FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STL056968
Synonyms: N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorobenzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl

STL056969
Synonyms: 8-(3,5-dimethylpiperidin-1-yl)-6-hydroxy-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Smiles: CC1CC(C)CN(C1)c1nc2c(n1CCSc1nnc(s1)C)c(O)nc(=O)n2C

STL056976
Synonyms: (2E)-7-(4-fluorophenyl)-2-[(3-methylphenyl)imino]-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Fc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N\c1cccc(c1)C)/nc2

STL056979
Synonyms: 2-[(2-fluorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
Smiles: Fc1ccccc1CSc1nnc(o1)[C@@H]1CCCN1

STL056992
Synonyms: 2-{[4-(2-fluorophenyl)piperazin-4-ium-1-yl]carbonothioyl}phenolate
Smiles: Fc1ccccc1[NH+]1CCN(CC1)C(=S)c1ccccc1[O-]

STL056996
Synonyms: methyl6-[(methylsulfonyl)amino]-12-oxo-12H-quinoxalino[2,1-b]quinazoline-9-carboxylate
Smiles: COC(=O)c1ccc2c(c1)nc1n(c2=O)c2ccccc2nc1NS(=O)(=O)C

STL057003
Synonyms: 2-{[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N,N,N-trimethylethanaminium
Smiles: CN1C(=S)N(C)C(=O)C(=CNCC[N+](C)(C)C)C1=O

STL057005
Synonyms: 2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]hexahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Smiles: COc1cc(CCN2C(=O)C3C(C2=O)C2C=CC3C3C2C(=O)N(C3=O)CCc2ccc(c(c2)OC)OC)ccc1OC

STL057009
Synonyms: 4-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1ccc(cc1)S(=O)(=O)N)/O

STL057046
Synonyms: (5E)-5-{[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C/c2ccc(o2)c2cc(Cl)ccc2C)/C(=N1)O

STL057049
Synonyms: N-[(2E)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]quinoline-2-carboxamide
Smiles: O=C(c1ccc2c(n1)cccc2)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N

STL057057
Synonyms: (4Z)-6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4-[(2-methoxyphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CCc2c(C1)cccc2

STL057071
Synonyms: N-[(3Z)-1,8-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C

STL057090
Synonyms: (2E)-2-[(4-methylphenyl)imino]-8-(propoxymethyl)-7-oxa-1-thia-3-azaspiro[4.4]nonane-4,6-dione
Smiles: CCCOCC1OC(=O)C2(C1)S/C(=N/c1ccc(cc1)C)/NC2=O

STL057098
Synonyms: 4-{[(E)-(4-hydroxyphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1

STL057100
Synonyms: 4-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O

STL057102
Synonyms: 5-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentan-1-amine
Smiles: NCCCCCc1nnc(o1)SCc1ccc(cc1)F

STL057107
Synonyms: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(O)nc(=O)n2C

STL057127
Synonyms: 3-(2-bromophenoxy)-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-oxo-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)Oc1ccccc1Br

STL057129
Synonyms: (5E)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)CC=C)O

STL057137
Synonyms: 2-{5-[(E)-(1-ethyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-2,4-dimethoxybenzyl}-1H-isoindole-1,3(2H)-dione
Smiles: CCN1C(=NC(=O)/C(=C\c2cc(CN3C(=O)c4c(C3=O)cccc4)c(cc2OC)OC)/C1=O)S

STL057145
Synonyms: 3-{[(1E)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]amino}benzoicacid
Smiles: CCCCN1C(=O)N=C(/C(=C(\Nc2cccc(c2)C(=O)O)/CC)/C1=O)O

STL057152
Synonyms: N-cycloheptyl-N'-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)NC2CCCCCC2)/s1

STL057154
Synonyms: N'-[(1E)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)CCCC)O)/C

STL057161
Synonyms: N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=c\1/[nH]nc(s1)Cc1c[nH]c2c1cccc2

STL057163
Synonyms: (7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-2-yl)acetate
Smiles: [O-]C(=O)Cc1nn2c([nH+]1)nc(cc2O)C

STL057164
Synonyms: 2-[(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)sulfanyl]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)SCC(=O)N1CCN(CC1)C(=O)c1ccco1

STL057170
Synonyms: 4-oxo-4-(4-{[4-(propan-2-yl)phenyl]sulfonyl}piperazin-1-yl)-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)C

STL057172
Synonyms: (8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl3-nitrobenzoate
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])OCc1cc2cccc(c2[nH]c1=O)C

STL057175
Synonyms: (2E)-7-(4-methylphenyl)-2-[(3-methylphenyl)imino]-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Cc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N\c1cccc(c1)C)/nc2

STL057177
Synonyms: N-(2,4-dihydroxypyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide
Smiles: CCc1cccc(c1)OCC(=O)Nc1cnc(nc1O)O

STL057180
Synonyms: N-(4-ethoxyphenyl)-Nalpha-(piperidin-4-ylcarbonyl)phenylalaninamide
Smiles: CCOc1ccc(cc1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCNCC1

