 | | 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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 | | JNV | | Name: | 1-(3,4-dichlorophenyl)propan-2-one | | Formula: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-(3,4-dichlorophenyl)propan-2-one |
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 | | JNY | | Name: | 6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile | | Formula: | 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) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile |
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 | | JO1 | | Name: | 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide | | Formula: | 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) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide |
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 | | JO4 | | Name: | 4-phenoxybenzoic acid | | Formula: | 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) | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-phenoxybenzoic acid |
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 | | JO7 | | Name: | (1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol | | Formula: | 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 | | Definition date: | 2018-09-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol |
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 | | JOA | | Name: | (1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane | | Formula: | 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 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane |
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 | | JOD | | Name: | (5S,8R,8aS)-8-hydroxyhexahydro-3H-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one | | Formula: | C9 H13 N O3 | | SMILES: | C2C1C3(O)CCC(N1C(O2)=O)CC3 | | InChi: | InChI=1S/C9H13NO3/c11-8-10-6-1-3-9(12,4-2-6)7(10)5-13-8/h6-7,12H,1-5H2/t6-,7-,9-/m0/s1 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (5S,8R,8aS)-8-hydroxyhexahydro-3H-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one |
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 | | JOG | | Name: | (1R,4R,5R,6S)-4,6-dihydroxy-N-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide | | Formula: | C15 H20 N2 O3 | | SMILES: | C2N(C1CCC(O)C(C1)C2O)C(=O)Nc3ccccc3 | | InChi: | InChI=1S/C15H20N2O3/c18-13-7-6-11-8-12(13)14(19)9-17(11)15(20)16-10-4-2-1-3-5-10/h1-5,11-14,18-19H,6-9H2,(H,16,20)/t11-,12-,13+,14+/m1/s1 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (1R,4R,5R,6S)-4,6-dihydroxy-N-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide |
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 | | JOJ | | Name: | 2-(4,5-dichloro-1H-imidazol-1-yl)ethanethioamide | | Formula: | C5 H5 Cl2 N3 S | | SMILES: | c1(n(CC(N)=S)cnc1Cl)Cl | | InChi: | InChI=1S/C5H5Cl2N3S/c6-4-5(7)10(2-9-4)1-3(8)11/h2H,1H2,(H2,8,11) | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 2-(4,5-dichloro-1H-imidazol-1-yl)ethanethioamide |
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 | | JOM | | Name: | 5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3H)-thione | | Formula: | C9 H6 F3 N3 S2 | | SMILES: | C2(Nc1ccc(cc1)C(F)(F)F)=NNC(=S)S2 | | InChi: | InChI=1S/C9H6F3N3S2/c10-9(11,12)5-1-3-6(4-2-5)13-7-14-15-8(16)17-7/h1-4H,(H,13,14)(H,15,16) | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3H)-thione |
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 | | JOP | | Name: | N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2R)-2-hydroxypropyl]thiourea | | Formula: | C11 H20 N2 O S | | SMILES: | C1C(NC(NCC(C)O)=S)C2CCC1C2 | | InChi: | InChI=1S/C11H20N2OS/c1-7(14)6-12-11(15)13-10-5-8-2-3-9(10)4-8/h7-10,14H,2-6H2,1H3,(H2,12,13,15)/t7-,8+,9-,10+/m1/s1 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2R)-2-hydroxypropyl]thiourea |
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 | | B8E | | Name: | methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate | | Formula: | C13 H13 N O2 S | | SMILES: | COC(=O)Cc1nc(sc1C)c2ccccc2 | | InChi: | InChI=1S/C13H13NO2S/c1-9-11(8-12(15)16-2)14-13(17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3 | | Definition date: | 2017-09-22 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate |
