 | | VP0 | | Name: | [(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid | | Formula: | C13 H15 N O3 | | SMILES: | O=C(O)CC1c2ccccc2CCN1C(C)=O | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid |
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 | | VP3 | | Name: | 4-(4-fluorophenyl)-4-oxobutanoic acid | | Formula: | C10 H9 F O3 | | SMILES: | O=C(CCC(=O)O)c1ccc(F)cc1 | | InChi: | 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) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-(4-fluorophenyl)-4-oxobutanoic acid |
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 | | VP8 | | Name: | (3-ethoxyphenyl)boronic acid | | Formula: | C8 H11 B O3 | | SMILES: | CCOc1cccc(c1)B(O)O | | InChi: | InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3-ethoxyphenyl)boronic acid |
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 | | VPE | | Name: | (3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid | | Formula: | C9 H12 N2 O3 S | | SMILES: | O=C(CC(C)CC(=O)O)Nc1nccs1 | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid |
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 | | VPK | | Name: | ethyl pyridin-3-ylcarbamate | | Formula: | C8 H10 N2 O2 | | SMILES: | O=C(OCC)Nc1cccnc1 | | InChi: | InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl pyridin-3-ylcarbamate |
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 | | VPW | | Name: | 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine | | Formula: | C11 H12 Cl N | | SMILES: | Clc1ccc(cc1)C1=CCNCC1 | | InChi: | InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine |
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 | | VQ2 | | Name: | [4-(diethylcarbamoyl)phenyl]boronic acid | | Formula: | C11 H16 B N O3 | | SMILES: | O=C(N(CC)CC)c1ccc(cc1)B(O)O | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [4-(diethylcarbamoyl)phenyl]boronic acid |
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 | | VQ6 | | Name: | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid | | Formula: | C11 H11 F2 N O2 | | SMILES: | OC(=O)C(NC1CC1)c1c(F)cccc1F | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid |
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 | | VQB | | Name: | 4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine | | Formula: | C8 H11 Cl N4 | | SMILES: | Nc1c(ncnc1Cl)N1CCCC1 | | InChi: | InChI=1S/C8H11ClN4/c9-7-6(10)8(12-5-11-7)13-3-1-2-4-13/h5H,1-4,10H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine |
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 | | VQF | | Name: | (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione | | Formula: | C9 H15 N3 O2 | | SMILES: | CN1C(=O)C(CCC)C(=N)N(C)C1=O | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione |
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 | | VQL | | Name: | (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine | | Formula: | C8 H9 N5 S2 | | SMILES: | Cc1nc(cs1)c1nc(SC)nc(N)n1 | | InChi: | 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) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine |
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 | | VQQ | | Name: | 2-(5-chloro-2-methoxyphenyl)ethan-1-amine | | Formula: | C9 H12 Cl N O | | SMILES: | COc1ccc(Cl)cc1CCN | | InChi: | InChI=1S/C9H12ClNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-(5-chloro-2-methoxyphenyl)ethan-1-amine |
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 | | VQU | | Name: | (2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid | | Formula: | C9 H10 N2 O2 S | | SMILES: | OC(=O)C1NC(SC1)c1cnccc1 | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid |
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 | | VQZ | | Name: | N-[2-(aminomethyl)phenyl]methanesulfonamide | | Formula: | C8 H12 N2 O2 S | | SMILES: | O=S(C)(=O)Nc1ccccc1CN | | InChi: | InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,6,9H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[2-(aminomethyl)phenyl]methanesulfonamide |
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 | | VR6 | | Name: | N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine | | Formula: | C12 H14 N2 O2 | | SMILES: | C(CNCc1ccco1)Oc1ccccn1 | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine |
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 | | VRC | | Name: | (4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one | | Formula: | C7 H8 N2 O3 | | SMILES: | O=N(=O)C1C=CC(=O)C(CN)=C1 | | InChi: | InChI=1S/C7H8N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,6H,4,8H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one |
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 | | VRH | | Name: | N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide | | Formula: | C11 H15 N O4 | | SMILES: | COc1cc(C)ccc1OCC(=O)NOC | | InChi: | 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) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide |
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 | | VRL | | Name: | methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate | | Formula: | C11 H13 N O3 | | SMILES: | O=C(OC)C1NCCc2cc(O)ccc12 | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate |
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 | | VRR | | Name: | ethyl N-benzyl-beta-alaninate | | Formula: | C12 H17 N O2 | | SMILES: | O=C(OCC)CCNCc1ccccc1 | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl N-benzyl-beta-alaninate |
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 | | VRY | | Name: | 1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole | | Formula: | C10 H10 Cl N3 O | | SMILES: | COc1cc(Cl)c(Cn2cncn2)cc1 | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole |
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 | | VS7 | | Name: | (2R)-1-(1H-indol-3-yl)propan-2-amine | | Formula: | C11 H14 N2 | | SMILES: | CC(N)Cc1c[NH]c2ccccc21 | | InChi: | 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 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-1-(1H-indol-3-yl)propan-2-amine |
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 | | VSL | | Name: | methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate | | Formula: | C9 H12 N2 O2 | | SMILES: | O=C(OC)c1[NH]nc2CCCCc12 | | InChi: | InChI=1S/C9H12N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate |
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 | | VSQ | | Name: | N~2~-phenylglycinamide | | Formula: | C8 H10 N2 O | | SMILES: | NC(=O)CNc1ccccc1 | | InChi: | InChI=1S/C8H10N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-5,10H,6H2,(H2,9,11) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~2~-phenylglycinamide |
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 | | VST | | Name: | (4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione | | Formula: | C10 H10 F N O3 S | | SMILES: | Fc1ccc2c(c1)C(/CCS2(=O)=O)=NOC | | InChi: | 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- | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione |
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 | | VSX | | Name: | N-(2-amino-5-chlorophenyl)acetamide | | Formula: | C8 H9 Cl N2 O | | SMILES: | Nc1ccc(Cl)cc1NC(C)=O | | InChi: | InChI=1S/C8H9ClN2O/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,10H2,1H3,(H,11,12) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-amino-5-chlorophenyl)acetamide |
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