STL057183
Synonyms: (E)-(5-methylfuran-2-yl){1'-[3-(morpholin-4-ium-4-yl)propyl]-2,4',5'-trioxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: CCCN1c2ccccc2C2(C1=O)N(CCC[NH+]1CCOCC1)C(=O)C(=O)/C/2=C(\c1ccc(o1)C)/[O-]

STL057192
Synonyms: 5-{[(2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1cccc(c1)C)CS(=O)(=O)C2

STL057217
Synonyms: 3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: COc1cc(cc(c1OC)OC)c1onc(n1)c1cc2ccccc2[nH]c1=O

STL057220
Synonyms: 2-({5-[1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
Smiles: NC(=O)CSc1nnc(o1)C(Cc1c[nH]c2c1cccc2)N

STL057223
Synonyms: (5Z)-3-tert-butyl-5-{[(2,4-dimethoxyphenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(OC)ccc1N/C=C\1/C(=NC(=O)N(C1=O)C(C)(C)C)O

STL057227
Synonyms: 1-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-methylbutan-1-amine
Smiles: CCC(C(c1nnc(o1)SCc1cccc(c1)F)N)C

STL057231
Synonyms: (5E)-3-butyl-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}ethylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NCCc2c[nH]c3c2cccc3)/C)/C1=O)O

STL057239
Synonyms: 8-methyl-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: Cc1ccccc1c1onc(n1)c1cc2cccc(c2[nH]c1=O)C

STL057263
Synonyms: 4-(4-hydroxyquinolin-2-yl)-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-olate
Smiles: Cc1nn(c(c1c1cc(O)c2c(n1)cccc2)[O-])c1ccc(cc1)[N+](=O)[O-]

STL057265
Synonyms: 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole
Smiles: CCc1n[nH]c(n1)SCc1cc(Cl)ccc1OC

STL057269
Synonyms: 2-[(3-chlorobenzyl)sulfanyl]-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole
Smiles: Clc1cccc(c1)CSc1nnc(o1)C1CCCN1

STL057273
Synonyms: 4-methyl-N-[(2Z)-3-[(4-methylbenzyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Cc1ccc(cc1)CNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)C

STL057276
Synonyms: 3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-8-methylquinolin-2(1H)-one
Smiles: Clc1ccccc1c1onc(n1)c1cc2cccc(c2[nH]c1=O)C

STL057278
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(furan-2-ylmethyl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1Cc1ccco1

STL057283
Synonyms: (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cccn2c2ccc(cc2)O)/C1=O)S

STL057284
Synonyms: 4-{[(2-hydroxyethyl)amino]methyl}quinolin-2(1H)-one
Smiles: OCCNCc1cc(=O)[nH]c2c1cccc2

STL057289
Synonyms: (5E)-5-[1-(cyclopropylamino)ethylidene]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\NC2CC2)/C)/C1=O)O

STL057290
Synonyms: (5E)-5-({[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino}methylidene)-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)C(c1ccco1)CCN/C=C/1\C(=O)N=C(N(C1=O)C)S

STL057292
Synonyms: 2-{5-[(2-methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1ccccc1C

STL057300
Synonyms: 4-{[(2Z)-3-(3-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1cccc(c1)Cl)CS(=O)(=O)C2

STL057303
Synonyms: 4-[(2E)-2-{1-[(4-chlorophenyl)sulfanyl]propan-2-ylidene}hydrazinyl]pyrimidin-2(1H)-one
Smiles: Clc1ccc(cc1)SC/C(=N/Nc1cc[nH]c(=O)n1)/C

STL057312
Synonyms: (5E)-1-(2,4-dimethylphenyl)-4,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: Cc1ccc(c(c1)C)N1C(=NC(=O)/C(=C\NCc2ccc[nH+]c2)/C1=O)[S-]

STL057320
Synonyms: N-[(2E)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxobutanamide
Smiles: O=C(/N=c/1\[nH]nc(s1)C1CCCCC1)CCC(=O)N1CCC2(CC1)OCCO2

STL057338
Synonyms: 4-[(1E)-1-{2-[(4-bromo-3,5-dimethyl-1H-pyrazol-2-ium-1-yl)acetyl]hydrazinylidene}ethyl]-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C(=N/NC(=O)Cn1[nH+]c(c(c1C)Br)C)/C

STL057348
Synonyms: (5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-6-hydroxy-3-(3-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1cccc(c1)C)O

STL057349
Synonyms: 5-[(1E)-N-(2,4-dimethoxyphenyl)propanimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: COc1ccc(c(c1)OC)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\CC

STL057350
Synonyms: 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yldimethylcarbamate
Smiles: O=C(N(C)C)Oc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F

STL057351
Synonyms: (2Z)-7-(3-chlorophenyl)-2-[(4-methoxyphenyl)imino]-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1cccc(c1)Cl

STL057357
Synonyms: 4-(4-benzylpiperidin-1-yl)-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCC(CC2)Cc2ccccc2)/s1)C

