 | | BZ0 | | Name: | N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide | | Formula: | C18 H16 N4 O3 | | SMILES: | O=C(c1ccccc1)NC2=C(N)N(C(=O)NC2=O)Cc3ccccc3 | | InChi: | 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) | | Definition date: | 2012-07-18 | | Last modified: | 2014-09-05 | | Release date: | 2013-05-29 | | Identifier: | N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide |
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 | | BZ5 | | Name: | (1R,2R,4S,5R)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid | | Formula: | C16 H16 O6 S | | SMILES: | O=C(O)C1(O)CC(O)C(O)C(=O)C1Cc3cc2c(scc2)cc3 | | InChi: | 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 | | Definition date: | 2012-08-14 | | Last modified: | 2014-09-05 | | Release date: | 2012-12-14 | | Identifier: | (1R,2R,4S,5R)-2-(1-benzothiophen-5-ylmethyl)-1,4,5-trihydroxy-3-oxocyclohexanecarboxylic acid |
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 | | C1V | | Name: | 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile | | Formula: | C20 H12 N2 O3 S | | SMILES: | N#CC4=C(O)c1c(scc1c3ccc(c2ccccc2O)cc3)NC4=O | | InChi: | 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) | | Definition date: | 2013-11-14 | | Last modified: | 2014-09-05 | | Release date: | 2013-12-25 | | Identifier: | 4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile |
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 | | C2T | | Name: | 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid | | Formula: | C7 H17 N2 O2 | | SMILES: | O=C(O)CCN[N+](C)(C)CC | | InChi: | InChI=1S/C7H16N2O2/c1-4-9(2,3)8-6-5-7(10)11/h8H,4-6H2,1-3H3/p+1 | | Definition date: | 2013-04-02 | | Last modified: | 2014-09-05 | | Release date: | 2014-04-16 | | Identifier: | 2-(2-carboxyethyl)-1-ethyl-1,1-dimethylhydrazinium |
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 | | C3F | | Name: | 3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid | | Formula: | C16 H17 N5 O4 | | SMILES: | O=C(O)NCCCN2C3=NC(=O)NC(=O)C3=Nc1cc(c(cc12)C)C | | InChi: | 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) | | Definition date: | 2012-07-16 | | Last modified: | 2014-09-05 | | Release date: | 2013-05-29 | | Identifier: | [3-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)propyl]carbamic acid |
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 | | C54 | | Name: | (1R)-cyclopent-2-ene-1-carboxylic acid | | Formula: | C6 H8 O2 | | SMILES: | O=C(O)C1C=CCC1 | | InChi: | InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)/t5-/m0/s1 | | Definition date: | 2012-03-15 | | Last modified: | 2014-09-05 | | Identifier: | (1R)-cyclopent-2-ene-1-carboxylic acid |
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 | | C56 | | Name: | 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE | | Formula: | C17 H26 N4 O4 | | SMILES: | [O-][N+](=O)c1cc(c(OC)cc1N(C)C)C(=O)NCC2N(CC)CCC2 | | InChi: | 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 | | Definition date: | 2011-09-22 | | Last modified: | 2014-09-05 | | Identifier: | 4-(dimethylamino)-N-{[(2R)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide |
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 | | C57 | | Name: | 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE | | Formula: | C17 H26 N4 O4 | | SMILES: | [O-][N+](=O)c1cc(c(OC)cc1N(C)C)C(=O)NCC2N(CC)CCC2 | | InChi: | 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 | | Definition date: | 2011-09-22 | | Last modified: | 2014-09-05 | | Identifier: | 4-(dimethylamino)-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide |
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 | | 04N | | Name: | 2-amino-2-deoxy-4,6-O-(phenylmethylidene)-alpha-D-glucopyranose | | Formula: | C13 H17 N O5 | | SMILES: | O1C(O)C(N)C(O)C2OC(OCC12)c3ccccc3 | | InChi: | 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 | | Definition date: | 2012-07-26 | | Last modified: | 2014-09-05 | | Release date: | 2013-08-07 | | Identifier: | 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranose |
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 | | 04O | | Name: | 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranose | | Formula: | C15 H21 N O5 | | SMILES: | O1C(O)C(N)C(O)C2OC(OCC12)CCc3ccccc3 | | InChi: | 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 | | Definition date: | 2012-07-26 | | Last modified: | 2014-09-05 | | Release date: | 2013-08-07 | | Identifier: | 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranose |
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 | | 056 | | Name: | 3-[(2,4-DICHLOROPHENYL)METHYLSULFANYLMETHYL]BENZOIC ACID | | Formula: | C15 H12 Cl2 O2 S | | SMILES: | Clc1cc(Cl)ccc1CSCc2cccc(C(=O)O)c2 | | InChi: | 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) | | Definition date: | 2011-06-04 | | Last modified: | 2014-09-05 | | Identifier: | 3-{[(2,4-dichlorobenzyl)sulfanyl]methyl}benzoic acid |
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 | | 05R | | Name: | 2-(3,4-dichlorophenyl)ethanoic acid | | Formula: | C8 H6 Cl2 O2 | | SMILES: | Clc1ccc(cc1Cl)CC(=O)O | | InChi: | InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12) | | Definition date: | 2012-10-26 | | Last modified: | 2014-09-05 | | Release date: | 2013-03-27 | | Identifier: | (3,4-dichlorophenyl)acetic acid |
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 | | 08C | | Name: | 2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one | | Formula: | C15 H12 N2 O2 | | SMILES: | O=C2c3ccccc3N=C(c1ccc(OC)cc1)N2 | | InChi: | 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) | | Definition date: | 2013-06-20 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-30 | | Identifier: | 2-(4-methoxyphenyl)quinazolin-4(3H)-one |
