 | | JKJ | | Name: | (1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol | | Formula: | C10 H19 N O4 S | | SMILES: | COCC1C2(CCC(N1S(=O)(C)=O)CC2)O | | InChi: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol |
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 | | JKP | | Name: | 2,6-dichloropyridine-4-carboxylic acid | | Formula: | C6 H3 Cl2 N O2 | | SMILES: | OC(c1cc(nc(c1)Cl)Cl)=O | | InChi: | InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 2,6-dichloropyridine-4-carboxylic acid |
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 | | JKS | | Name: | 5-(pyrrolidin-1-yl)pyridine-2-carbonitrile | | Formula: | C10 H11 N3 | | SMILES: | C1CCCN1c2ccc(C#N)nc2 | | InChi: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 5-(pyrrolidin-1-yl)pyridine-2-carbonitrile |
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 | | JKV | | Name: | 3-(4-chlorophenyl)-1H-pyrazol-5-amine | | Formula: | C9 H8 Cl N3 | | SMILES: | c1(Cl)ccc(cc1)c2cc(N)nn2 | | InChi: | InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 3-(4-chlorophenyl)-1H-pyrazol-5-amine |
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 | | JKY | | Name: | N-[(4-chlorophenyl)methyl]methanesulfonamide | | Formula: | C8 H10 Cl N O2 S | | SMILES: | c1(ccc(cc1)CNS(C)(=O)=O)Cl | | InChi: | InChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-[(4-chlorophenyl)methyl]methanesulfonamide |
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 | | JL1 | | Name: | 2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid | | Formula: | C13 H11 N O2 S | | SMILES: | c2cnc(Sc1ccc(cc1)C)c(C(=O)O)c2 | | InChi: | 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) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid |
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 | | JL7 | | Name: | 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid | | Formula: | C11 H6 F3 N O2 S | | SMILES: | c1cc(ccc1c2scc(C(=O)O)n2)C(F)(F)F | | InChi: | 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) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid |
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 | | JLA | | Name: | 4-(piperidin-1-yl)benzoic acid | | Formula: | C12 H15 N O2 | | SMILES: | C1CCN(CC1)c2ccc(C(=O)O)cc2 | | InChi: | 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) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-(piperidin-1-yl)benzoic acid |
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 | | JLD | | Name: | [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol | | Formula: | C13 H18 F N O | | SMILES: | c2(C1CCN(C)CC1CO)ccc(cc2)F | | InChi: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol |
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 | | JLG | | Name: | 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid | | Formula: | C8 H5 N O2 S2 | | SMILES: | c2c(c1scc(C(=O)O)n1)scc2 | | InChi: | InChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid |
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 | | JLM | | Name: | 3-methyl-1-benzofuran-2-carboxylic acid | | Formula: | C10 H8 O3 | | SMILES: | c12c(C)c(C(O)=O)oc1cccc2 | | InChi: | InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 3-methyl-1-benzofuran-2-carboxylic acid |
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 | | JLV | | Name: | N-cyclohexyl-N'-methylthiourea | | Formula: | C8 H16 N2 S | | SMILES: | C1CCCC(NC(NC)=S)C1 | | InChi: | InChI=1S/C8H16N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-cyclohexyl-N'-methylthiourea |
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 | | JMA | | Name: | 4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol | | Formula: | C11 H12 Cl2 N2 O | | SMILES: | c1c(c(Cl)cc2n(CCCCO)cnc12)Cl | | InChi: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol |
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 | | JMD | | Name: | 4-(2-hydroxyethyl)benzonitrile | | Formula: | C9 H9 N O | | SMILES: | C(c1ccc(CCO)cc1)#N | | InChi: | InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-(2-hydroxyethyl)benzonitrile |
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 | | JMG | | Name: | 5-phenylthiophene-2-carboxylic acid | | Formula: | C11 H8 O2 S | | SMILES: | c2c(c1ccc(C(O)=O)s1)cccc2 | | InChi: | InChI=1S/C11H8O2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 5-phenylthiophene-2-carboxylic acid |
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 | | JMJ | | Name: | N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide | | Formula: | C8 H7 N3 O2 S2 | | SMILES: | c2coc(C(Nc1nnc(SC)s1)=O)c2 | | InChi: | 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) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide |
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 | | JMM | | Name: | [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone | | Formula: | C13 H16 N2 O3 | | SMILES: | C3N(C(=O)C1CC1)CCN(C(c2ccco2)=O)C3 | | InChi: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone |
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 | | JMV | | Name: | (3-chlorophenoxy)acetic acid | | Formula: | C8 H7 Cl O3 | | SMILES: | c1(cc(OCC(O)=O)ccc1)Cl | | InChi: | InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (3-chlorophenoxy)acetic acid |
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 | | JMY | | Name: | 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 | | Formula: | C13 H14 F N O3 | | SMILES: | c1cc(c2c(c1)C3N(C(C)=O)CC(C3O2)CO)F | | InChi: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 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 |
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 | | JN1 | | Name: | (6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione | | Formula: | C10 H10 N2 O3 S | | SMILES: | c3ccc2c(C1CN(CC(=O)N1)S2(=O)=O)c3 | | InChi: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione |
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 | | JNA | | Name: | N-[(thiophen-2-yl)methyl]benzenesulfonamide | | Formula: | C11 H11 N O2 S2 | | SMILES: | c2cc(S(=O)(=O)NCc1sccc1)ccc2 | | InChi: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-[(thiophen-2-yl)methyl]benzenesulfonamide |
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 | | JND | | Name: | 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one | | Formula: | C8 H8 N2 O S | | SMILES: | CCc2cc1C(NC=Nc1s2)=O | | InChi: | 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) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one |
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 | | JNG | | Name: | [(4-chlorophenyl)sulfanyl]acetic acid | | Formula: | C8 H7 Cl O2 S | | SMILES: | O=C(O)CSc1ccc(Cl)cc1 | | InChi: | InChI=1S/C8H7ClO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | [(4-chlorophenyl)sulfanyl]acetic acid |
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 | | JNM | | Name: | 1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one | | Formula: | C11 H14 O3 | | SMILES: | C(=O)(C)c1c(O)c(CCC)ccc1O | | InChi: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one |
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 | | JNP | | Name: | 7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one | | Formula: | C11 H12 O3 | | SMILES: | c2(O)cc1OC(C)(C)CC(c1cc2)=O | | InChi: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one |
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