STL057360
Synonyms: (4Z)-4-[(4-chlorophenyl)imino]-6-[(4-methylpiperidin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CC1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2)Cl)/[nH]1

STL057364
Synonyms: (8E)-1-(4-chlorobenzyl)-3,7-dimethyl-8-[(2Z)-pentan-2-ylidenehydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: CCC/C(=N\N=c\1/[nH]c2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Cl)/C

STL057377
Synonyms: 4-[4-(2-chlorobenzyl)piperazin-1-yl]-N-[(4E)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]aniline
Smiles: Cc1[nH]/c(=N/c2ccc(cc2)N2CCN(CC2)Cc2ccccc2Cl)/c2c(n1)c1ccccc1o2

STL057384
Synonyms: tert-butyl[1-(5-{[(2,4-dihydroxy-6-methylpyrimidin-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
Smiles: O=C(OC(C)(C)C)NC(c1nnc(o1)SCc1c(C)nc(nc1O)O)C(C)C

STL057393
Synonyms: 2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)N

STL057400
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCc1ccccc1)N)C

STL057402
Synonyms: 6-amino-3-tert-butyl-4-(3,4-difluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)F)F)c([nH]n2)C(C)(C)C

STL057403
Synonyms: methylN-(piperidin-1-ylcarbonyl)-D-phenylalaninate
Smiles: COC(=O)[C@H](NC(=O)N1CCCCC1)Cc1ccccc1

STL057407
Synonyms: N-(2-{5-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl}ethyl)acetamide
Smiles: OC(COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2)CNC(C)(C)C

STL057408
Synonyms: (4E)-4-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-3,4-dihydropyrimidin-2(1H)-one
Smiles: Oc1ccccc1/C=N/N=c/1\cc[nH]c(=O)[nH]1

STL057410
Synonyms: 6-hydroxy-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCNc1nc2c(n1C)c(O)nc(=O)n2C

STL057420
Synonyms: methyl[(2Z)-5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Smiles: COC(=O)/N=c\1/[nH]nc(s1)CCCOc1ccc(cc1Cl)Cl

STL057437
Synonyms: N-[(2E)-5-(2-methoxyethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: COCCc1n[nH]/c(=N\C(=O)C(C)C)/s1

STL057439
Synonyms: (2Z)-2-[(4-methylphenyl)imino]-7-phenyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Cc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccccc1

STL057454
Synonyms: 3-{[(1Z)-1-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]amino}benzoicacid
Smiles: O=C1N=C(O)/C(=C(/Nc2cccc(c2)C(=O)O)\C)/C(=O)N1Cc1ccccc1

STL057461
Synonyms: 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(c(c1OC)OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STL057475
Synonyms: 8-chloro-2,3-dihydro-1H-phenothiazin-4-ol
Smiles: Clc1ccc2c(c1)N=C1C(=C(O)CCC1)S2

STL057480
Synonyms: 5,5-dimethyl-3-{(2E)-2-[(2E)-(4-phenyl-1,3-thiazol-2(3H)-ylidene)hydrazinylidene]propyl}dihydrofuran-2(3H)-one
Smiles: C/C(=N\N=c/1\scc([nH]1)c1ccccc1)/CC1CC(OC1=O)(C)C

STL057487
Synonyms: 4-(2-methoxyphenyl)-1-(pentan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: CCCC(n1nc(c2c1N=C(O)CSC2c1ccccc1OC)O)C

STL057492
Synonyms: 2-({(2Z)-6-amino-2-[(2-fluorophenyl)imino]-5-nitro-2,3-dihydropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1[nH]/c(=N/c2ccccc2F)/nc(c1[N+](=O)[O-])N

STL057503
Synonyms: (2E)-3-[2-(benzyloxy)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1ccccc1OCc1ccccc1)/Sc1[nH]nc([nH+]1)C

STL057521
Synonyms: 2-[9-(4-ethoxyphenyl)-7-hydroxy-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide
Smiles: CCOc1ccc(cc1)N1CC(O)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=O)N

STL057529
Synonyms: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-ethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1cc(Br)c(c(c1)OCC)O)c1ccccc1

STL057537
Synonyms: methylN-[(4-methoxyphenyl)carbamoyl]methioninate
Smiles: CSCCC(C(=O)OC)NC(=O)Nc1ccc(cc1)OC

STL057550
Synonyms: 4-{[4-chloro-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]amino}butanoicacid
Smiles: OC(=O)CCCNc1nc(Cl)nc(n1)N1CCCCC1

STL057556
Synonyms: (5Z)-2,6-dihydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)pyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C(\NCCCn2ccnc2)/C)/C(=N1)O

STL057557
Synonyms: (5Z)-2,6-dioxo-5-(1-{[2-(piperazin-1-ium-1-yl)ethyl]amino}ethylidene)-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C=CCN1C(=O)N=C(/C(=C(/NCC[NH+]2CCNCC2)\C)/C1=O)[O-]