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 | | 0BT | | Name: | 1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione | | Formula: | C17 H18 I N2 O8 P | | SMILES: | O=C1C(=CN(C(=O)N1)C4OC2C(OC(OC2)(c3ccc(I)cc3)P(=O)(O)O)C4)C | | InChi: | 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 | | Definition date: | 2011-11-21 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | 1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | E41 | | Name: | N-hydroxy-N^2^-(3-methylbutyl)-N^2^-(naphthalen-2-ylsulfonyl)-D-valinamide | | Formula: | C20 H28 N2 O4 S | | SMILES: | O=C(NO)C(N(CCC(C)C)S(=O)(=O)c2ccc1c(cccc1)c2)C(C)C | | InChi: | 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 | | Definition date: | 2011-08-10 | | Last modified: | 2014-09-05 | | Identifier: | N-hydroxy-N~2~-(3-methylbutyl)-N~2~-(naphthalen-2-ylsulfonyl)-D-valinamide |
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 | | E46 | | Name: | N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Formula: | C18 H19 F3 N6 O | | SMILES: | FC(F)(F)Oc1cccc(c1)n3nnc2ccc(nc23)NCC4CCNCC4 | | InChi: | 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) | | Definition date: | 2011-11-12 | | Last modified: | 2014-09-05 | | Identifier: | N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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 | | E4F | | Name: | 5-[[(1R,2S)-2-(5-azanylpentanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid | | Formula: | C23 H26 N2 O5 | | SMILES: | O=C(NC2Cc1ccccc1C2Cc3ccc4OCOc4c3C(=O)O)CCCCN | | InChi: | 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 | | Definition date: | 2013-12-19 | | Last modified: | 2014-09-05 | | Release date: | 2014-01-08 | | Identifier: | 5-({(1R,2S)-2-[(5-aminopentanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-1,3-benzodioxole-4-carboxylic acid |
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 | | 4V2 | | Name: | 3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL | | Formula: | C8 H6 N2 O2 S | | SMILES: | Sc1nnc(o1)c2cc(O)ccc2 | | InChi: | InChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13) | | Definition date: | 2011-12-10 | | Last modified: | 2014-09-05 | | Release date: | 2012-09-21 | | Identifier: | 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenol |
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 | | 4VA | | Name: | (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium | | Formula: | C19 H23 Cl F N2 O2 | | SMILES: | Clc2ccc(c(F)c2Oc1ccccc1)C([NH2+]C(C)CC(=O)N)CC | | InChi: | 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 | | Definition date: | 2012-08-16 | | Last modified: | 2014-09-05 | | Release date: | 2012-09-28 | | Identifier: | (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium |
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 | | 4VW | | Name: | 5-[(2S)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid | | Formula: | C22 H26 N2 O5 | | SMILES: | O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)c3ccc(N)cc3 | | InChi: | 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 | | Definition date: | 2013-12-19 | | Last modified: | 2014-09-05 | | Release date: | 2014-01-08 | | Identifier: | 5-[(2S)-2-{[(4-aminobenzoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid |
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 | | 4WF | | Name: | 5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione | | Formula: | C11 H11 N3 O3 | | SMILES: | O=C1C(=C(O)N(C(=O)N1)Cc2ccccc2)N | | InChi: | 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) | | Definition date: | 2012-04-27 | | Last modified: | 2014-09-05 | | Release date: | 2012-10-26 | | Identifier: | 5-amino-1-benzyl-6-hydroxypyrimidine-2,4(1H,3H)-dione |
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 | | 4WL | | Name: | 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID | | Formula: | C7 H5 N O2 S | | SMILES: | O=C(O)c2cc1sccc1n2 | | InChi: | InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10) | | Definition date: | 2013-02-15 | | Last modified: | 2014-09-05 | | Release date: | 2013-05-15 | | Identifier: | 4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
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 | | 4ZY | | Name: | 4-(aminomethyl)aniline | | Formula: | C7 H10 N2 | | SMILES: | NCc1ccc(N)cc1 | | InChi: | InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2 | | Definition date: | 2013-05-15 | | Last modified: | 2014-09-05 | | Release date: | 2014-05-28 | | Identifier: | 4-(aminomethyl)aniline |
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 | | EF2 | | Name: | S-Thalidomide | | Formula: | C13 H10 N2 O4 | | SMILES: | O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O | | InChi: | 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 | | Definition date: | 2013-12-05 | | Last modified: | 2014-09-05 | | Release date: | 2014-07-16 | | Identifier: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione |
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 | | 5EY | | Name: | (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 | | Formula: | C22 H20 O7 | | SMILES: | O=C(O)c1c(ccc2OCC(Oc12)CCC(=O)O)/C=C4c3ccccc3CC4O | | InChi: | 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 | | Definition date: | 2013-11-14 | | Last modified: | 2014-09-05 | | Release date: | 2013-11-27 | | Identifier: | (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 |
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