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    OH HO O H 3 C O
    A6L
    Name:2,3-dihydroxypropyl (9Z)-octadec-9-enoate
    Formula:C21 H40 O4
    SMILES:C(C(OCC(CO)O)=O)CCCCCC\C=C/CCCCCCCC
    InChi: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-
    Synonyms:monoolein
    Definition date:2018-10-02
    Last modified:2019-02-08
    Identifier:2,3-dihydroxypropyl (9Z)-octadec-9-enoate
    F F F N NH O OH O Cl O HN CH 3 H 3 C CH 3
    B5K
    Name: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
    Formula:C23 H21 Cl F3 N3 O4
    SMILES:CC(C)(C)NC(=O)[CH](N(Cc1cc(F)c(F)c(F)c1)C=O)c2c([nH]c3cc(Cl)ccc23)C(O)=O
    InChi: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
    Definition date:2017-09-15
    Last modified:2019-02-08
    Identifier: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
    OH H 2 N CH 3 CH 3 N O H 2 N O
    B8R
    Name:(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
    Formula:C13 H27 N3 O3
    SMILES:C(C(CCCCCCCC(N)C(=O)N(C)C)N)(=O)O
    InChi: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
    Definition date:2019-01-22
    Last modified:2019-02-08
    Identifier:(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
    N H CH 3 NH 2 O HO
    E95
    Name:7-Methyl-L-Tryptophan
    Formula:C12 H14 N2 O2
    SMILES:Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12
    InChi: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
    Definition date:2018-03-06
    Last modified:2019-02-08
    Identifier:(2~{S})-2-azanyl-3-(7-methyl-1~{H}-indol-3-yl)propanoic acid
    O O N CH 3 N H N HO O
    EDK
    Name:(2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid
    Formula:C30 H29 N3 O4
    SMILES:CN(CCOc1ccc(C[CH](Nc2ccccc2C(=O)c3ccccc3)C(O)=O)cc1)c4ccccn4
    InChi: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
    Definition date:2018-03-15
    Last modified:2019-02-08
    Identifier:(2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid
    S O O OH O O N H N N N N CH 3 CH 3
    EUY
    Name:(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
    Formula:C19 H21 N5 O5 S
    SMILES:C3(C=C(c1ccc(cc1)n2nccn2)C=CN3CCC(C)(S(C)(=O)=O)C(NO)=O)=O
    InChi: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
    Definition date:2018-02-02
    Last modified:2019-02-08
    Identifier:(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
    N N N N O N N H 3 C O H 3 C N H O N N
    EZ7
    Name: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
    Formula:C28 H27 N9 O3
    SMILES:c2c(cc1nc(oc1c2)c3ccnc(c3)C(N4CCN(CC4)C(c5ccccc5)c6nnn(n6)C)=O)NC(C)=O
    InChi: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
    Definition date:2018-02-14
    Last modified:2019-02-08
    Identifier: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
    N N N H O N H O Cl Cl N N N H 3 C O H 3 C N N CH 3
    FNB
    Name: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
    Formula:C19 H19 Cl2 N9 O3
    SMILES:CO[CH](C)[CH](OC)c1n2nc(Cl)cc2ncc1NC(=O)Nc3cnc(n4nccn4)c(Cl)c3
    InChi: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
    Definition date:2018-07-20
    Last modified:2019-02-08
    Identifier: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
    CH 3 H 3 C CH 3 H 3 C OH
    FOH
    Name:(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
    Formula:C15 H26 O
    SMILES:C/C(C)=C/CC\C(=C/CCC(C)=[C@H]CO)C
    InChi: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-
    Synonyms:cis,cis-Farnesol
    Definition date:1999-12-08
    Last modified:2019-02-08
    Identifier:(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
    OH O O O H 3 C
    FWN
    Name:2-[2-(2-ethoxyethoxy)ethoxy]ethanol
    Formula:C8 H18 O4
    SMILES:CCOCCOCCOCCO
    InChi:InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3
    Definition date:2018-08-08
    Last modified:2019-02-08
    Identifier:2-[2-(2-ethoxyethoxy)ethoxy]ethanol
    HO S S S S S S HO O OH OH OH HO O O O _ O _ O O O _ O O O _ O O _ O O O O _ O
    FWQ
    Name:p-sulfonatocalix[6]arene
    Formula:C42 H30 O24 S6
    SMILES: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
    InChi: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
    Definition date:2018-08-08
    Last modified:2019-02-08
    OH S S S S S S S S HO HO O OH OH HO HO HO O _ O O O O O _ O O _ O O _ O O O O _ O O _ O O _ O O O O _ O
    FWT
    Name:p-sulfonatocalix[8]arene
    Formula:C56 H40 O32 S8
    SMILES: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
    InChi: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
    Definition date:2018-08-08
    Last modified:2019-02-08
    S N NH N O O
    HNJ
    Name:3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione
    Formula:C17 H17 N3 O2 S
    SMILES:C1CN(CC1)c2c(cccc2)NC=4c3c(cccc3)S(=O)(=O)N=4