STL057562
Synonyms: 3-[(tert-butylamino)methyl]-8-methylquinolin-2(1H)-one
Smiles: O=c1[nH]c2c(C)cccc2cc1CNC(C)(C)C

STL057563
Synonyms: N-[(3Z)-1,7-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3,5-dimethoxybenzamide
Smiles: COc1cc(OC)cc(c1)C(=O)/N=c/1\[nH]n(c2c1cc1ccc(cc1n2)C)C

STL057571
Synonyms: N-(4-ethoxybenzyl)-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-2-amine
Smiles: CCOc1ccc(cc1)CNc1nc2c(n1CCN1CCOCC1)cccc2

STL057582
Synonyms: N-(2-{2-[(Z)-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-3-yl}ethyl)propanamide
Smiles: CCC(=O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)C2CCCCC2)O)[nH]c2c1cccc2

STL057605
Synonyms: propyl[4-(dimethylamino)phenyl][hydroxy(pyridin-3-yl)methyl]phosphinate
Smiles: CCCOP(=O)(C(c1cccnc1)O)c1ccc(cc1)N(C)C

STL057609
Synonyms: 7-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)c1noc(n1)C(C)C

STL057617
Synonyms: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N'-{(E)-[4-(dimethylamino)-3-nitrophenyl]methylidene}acetohydrazide
Smiles: O=C(Cn1c(nc2c1cccc2)c1nonc1N)N/N=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C

STL057624
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
Smiles: Clc1ccccc1CSc1nnc(o1)[C@@H]1CCCN1

STL057628
Synonyms: 4-(1,3-dihydro-2H-isoindolium-2-yl)benzoate
Smiles: [O-]C(=O)c1ccc(cc1)[NH+]1Cc2c(C1)cccc2

STL057633
Synonyms: (2R)-2-amino-N'-[(E)-(2-chloro-7-methylquinolin-3-yl)methylidene]propanehydrazide(non-preferredname)
Smiles: O=C([C@H](N)C)N/N=C/c1cc2ccc(cc2nc1Cl)C

STL057635
Synonyms: 2-(4-methylphenyl)-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: Cc1ccc(cc1)c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STL057641
Synonyms: 2-({(2Z)-6-amino-2-[(4-methoxyphenyl)imino]-5-nitro-2,3-dihydropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1[nH]/c(=N/c2ccc(cc2)OC)/nc(c1[N+](=O)[O-])N

STL057642
Synonyms: N-[(2Z)-3-{[4-(butan-2-yl)phenyl]amino}quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: CCC(c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccccc1)C

STL057644
Synonyms: N-[(3Z)-1,7-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-fluorobenzamide
Smiles: Cc1ccc2c(c1)nc1c(c2)/c(=N/C(=O)c2ccccc2F)/[nH]n1C

STL057645
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCc1c(C)nc(nc1O)O)NC(=O)OC(C)(C)C)C

STL057653
Synonyms: 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile
Smiles: N#CC(c1ccccc1)(c1ccccc1)CCN1CCN(CC1)c1ccccc1

STL057656
Synonyms: (2Z)-7-(4-fluorophenyl)-2-[(4-methylphenyl)imino]-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Cc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)F

STL057663
Synonyms: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate
Smiles: [O-]c1ccccc1c1[nH]c2c([nH+]1)n(C)c(=O)n(c2=O)C

STL057670
Synonyms: 4-[4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2cc(F)ccc2OC)/s1

STL057673
Synonyms: (5E)-6-hydroxy-5-{1-[2-(naphthalen-1-yl)hydrazinyl]ethylidene}-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\NNc2cccc3c2cccc3)/C)/C1=O)O

STL057677
Synonyms: (5E)-2,6-dioxo-1-phenyl-5-{1-[(pyridinium-3-ylmethyl)amino]ethylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)[O-])/NCc1ccc[nH+]c1

STL057682
Synonyms: 2-methylpropyl[(2Z)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Smiles: COc1cc(ccc1OC)c1n[nH]/c(=N/C(=O)OCC(C)C)/s1

STL057713
Synonyms: 1-[(4-methylphenyl)sulfonyl]-N-[(2S)-1-{[3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-yl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]piperidine-4-carboxamide
Smiles: CSCC[C@@H](C(=O)Nc1cc(nn1c1ccccn1)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STL057715
Synonyms: methylN-{[2-(4-chlorophenyl)ethyl]carbamoyl}-D-methioninate
Smiles: COC(=O)[C@H](NC(=O)NCCc1ccc(cc1)Cl)CCSC

STL057722
Synonyms: 2-[4-(2-bromo-4-chlorophenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Clc1ccc(c(c1)Br)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL057739
Synonyms: (5Z)-1-benzyl-5-{[(1-phenylethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CC(c1ccccc1)N/C=C\1/C(=O)N=C(N(C1=O)Cc1ccccc1)S

STL057742
Synonyms: 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1ccc(cc1)C(C)(C)C)c1n[nH]c(c1)c1ccccc1

