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    HO HO OH O HO OH O O OH OH O Mo Mo Mo Mo Mo Mo Mo Mo Mo O O HO O HO HO O HO OH OH O O HO OH HO O HO OH O O
    J7T
    Name:molybdate cluster
    Formula:Mo9 O31
    SMILES: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
    InChi:InChI=1S/9Mo.18H2O.13O/h
    Definition date:2019-02-09
    Last modified:2019-02-15
    Mo Mo Mo Mo Mo HO HO O OH OH OH HO O OH O OH
    J85
    Name:[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum
    Formula:H3 Mo5 O11
    SMILES:O.O.O.O.O.[Mo].O[Mo]O[Mo]O.O[Mo]O[Mo]=O
    InChi:InChI=1S/5Mo.8H2O.3O/h
    Definition date:2019-02-09
    Last modified:2019-02-15
    Identifier:[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum
    O O HN N S F F F N N N H HN
    J8A
    Name:3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
    Formula:C29 H27 F3 N6 O2 S
    SMILES:c1cc(cc(c1)C(Nc3ccc(CN2CCNCC2)c(c3)C(F)(F)F)=O)c5ccc6nc(NC(=O)C4CC4)sc6n5
    InChi: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)
    Definition date:2018-08-22
    Last modified:2019-02-15
    Identifier:3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
    O HO HO O OH O O OH HO O HO HO HO O O O HO Mo Mo OH Mo O Mo O Mo O OH HO Mo O Mo HO Mo HO
    J8B
    Name:Molybdate cluster
    Formula:Mo8 O26
    SMILES: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
    InChi:InChI=1S/8Mo.14H2O.12O/h
    Definition date:2019-02-09
    Last modified:2019-02-15
    O HO OH OH O O OH HO HO HO Mo Mo Mo Mo
    J8E
    Name: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
    Formula:H2 Mo4 O10
    SMILES:O.O.O.O.O.O[Mo]O[Mo]O[Mo]O[Mo]O
    InChi:InChI=1S/4Mo.7H2O.3O/h
    Definition date:2019-02-09
    Last modified:2019-02-15
    Identifier: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
    S Cl N N H H 3 C O
    JR7
    Name:N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
    Formula:C12 H11 Cl N2 O S
    SMILES:C(C)C(=O)Nc1scc(n1)c2ccc(Cl)cc2
    InChi: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)
    Definition date:2018-09-18
    Last modified:2019-02-15
    Identifier:N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
    N S O CH 3 N O N H 3 C
    JRD
    Name:N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
    Formula:C17 H17 N3 O2 S
    SMILES:O=C(N(c2scc(c1ccccc1)n2)Cc3onc(C)c3)CC
    InChi: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
    Definition date:2018-09-18
    Last modified:2019-02-15
    Identifier:N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
    H 3 C O O S N O N CH 3
    JRM
    Name:methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate
    Formula:C15 H16 N2 O3 S
    SMILES:n1c(N(CC(=O)OC)C(CC)=O)scc1c2ccccc2
    InChi: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
    Definition date:2018-09-18
    Last modified:2019-02-15
    Identifier:methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate
    OH O O O O CH 3 CH 3 CH 3 N H CH 3
    KSD
    Name:N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine
    Formula:C26 H29 N O5
    SMILES:c3cc(COc1cc(OC)c(c(c1)OC)CNC(C(=O)O)C)c(C)c(c2ccccc2)c3
    InChi: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
    Definition date:2019-01-11
    Last modified:2019-02-15
    Identifier:N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine
    N O O N O N OH
    KUA
    Name:{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone
    Formula:C22 H21 N3 O4
    SMILES:C1N(CCN(C1)C(c4ccc(c3nc2c(cccc2)o3)cc4)=O)C(C5(CC5)O)=O
    InChi: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
    Definition date:2019-01-15
    Last modified:2019-02-15
    Identifier:{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone
    O O H 2 N N H F H 3 C
    KW7
    Name:methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate
    Formula:C12 H11 F N2 O2
    SMILES:c2c(c1cnc(C(=O)OC)c1N)c(F)ccc2
    InChi: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
    Definition date:2019-01-18
    Last modified:2019-02-15
    Identifier:methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate
    H 3 C N H O Cl Cl
    KWA
    Name:1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine
    Formula:C12 H11 Cl2 N O
    SMILES:c2(cc(c1ccc(CNC)o1)cc(c2)Cl)Cl
    InChi: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
    Definition date:2019-01-18
    Last modified:2019-02-15
    Identifier:1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine
    N N N H NH O N H O HC N N HC H 3 C
    KWJ
    Name:(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
    Formula:C20 H17 N7 O2
    SMILES:C4(=O)C(C)N(CC#C)c3nc(Nc1cc2c(cc1)C(=O)NN2)ncc3N4CC#C
    InChi: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
    Definition date:2019-01-21
    Last modified:2019-02-15