    InChi: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)
    Synonyms:(3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester
    Definition date:2018-07-16
    Last modified:2019-02-08
    Identifier:3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione
    N N S Br
    HO7
    Name:(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
    Formula:C11 H11 Br N2 S
    SMILES:c3c(C2CN1CCSC1=N2)ccc(c3)Br
    InChi: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
    Definition date:2018-07-16
    Last modified:2019-02-08
    Identifier:(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
    CH 3 OH HO H 2 C CH 3 CH 3
    HVD
    Name:(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
    Formula:C21 H30 O2
    SMILES:C=1(CCC(C(C=1)c2c(CCCCC)cc(cc2O)O)\C(=C)C)C
    InChi: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
    Definition date:2018-07-23
    Last modified:2019-02-08
    Identifier:(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
    OH HO CH 3 CH 2 CH 3 H 3 C
    HVJ
    Name:(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
    Formula:C17 H22 O2
    SMILES:c1(C)c(c(O)cc(c1)O)C2C(C(/C)=C)CCC(C)=C2
    InChi: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
    Definition date:2018-07-24
    Last modified:2019-02-08
    Identifier:(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
    O N O S N N N H O CH 3
    J87
    Name:N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
    Formula:C20 H20 N4 O3 S
    SMILES:c4(c1cnccc1)ncc(C(Nc2c(cc(cc2)N3CCOCC3)OC)=O)s4
    InChi: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)
    Definition date:2018-08-22
    Last modified:2019-02-08
    Identifier:N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
    S N NH 2 N N N H F F F CH 3 O
    JE1
    Name:2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one
    Formula:C17 H20 F3 N5 O S
    SMILES:C2(C(Sc1c(C(F)(F)F)nccc1)=CN=C(N2)N3CCC(CN)(C)CC3)=O
    InChi: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)
    Definition date:2018-09-05
    Last modified:2019-02-08
    Identifier:2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one
    Cl Cl N N H NH 2 N N N CH 3 CH 3 O
    JE4
    Name:6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    Formula:C18 H20 Cl2 N6 O
    SMILES:c13c(nnc1c2c(c(Cl)ccc2)Cl)N=C(N(C3=O)C)N4CCC(C)(CC4)N
    InChi: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)
    Definition date:2018-09-05
    Last modified:2019-02-08
    Identifier:6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    Cl Cl S N N H N H 2 N
    JE7
    Name:5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine
    Formula:C12 H8 Cl2 N4 S
    SMILES:c12nc(ccc1nc(n2)N)Sc3c(Cl)c(Cl)ccc3
    InChi: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)
    Definition date:2018-09-05
    Last modified:2019-02-08
    Identifier:5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine
    N N N H 2 N N H N N NH Cl O O H 3 C CH 3
    JEA
    Name: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
    Formula:C23 H29 Cl N8 O2
    SMILES:c12nnc(c1C(=O)N(C)C(=N2)N4CCC3(C(C(OC3)C)N)CC4)c5ccnc(c5Cl)NC6CC6
    InChi: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
    Definition date:2018-09-05
    Last modified:2019-02-08
    Identifier: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
    Br N N H N CH 3 O OH
    JED
    Name:3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
    Formula:C20 H14 Br N3 O2
    SMILES:c13c(nnc1c2ccc(Br)cc2)nc(cc3C(O)=O)c4ccc(C)cc4
    InChi: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)
    Definition date:2018-09-05
    Last modified:2019-02-08
    Identifier:3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
    CH 3 Cl N N N H 3 C CH 3 O O
    JEJ
    Name:3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one
    Formula:C22 H20 Cl N3 O2
    SMILES:c1cccc(c1Cl)c2c4c(on2)C=C(c3ccc(cc3)CN(C)C)N(C)C4=O
    InChi: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
    Definition date:2018-09-05
    Last modified:2019-02-08
    Identifier:3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one
    CH 3 H 3 C N H HO O
    K6V
    Name:N-[(2S)-1-hydroxypropan-2-yl]butanamide
    Formula:C7 H15 N O2
    SMILES:C(C(C)NC(CCC)=O)O
    InChi: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
    Definition date:2018-11-02
    Last modified:2019-02-08
    Identifier:N-[(2S)-1-hydroxypropan-2-yl]butanamide
    N H 3 C O N O O CH 3 N N CH 3 N N H 3 C
    KS7
    Name: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
    Formula:C25 H32 N6 O3
    SMILES:COc1cc(cc(c1)OC)c5noc(N2CCN(C4(C2)CCN(c3cc(ncc3)C)CC4)C)n5
    InChi: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
    Definition date:2019-01-11
    Last modified:2019-02-08
    Identifier: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