STL057745
Synonyms: 5-benzyl-3-(4-chlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(cc1)C1=NOC2C1C(=O)N(C2=O)Cc1ccccc1

STL057749
Synonyms: 4-oxo-4-(4-phenylpiperazin-1-yl)-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(N1CCN(CC1)c1ccccc1)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STL057753
Synonyms: 7-(2,4-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)thieno[2,3-b:4,5-b']dipyridin-2(1H)-one
Smiles: COc1cc(OC)ccc1c1nc2sc3c(c2c(c1)C(F)(F)F)[nH]c(=O)cc3O

STL057757
Synonyms: 6'-amino-3'-methyl-2-oxo-1-(2-phenylethyl)-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)CCc1ccccc1)c(C)[nH]n2

STL057762
Synonyms: 6-[(dimethylammonio)methyl]-3-(ethoxycarbonyl)-2-methyl-1-benzofuran-5-olate
Smiles: CCOC(=O)c1c(C)oc2c1cc([O-])c(c2)C[NH+](C)C

STL057773
Synonyms: 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-phenyl[1]benzofuro[3,2-d]pyrimidine
Smiles: Cc1cc(C)nc(n1)N1CCN(CC1)c1nc(nc2c1oc1c2cccc1)c1ccccc1

STL057779
Synonyms: 2-(furan-2-yl)-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: [O-]c1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc([nH+]n2cn1)c1ccco1

STL057799
Synonyms: 1-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethyl)-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)C

STL057804
Synonyms: 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: CCOc1ccc(cc1)C(=O)Cn1cc([n+]2c1CCC2)c1ccccc1

STL057808
Synonyms: 4-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: Cc1ccc(cc1)OCCN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(C)C

STL057811
Synonyms: 2-(4-hydroxyquinolin-2-yl)-1-oxo-1H-inden-3-olate
Smiles: O=C1c2ccccc2C(=C1c1cc(O)c2c(n1)cccc2)[O-]

STL057850
Synonyms: 1-(10-carboxy-2-hydroxydecyl)piperidinium
Smiles: OC(=O)CCCCCCCCC(C[NH+]1CCCCC1)O

STL057851
Synonyms: 2-(acetylamino)-3-[(5,8-dimethoxy-2-methylquinolin-4-yl)sulfanyl]propanoate
Smiles: COc1ccc(c2c1c(SCC(C(=O)[O-])NC(=O)C)cc(n2)C)OC

STL057854
Synonyms: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(cc1)Cl

STL057867
Synonyms: 1-{2-oxo-2-[(4-phenoxyphenyl)amino]ethyl}-3-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazol-4-ium
Smiles: O=C(CN1C=C([NH+]2C1CCC2)c1ccccc1)Nc1ccc(cc1)Oc1ccccc1

STL057872
Synonyms: 4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STL057874
Synonyms: 1-(4-fluorobenzyl)-3-(4-fluorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Fc1ccc(cc1)Cn1cc([n+]2c1CCC2)c1ccc(cc1)F

STL057877
Synonyms: 1-(4-fluorobenzyl)-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)Cc1ccc(cc1)F

STL057901
Synonyms: methyl[(2E)-5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Smiles: COC(=O)/N=c/1\[nH]nc(s1)/C=C/c1ccccc1

STL057904
Synonyms: 4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: C/C(=C\c1ccccc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STL057916
Synonyms: 4-({[4-ammonio-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Smiles: CCOc1cccc(c1)c1nnc(n1[NH3+])SCc1ccc(cc1)C(=O)[O-]

STL057918
Synonyms: 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Cc1[nH]nc(c1)c1nnc(n1/N=C/C=C/c1ccccc1)S

STL057919
Synonyms: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)Nc1ccc2c(c1)OCO2

STL057928
Synonyms: 4-[5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]pyridine
Smiles: C=CCn1c(SC/C=C/c2ccccc2)nnc1c1ccncc1

STL057929
Synonyms: 1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: CCOc1ccc(cc1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccccc1

STL057933
Synonyms: 5-[2-hydroxy-7-methoxy-4-oxo-3-(prop-2-en-1-yl)-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-5-yl]-2,6-dioxo-3-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: C=CCn1c(O)nc2c(c1=O)C(c1c(O2)ccc(c1)OC)c1c(=O)[nH]c(=O)n(c1[O-])CC=C

STL057937
Synonyms: ethyl(6E)-4-amino-6-(phenylimino)-1,6-dihydro-1,3,5-triazine-2-carboxylate
Smiles: CCOC(=O)c1nc(N)n/c(=N/c2ccccc2)/[nH]1

STL057938
Synonyms: 6-(2-chlorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-ol
Smiles: OC1=NC(=C(C(N1)c1ccccc1Cl)[N+](=O)[O-])C

STL057941
Synonyms: 5-(2,4-dihydroxy-9-methoxy-5H-chromeno[2,3-d]pyrimidin-5-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1cccc2c1Oc1nc(O)nc(c1C2c1c([O-])[nH]c(=O)[nH]c1=O)O

