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JL4
JL4
表記:5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
組成式:C9 H7 N O2 S2
SMILES:c2(ccc(c1nc(C)sc1)s2)C(=O)O
InChi:InChI=1S/C9H7NO2S2/c1-5-10-6(4-13-5)7-2-3-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
JL7
JL7
表記:2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
組成式: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)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
JLA
JLA
表記:4-(piperidin-1-yl)benzoic acid
組成式: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)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-(piperidin-1-yl)benzoic acid
JLD
JLD
表記:[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
組成式: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
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
JLG
JLG
表記:2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
組成式: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)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
JLM
JLM
表記:3-methyl-1-benzofuran-2-carboxylic acid
組成式: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)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:3-methyl-1-benzofuran-2-carboxylic acid
JLV
JLV
表記:N-cyclohexyl-N'-methylthiourea
組成式: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)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:N-cyclohexyl-N'-methylthiourea
JMA
JMA
表記:4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol
組成式: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
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol
JMD
JMD
表記:4-(2-hydroxyethyl)benzonitrile
組成式: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
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-(2-hydroxyethyl)benzonitrile
JMG
JMG
表記:5-phenylthiophene-2-carboxylic acid
組成式: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)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:5-phenylthiophene-2-carboxylic acid
JMJ
JMJ
表記:N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
組成式: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)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
JMM
JMM
表記:[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
組成式: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
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
JMV
JMV
表記:(3-chlorophenoxy)acetic acid
組成式: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)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(3-chlorophenoxy)acetic acid
JMY
JMY
表記: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
組成式: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
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）: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
JN1
JN1
表記:(6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione
組成式: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
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione
JNA
JNA
表記:N-[(thiophen-2-yl)methyl]benzenesulfonamide
組成式: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
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:N-[(thiophen-2-yl)methyl]benzenesulfonamide
JNG
JNG
表記:[(4-chlorophenyl)sulfanyl]acetic acid
組成式: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)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:[(4-chlorophenyl)sulfanyl]acetic acid
JNM
JNM
表記:1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one
組成式: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
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one
JNP
JNP
表記:7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
組成式: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
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
JNV
JNV
表記:1-(3,4-dichlorophenyl)propan-2-one
組成式:C9 H8 Cl2 O
SMILES:c1(cc(CC(C)=O)ccc1Cl)Cl
InChi:InChI=1S/C9H8Cl2O/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5H,4H2,1H3
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-(3,4-dichlorophenyl)propan-2-one
JNY
JNY
表記:6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
組成式:C8 H5 F3 N2 O
SMILES:CC1=CC(C(F)(F)F)=C(C#N)C(N1)=O
InChi:InChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,1H3,(H,13,14)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
JO1
JO1
表記:1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
組成式:C10 H11 N3 O S
SMILES:C(c1sccc1)NC(c2ccnn2C)=O
InChi:InChI=1S/C10H11N3OS/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,14)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
JO4
JO4
表記:4-phenoxybenzoic acid
組成式:C13 H10 O3
SMILES:c1ccccc1Oc2ccc(C(=O)O)cc2
InChi:InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-phenoxybenzoic acid
JO7
JO7
表記:(1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol
組成式:C10 H19 N O4 S
SMILES:COC1CN(C2CCC(O)C1C2)S(=O)(C)=O
InChi:InChI=1S/C10H19NO4S/c1-15-10-6-11(16(2,13)14)7-3-4-9(12)8(10)5-7/h7-10,12H,3-6H2,1-2H3/t7-,8-,9-,10+/m1/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol
JOA
JOA
表記:(1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane
組成式:C11 H21 N O4 S
SMILES:C1C(C2C(OC)CCC(N1S(C)(=O)=O)C2)OC
InChi:InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10-,11+/m1/s1
定義日:2018-09-12
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane

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