 | | VCQ | | Name: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid | | Formula: | C13 H16 O3 | | SMILES: | OC(=O)[C](O)(C1CCCC1)c2ccccc2 | | InChi: | InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t13-/m1/s1 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid |
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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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 | | VCT | | Name: | ~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide | | Formula: | C16 H13 N O2 | | SMILES: | CN(C)C(=O)c1cccc2C(=O)c3ccccc3c12 | | InChi: | InChI=1S/C16H13NO2/c1-17(2)16(19)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)18/h3-9H,1-2H3 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide |
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 | | W8B | | Name: | 4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one | | Formula: | C8 H10 Cl N3 O2 | | SMILES: | ClC1=C(C=NNC1=O)N1CCOCC1 | | InChi: | InChI=1S/C8H10ClN3O2/c9-7-6(5-10-11-8(7)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,11,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one |
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 | | VD6 | | Name: | (2R)-1-benzylpiperidine-2-carboxylic acid | | Formula: | C13 H17 N O2 | | SMILES: | O=C(O)C1CCCCN1Cc1ccccc1 | | InChi: | InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)/t12-/m1/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-1-benzylpiperidine-2-carboxylic acid |
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 | | VDI | | Name: | 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid | | Formula: | C11 H11 Cl O2 | | SMILES: | OC(=O)C1(CCC1)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid |
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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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 | | VE0 | | Name: | N-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide | | Formula: | C11 H16 N4 O | | SMILES: | N=C(NO)c1cccnc1N1CCCCC1 | | InChi: | InChI=1S/C11H16N4O/c12-10(14-16)9-5-4-6-13-11(9)15-7-2-1-3-8-15/h4-6,16H,1-3,7-8H2,(H2,12,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide |
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 | | W98 | | Name: | N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide | | Formula: | C9 H13 N O2 S2 | | SMILES: | O=S(C)(=O)N(Cc1cccs1)C1CC1 | | InChi: | InChI=1S/C9H13NO2S2/c1-14(11,12)10(8-4-5-8)7-9-3-2-6-13-9/h2-3,6,8H,4-5,7H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide |
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 | | VE3 | | Name: | N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide | | Formula: | C9 H15 N3 O S | | SMILES: | O=C(c1snnc1CC)N(CC)CC | | InChi: | InChI=1S/C9H15N3OS/c1-4-7-8(14-11-10-7)9(13)12(5-2)6-3/h4-6H2,1-3H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide |
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 | | W9E | | Name: | N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide | | Formula: | C8 H7 F3 N2 O | | SMILES: | FC(F)(F)c1ccc(cc1)C(=N)NO | | InChi: | InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide |
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 | | VEC | | Name: | methyl N-(3-hydroxybenzoyl)-N-methylglycinate | | Formula: | C11 H13 N O4 | | SMILES: | O=C(c1cc(O)ccc1)N(C)CC(=O)OC | | InChi: | InChI=1S/C11H13NO4/c1-12(7-10(14)16-2)11(15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-(3-hydroxybenzoyl)-N-methylglycinate |
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 | | W9O | | Name: | N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine | | Formula: | C11 H24 N4 | | SMILES: | CNCC1CCCCC1CN1CNCN1 | | InChi: | InChI=1S/C11H24N4/c1-12-6-10-4-2-3-5-11(10)7-15-9-13-8-14-15/h10-14H,2-9H2,1H3/t10-,11+/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine |
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 | | W9U | | Name: | cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone | | Formula: | C12 H22 N2 O2 | | SMILES: | O=C(C1CCCCC1)N1CCC(NO)CC1 | | InChi: | InChI=1S/C12H22N2O2/c15-12(10-4-2-1-3-5-10)14-8-6-11(13-16)7-9-14/h10-11,13,16H,1-9H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone |
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 | | VTW | | Name: | 3-phenyl-1,2-oxazole-5-carboxylic acid | | Formula: | C10 H7 N O3 | | SMILES: | O=C(O)c1cc(no1)c1ccccc1 | | InChi: | InChI=1S/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-phenyl-1,2-oxazole-5-carboxylic acid |
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 | | WA0 | | Name: | (1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine | | Formula: | C11 H13 N3 | | SMILES: | NC(Cc1ncc[NH]1)c1ccccc1 | | InChi: | InChI=1S/C11H13N3/c12-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-7,10H,8,12H2,(H,13,14)/t10-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine |
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 | | UZ8 | | Name: | [2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone | | Formula: | C11 H14 N2 O S | | SMILES: | O=C(c1cccnc1SC)N1CCCC1 | | InChi: | InChI=1S/C11H14N2OS/c1-15-10-9(5-4-6-12-10)11(14)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone |
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 | | VEX | | Name: | (2,3,4-trimethoxyphenyl)methanol | | Formula: | C10 H14 O4 | | SMILES: | COc1c(OC)c(ccc1OC)CO | | InChi: | InChI=1S/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2,3,4-trimethoxyphenyl)methanol |
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 | | WA8 | | Name: | 2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide | | Formula: | C13 H16 N2 O2 | | SMILES: | O=C(CN1C=CC=CC1=O)N(CC=C)CC=C | | InChi: | InChI=1S/C13H16N2O2/c1-3-8-14(9-4-2)13(17)11-15-10-6-5-7-12(15)16/h3-7,10H,1-2,8-9,11H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide |
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 | | VF3 | | Name: | 4-(thiophene-2-sulfonyl)morpholine | | Formula: | C8 H11 N O3 S2 | | SMILES: | O=S(=O)(N1CCOCC1)c1cccs1 | | InChi: | InChI=1S/C8H11NO3S2/c10-14(11,8-2-1-7-13-8)9-3-5-12-6-4-9/h1-2,7H,3-6H2 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-(thiophene-2-sulfonyl)morpholine |
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 | | VF9 | | Name: | 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one | | Formula: | C12 H17 N O2 | | SMILES: | CC(=O)N1CCCCCC1c1ccco1 | | InChi: | InChI=1S/C12H17NO2/c1-10(14)13-8-4-2-3-6-11(13)12-7-5-9-15-12/h5,7,9,11H,2-4,6,8H2,1H3/t11-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one |
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 | | VUE | | Name: | 2-(4-chloro-2-nitroanilino)ethan-1-ol | | Formula: | C8 H9 Cl N2 O3 | | SMILES: | Clc1cc(c(NCCO)cc1)N(=O)=O | | InChi: | InChI=1S/C8H9ClN2O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-(4-chloro-2-nitroanilino)ethan-1-ol |
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 | | WAH | | Name: | N-ethyl-1-(4-fluorophenyl)methanesulfonamide | | Formula: | C9 H12 F N O2 S | | SMILES: | Fc1ccc(CS(=O)(=O)NCC)cc1 | | InChi: | InChI=1S/C9H12FNO2S/c1-2-11-14(12,13)7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-ethyl-1-(4-fluorophenyl)methanesulfonamide |
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 | | VUI | | Name: | 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene | | Formula: | C9 H10 Br N O4 | | SMILES: | Brc1cc(c(OCCOC)cc1)N(=O)=O | | InChi: | InChI=1S/C9H10BrNO4/c1-14-4-5-15-9-3-2-7(10)6-8(9)11(12)13/h2-3,6H,4-5H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene |
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 | | WAO | | Name: | 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | | Formula: | C10 H9 Cl F N3 O | | SMILES: | Fc1ccc(cc1Cl)CN1N=CN(C)C1=O | | InChi: | InChI=1S/C10H9ClFN3O/c1-14-6-13-15(10(14)16)5-7-2-3-9(12)8(11)4-7/h2-4,6H,5H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
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