STL057946
Synonyms: 2-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccccc2Cl)nc2c(c1=O)cccc2

STL057947
Synonyms: 4-({[2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenylpropanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: OC(=O)C1CCC(CC1)CNC(=O)C(n1c(=O)[nH]c2c(c1=O)cccc2)Cc1ccccc1

STL057950
Synonyms: 6-ethyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1c(C)nc2n(c1O)nc(c2c1ccc(cc1)OC)C

STL057955
Synonyms: ethyl3-tert-butyl-8-cyano-3-hydroxy-7-[4-(methoxycarbonyl)phenyl]-5-methyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N2C(=C(C1c1ccc(cc1)C(=O)OC)C#N)SCC2(O)C(C)(C)C

STL057963
Synonyms: 3'-(4-methoxyphenyl)-4'-(phenylcarbonyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(cc1)C1=NOC2(C1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STL057964
Synonyms: 2-hydroxy-3-(3-methoxyphenyl)-6-oxo-5-(thiophen-2-ylmethyl)-3,6-dihydropyrimidin-4-olate
Smiles: COc1cccc(c1)n1c(O)nc(=O)c(c1[O-])Cc1cccs1

STL057966
Synonyms: N-{[4-({[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]amino}methyl)cyclohexyl]carbonyl}valine
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)NC(C(=O)O)C(C)C

STL057967
Synonyms: 2-(3,4-dimethoxyphenyl)-N-[(2E)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: COc1ccc2c(c1)s/c(=N/C(=O)Cc1ccc(c(c1)OC)OC)/[nH]2

STL057970
Synonyms: N-[3-oxo-2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-2-yl]benzamide
Smiles: O=C(c1ccccc1)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F

STL057973
Synonyms: (5-methyl-4,5-dihydrospiro[2-benzazepine-3,1'-cyclopentan]-2(1H)-yl)(morpholin-4-yl)methanone
Smiles: O=C(N1Cc2ccccc2C(CC21CCCC2)C)N1CCOCC1

STL057978
Synonyms: 6'-[(4-methylphenyl)carbonyl]-7'-phenyl-1',6',7',7a'-tetrahydrospiro[indole-3,5'-pyrrolo[1,2-c][1,3]thiazol]-2(1H)-one
Smiles: Cc1ccc(cc1)C(=O)C1C(c2ccccc2)C2N(C31C(=O)Nc1c3cccc1)CSC2

STL057985
Synonyms: (3-{5-chloro-4-[(4-fluorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)aceticacid
Smiles: OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)NCc1ccc(cc1)F

STL057986
Synonyms: tetrahydrothiophene-3,4-disulfonate1,1-dioxide
Smiles: O=S1(=O)CC(C(C1)S(=O)(=O)[O-])S(=O)(=O)[O-]

STL057995
Synonyms: 3'-(2,4-dimethoxyphenyl)-4'-[(4-methylphenyl)carbonyl]-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(c(c1)OC)C1=NOC2(C1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1

STL057998
Synonyms: 1-{[4-({[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]amino}methyl)cyclohexyl]carbonyl}piperidine-4-carboxylicacid
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)N1CCC(CC1)C(=O)O

STL058001
Synonyms: 5-fluoro-1'-methyl-4'-(3-nitrophenyl)-3'-(pyridin-3-ylcarbonyl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
Smiles: Fc1ccc2c(c1)C1(N(C)CC(C1C(=O)c1cccnc1)c1cccc(c1)[N+](=O)[O-])C(=O)N2

STL058004
Synonyms: N-{[4-({[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]amino}methyl)cyclohexyl]carbonyl}methionine
Smiles: CSCCC(C(=O)O)NC(=O)C1CCC(CC1)CNC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2

STL058005
Synonyms: 4-[4,6-dichloro-2-(pyridin-2-yl)-1H-indol-3-yl]butanoicacid
Smiles: OC(=O)CCCc1c([nH]c2c1c(Cl)cc(c2)Cl)c1ccccn1

STL058009
Synonyms: 3'-(4-chlorophenyl)-4'-[(3,4,5-trimethoxyphenyl)carbonyl]-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1c(OC)cc(cc1OC)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)Cl

STL058010
Synonyms: ethyl2'-amino-5-fluoro-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
Smiles: CCOC(=O)C1=C(N)Oc2c(C31C(=O)Nc1c3cc(F)cc1)c(=O)oc1c2cccc1

STL058012
Synonyms: ethyl2'-amino-5-chloro-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
Smiles: CCOC(=O)C1=C(N)Oc2c(C31C(=O)Nc1c3cc(Cl)cc1)c(=O)oc1c2cccc1

STL058015
Synonyms: 3-[(4-methylbenzyl)sulfanyl]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine
Smiles: Cc1ccc(cc1)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STL058016
Synonyms: 2-hydroxy-1-methyl-6-oxo-5-propanoyl-1,6-dihydropyrimidin-4-olate
Smiles: CCC(=O)c1c([O-])nc(n(c1=O)C)O