    Identifier:(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
    O _ O + N OH N O N H
    KX7
    Name:Icilin
    Formula:C16 H13 N3 O4
    SMILES:C1C=C(NC(N1c2ccccc2O)=O)c3cc(ccc3)[N+]([O-])=O
    InChi: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)
    Synonyms:3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one
    Definition date:2019-01-23
    Last modified:2019-02-15
    Identifier:3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one
    CH 3 O CH 3 OH O OH O O O O OH P P P O O HO O OH HO O O OH HO
    KXP
    Name:(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
    Formula:C47 H85 O19 P3
    SMILES: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)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC
    InChi: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
    Definition date:2019-01-23
    Last modified:2019-02-15
    Identifier:(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
    O O N H CH 3 H 3 C CH 3 CH 3
    KXS
    Name:(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
    Formula:C18 H27 N O2
    SMILES:c1c(ccc(c1)OC)NC(C2C(CCC(C)C2)C(C)C)=O
    InChi: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
    Definition date:2019-01-23
    Last modified:2019-02-15
    Identifier:(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
    O O HO HO O OH OH OH O O OH O H 3 C OH H 3 C H 3 C OH OH OH OH OH HO HO HO O O OH O O HO H 3 C O O
    L0A
    Name:Digitonin
    Formula:C56 H92 O29
    SMILES: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
    InChi: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
    Synonyms:(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->
    Definition date:2019-01-29
    Last modified:2019-02-15
    Identifier:(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
    NH 2 CH 3 SeH O HO
    T9E
    Name:Selenothreonine
    Formula:C4 H9 N O2 Se
    SMILES:C[CH]([SeH])[CH](N)C(O)=O
    InChi:InChI=1S/C4H9NO2Se/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1
    Definition date:2018-02-17
    Last modified:2019-02-15
    Identifier:(2~{R},3~{R})-2-azanyl-3-selanyl-butanoic acid
    O CH 3 H 3 C H 3 C O CH 3 NH 2
    XD4
    Name:[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate
    Formula:C18 H25 N O2
    SMILES:Cc1cc(ccc1N)C(=O)O[CH]2C[CH]3CC[C]2(C)C3(C)C
    InChi: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
    Definition date:2017-08-10
    Last modified:2019-02-15
    Identifier:[(1~{R},2~{R},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate
    O O NH 2
    XD5
    Name:[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
    Formula:C14 H17 N O2
    SMILES:Nc1ccc(cc1)C(=O)O[CH]2C[CH]3CC[CH]2C3
    InChi: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
    Definition date:2017-08-10
    Last modified:2019-02-15
    Identifier:[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
    OH HO O O P O OH O N N N NH 2 N OH HO O O OH O O P OH O O P HO O
    6KB
    Name: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
    Formula:C19 H30 N5 O19 P3
    SMILES: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
    InChi: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
    Definition date:2016-04-21
    Last modified:2019-02-11
    Identifier: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)
    H 3 C H 2 C CH 3 CH 3 OH OH
    8CB
    Name:(1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
    Formula:C17 H22 O2
    SMILES:Oc2c(C1C(CCC(=C1)C)/C(C)=C)c(O)cc(c2)C
    InChi: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
    Synonyms:cannabidiorcin, CBDO
    Definition date:2018-07-26
    Last modified:2019-02-08
    Identifier:(1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
    HO O OH O S
    8X3
    Name:2-hydroxyethylsulfonic acid
    Formula:C2 H6 O4 S
    SMILES:OCC[S](O)(=O)=O
    InChi:InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
    Synonyms:2-oxidanylethanesulfonic acid
    Definition date:2017-10-30
    Last modified:2019-02-08
    Identifier:2-oxidanylethanesulfonic acid
    CH 3 N H N N H CH 3 N N N N
    9A6
    Name:7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine
    Formula:C25 H27 N7
    SMILES:CN1CCN(CC1)c3cc4nc([C@H]=Cc2ccccc2)nc(c4cc3)Nc5cc(nn5)C
    InChi: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+
    Definition date:2018-02-13
    Last modified:2019-02-08
    Identifier:7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine
    2+ Pt N H N H
    9RD
    Name:(cyclohex-1-ene-1,2-diamine)platinum(2+)
    Formula:C6 H12 N2 Pt
    SMILES:[Pt+2]1[nH+]c2c([nH+]1)CCCC2
    InChi:InChI=1S/C6H12N2.Pt/c7-5-3-1-2-4-6(5)8
    Definition date:2017-06-02
    Last modified:2019-02-08
    Identifier:(cyclohex-1-ene-1,2-diamine-kappa~2~N,N')platinum(4+)