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 | | JOV | | Name: | 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide | | Formula: | C11 H14 Cl N O2 | | SMILES: | c1ccc(cc1C(NC(C)(CO)C)=O)Cl | | InChi: | InChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15) | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide |
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 | | JOY | | Name: | 4-[(1H-pyrazol-1-yl)methyl]benzonitrile | | Formula: | C11 H9 N3 | | SMILES: | c1cn(nc1)Cc2ccc(C#N)cc2 | | InChi: | InChI=1S/C11H9N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,9H2 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-[(1H-pyrazol-1-yl)methyl]benzonitrile |
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 | | JP4 | | Name: | [2-(morpholin-4-yl)phenyl]methanol | | Formula: | C11 H15 N O2 | | SMILES: | C1COCCN1c2ccccc2CO | | InChi: | InChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | [2-(morpholin-4-yl)phenyl]methanol |
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 | | JP7 | | Name: | (6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one | | Formula: | C14 H16 N2 O3 | | SMILES: | C2N4C(CCN4C3c1ccc(OC)cc1OCC23)=O | | InChi: | InChI=1S/C14H16N2O3/c1-18-10-2-3-11-12(6-10)19-8-9-7-16-13(17)4-5-15(16)14(9)11/h2-3,6,9,14H,4-5,7-8H2,1H3/t9-,14+/m0/s1 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one |
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 | | JPD | | Name: | methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate | | Formula: | C12 H21 N O4 | | SMILES: | C21(C(C(CC)O)N(C(OC)=O)C(CC1)CC2)O | | InChi: | InChI=1S/C12H21NO4/c1-3-9(14)10-12(16)6-4-8(5-7-12)13(10)11(15)17-2/h8-10,14,16H,3-7H2,1-2H3/t8-,9-,10-,12-/m0/s1 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate |
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 | | JPG | | Name: | 1-(2-phenoxyphenyl)ethan-1-one | | Formula: | C14 H12 O2 | | SMILES: | c2cc(Oc1c(C(C)=O)cccc1)ccc2 | | InChi: | InChI=1S/C14H12O2/c1-11(15)13-9-5-6-10-14(13)16-12-7-3-2-4-8-12/h2-10H,1H3 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-(2-phenoxyphenyl)ethan-1-one |
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 | | JPV | | Name: | (2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol | | Formula: | C14 H16 N2 O | | SMILES: | c21nc3C4C(O)CNC(Cc3c1cccc2)C4 | | InChi: | InChI=1S/C14H16N2O/c17-13-7-15-8-5-10-9-3-1-2-4-12(9)16-14(10)11(13)6-8/h1-4,8,11,13,15-17H,5-7H2/t8-,11+,13-/m0/s1 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol |
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 | | N19 | | Name: | 4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide | | Formula: | C18 H21 N3 O3 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[CH](C2)Cc3ccccc3 | | InChi: | InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1 | | Definition date: | 2017-11-07 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide |
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 | | OPV | | Name: | ~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide | | Formula: | C16 H18 N4 O5 | | SMILES: | C[CH]1ON(CCc2c[nH]cn2)C(=O)[CH]1NC(=O)c3cccc(O)c3O | | InChi: | InChI=1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13-/m0/s1 | | Definition date: | 2018-07-31 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | ~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide |
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 | | OPZ | | Name: | ~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide | | Formula: | C16 H18 N4 O5 | | SMILES: | C[CH]1ON(CCc2c[nH]cn2)C(=O)[CH]1NC(=O)c3cccc(O)c3O | | InChi: | InChI=1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13+/m1/s1 | | Definition date: | 2018-07-31 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | ~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide |
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 | | P70 | | Name: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine | | Formula: | C17 H19 N2 O7 P | | SMILES: | C(=O)(O)C(N=Cc1c(c(C)ncc1COP(O)(O)=O)O)Cc2ccccc2 | | InChi: | InChI=1S/C17H19N2O7P/c1-11-16(20)14(13(8-18-11)10-26-27(23,24)25)9-19-15(17(21)22)7-12-5-3-2-4-6-12/h2-6,8-9,15,20H,7,10H2,1H3,(H,21,22)(H2,23,24,25)/b19-9+/t15-/m0/s1 | | Definition date: | 2018-06-22 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine |
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