STL058022
Synonyms: 3-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1cc(OC)ccc1C1=NOC2C1C1OC2C2C1C(=O)N(C2=O)c1ccc(cc1)C

STL058025
Synonyms: (5,6-dimethoxy-1H-indol-2-yl)(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CC2(CC1CC(C2)(C)C)C

STL058035
Synonyms: ({[4-({[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]amino}methyl)cyclohexyl]carbonyl}amino)(phenyl)aceticacid
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)NC(c1ccccc1)C(=O)O

STL058037
Synonyms: (6-methoxy-1H-indol-2-yl)(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CC2(CC1CC(C2)(C)C)C

STL058039
Synonyms: 4-[({[2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: O=C(C1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CCC(CC1)C(=O)O

STL058042
Synonyms: 4-({[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}methyl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C

STL058045
Synonyms: 3'-(3,4-dimethoxyphenyl)-4'-(phenylcarbonyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1cc(ccc1OC)C1=NOC2(C1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STL058047
Synonyms: 4-({[2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-4-methylpentanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: CC(CC(n1c(O)nc2c(c1=O)cccc2)C(=O)NCC1CCC(CC1)C(=O)O)C

STL058048
Synonyms: 6-cyclopentyl-1-(furan-2-ylmethyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(O)n(c2c1CN(CN2)C1CCCC1)Cc1ccco1

STL058049
Synonyms: 4-({[(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: COc1ccc2c(c1)oc(=O)cc2CC(=O)NCC1CCC(CC1)C(=O)O

STL058050
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STL058052
Synonyms: 2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]cyclohexanecarboxylicacid
Smiles: OC(=O)C1CCCCC1C(=O)N1CC2(CC1CC(C2)(C)C)C

STL058054
Synonyms: 3'-(2,4-dimethoxyphenyl)-4'-[(3-methoxyphenyl)carbonyl]-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(c(c1)OC)C1=NOC2(C1C(=O)c1cccc(c1)OC)C(=O)Nc1c2cccc1

STL058055
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
Smiles: O=C(N1CCOCC1)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STL058059
Synonyms: (5-fluoro-1H-indol-2-yl)(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N1CC2(CC1CC(C2)(C)C)C

STL058060
Synonyms: N-{[4-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexyl]methyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C(C1CCC(CC1)CNC(=O)C1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCO2

STL058064
Synonyms: 3-[2-(dipropan-2-ylamino)ethyl]-8-ethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)CCN(C(C)C)C(C)C

STL058066
Synonyms: 3'-(2,5-dimethoxyphenyl)-4'-(thiophen-2-ylcarbonyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(c(c1)C1=NOC2(C1C(=O)c1cccs1)C(=O)Nc1c2cccc1)OC

STL058071
Synonyms: 4-({[3-(1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(CCN1C(=O)C2N(C1=O)Cc1c(C2)cccc1)NCC1CCC(CC1)C(=O)O

STL058072
Synonyms: 3-(1H-indol-3-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
Smiles: CC(C(=O)NCc1ccccn1)Cc1c[nH]c2c1cccc2

STL058073
Synonyms: 3'-(2,5-dimethoxyphenyl)-4'-[(4-propoxyphenyl)carbonyl]-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: CCCOc1ccc(cc1)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1cc(OC)ccc1OC

STL058075
Synonyms: 1H-indol-7-yl(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone
Smiles: O=C(c1cccc2c1[nH]cc2)N1CC2(CC1CC(C2)(C)C)C

STL058079
Synonyms: 3'-(4-chlorophenyl)-4'-[(3-methoxyphenyl)carbonyl]-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)Cl

STL058089
Synonyms: 4-({[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: CC(C(n1nnc2c(c1=O)cccc2)C(=O)NCC1CCC(CC1)C(=O)O)C

STL058093
Synonyms: 5-[2-hydroxy-7-nitro-4-oxo-3-(prop-2-en-1-yl)-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-5-yl]-2,6-dioxo-3-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: C=CCn1c(O)nc2c(c1=O)C(c1c(O2)ccc(c1)[N+](=O)[O-])c1c(=O)[nH]c(=O)n(c1[O-])CC=C

STL058094
Synonyms: N-{[4-({[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]amino}methyl)cyclohexyl]carbonyl}leucine
Smiles: CC(CC(C(=O)O)NC(=O)C1CCC(CC1)CNC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2)C

STL058095
Synonyms: 4-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)benzoate
Smiles: Cc1ccc2c(c1)nc1c(c2)CCN1c1ccc(cc1)C(=O)[O-]

STL058096
Synonyms: 3'-(4-methylphenyl)-4'-(phenylcarbonyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: Cc1ccc(cc1)C1=NOC2(C1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STL058101
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-4-amine
Smiles: Nn1c(nnc1c1n[nH]c(c1)C)SCc1c(Cl)cccc1Cl

STL058109
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethanone
Smiles: COc1ccc(c(c1)C(=O)CSc1nnc(s1)SCc1ccccc1)OC

STL058110
Synonyms: 4-{[(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(C1NCc2c(C1)cccc2)NCC1CCC(CC1)C(=O)O

STL058112
Synonyms: 4-[({N-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]leucyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: CC(CC(C(=O)NCC1CCC(CC1)C(=O)O)NC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2)C

STL058114
Synonyms: N-({4-[(3-methylphenyl)carbamoyl]cyclohexyl}methyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: Cc1cccc(c1)NC(=O)C1CCC(CC1)CNC(=O)C1NCc2c(C1)cccc2

STL058120
Synonyms: 4-[5-chloro-2-(pyridin-2-yl)-1H-indol-3-yl]butanoate
Smiles: [O-]C(=O)CCCc1c([nH]c2c1cc(Cl)cc2)c1ccccn1

STL058122
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl)C

STL058123
Synonyms: N-{[4-({[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]amino}methyl)cyclohexyl]carbonyl}phenylalanine
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)NC(C(=O)O)Cc1ccccc1

STL058127
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1Cl)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STL058133
Synonyms: 3'-(2,4-dimethoxyphenyl)-4'-(phenylcarbonyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(c(c1)OC)C1=NOC2(C1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STL058136
Synonyms: 6'-(1,3-benzodioxol-5-ylcarbonyl)-5-fluoro-7'-phenyl-1',6',7',7a'-tetrahydrospiro[indole-3,5'-pyrrolo[1,2-c][1,3]thiazol]-2(1H)-one
Smiles: Fc1ccc2c(c1)C1(C(=O)N2)N2CSCC2C(C1C(=O)c1ccc2c(c1)OCO2)c1ccccc1

STL058141
Synonyms: N-({4-[(furan-2-ylmethyl)carbamoyl]cyclohexyl}methyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C(C1NCc2c(C1)cccc2)NCC1CCC(CC1)C(=O)NCc1ccco1

STL058142
Synonyms: 1-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: [O-]c1cc(=O)n(c(=O)[nH]1)c1ccccc1C

STL058143
Synonyms: 1-[2-(4-fluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: Fc1ccc(cc1)CCn1c(=O)cc([nH]c1=O)[O-]

STL058152
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
Smiles: Brc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nnc1c1cccnc1

STL058158
Synonyms: 5-fluoro-7'-phenyl-6'-(phenylcarbonyl)-1',6',7',7a'-tetrahydrospiro[indole-3,5'-pyrrolo[1,2-c][1,3]thiazol]-2(1H)-one
Smiles: Fc1ccc2c(c1)C1(C(=O)N2)C(C(=O)c2ccccc2)C(C2N1CSC2)c1ccccc1

STL058159
Synonyms: 3-[(6-chloro-2-methylquinolin-4-yl)sulfanyl]propanoate
Smiles: [O-]C(=O)CCSc1cc(C)nc2c1cc(Cl)cc2

STL058166
Synonyms: N-{[4-({[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]amino}methyl)cyclohexyl]carbonyl}isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)C1CCC(CC1)CNC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2)C

STL058167
Synonyms: 4-[({[4-({[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]amino}methyl)cyclohexyl]carbonyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)NCC1CCC(CC1)C(=O)O

STL058170
Synonyms: 1-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]imidazolidin-2-one
Smiles: O=C1NCCN1C(=O)N1CC2(CC1CC(C2)(C)C)C

STL058171
Synonyms: (4Z)-4-[(2-methylphenyl)imino]-6-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CN1CCN(CC1)Cc1nc(N)n/c(=N\c2ccccc2C)/[nH]1

STL058174
Synonyms: 5-fluoro-1'-methyl-4'-(3-nitrophenyl)-3'-(pyridin-4-ylcarbonyl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
Smiles: Fc1ccc2c(c1)C1(N(C)CC(C1C(=O)c1ccncc1)c1cccc(c1)[N+](=O)[O-])C(=O)N2

STL058180
Synonyms: 2,5-dichloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
Smiles: Clc1ccc(c(c1)C(=O)Nc1cccc(c1)n1cnnn1)Cl

STL058182
Synonyms: 3'-(2,4-dimethoxyphenyl)-4'-(thiophen-2-ylcarbonyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(c(c1)OC)C1=NOC2(C1C(=O)c1cccs1)C(=O)Nc1c2cccc1

STL058183
Synonyms: 3'-(2,5-dimethoxyphenyl)-4'-(naphthalen-2-ylcarbonyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(c(c1)C1=NOC2(C1C(=O)c1ccc3c(c1)cccc3)C(=O)Nc1c2cccc1)OC

STL058186
Synonyms: 4-acetyl-N-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: CC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C

STL058189
Synonyms: {3-[5-chloro-4-(naphthalen-1-ylamino)-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}aceticacid
Smiles: OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)Nc1cccc2c1cccc2

STL058192
Synonyms: 6-(benzylsulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
Smiles: CC1(C)CC2CC(C1)(C)CN2S(=O)(=O)Cc1ccccc1

STL058193
Synonyms: 5-[2-hydroxy-4-oxo-3-(prop-2-en-1-yl)-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-5-yl]-2,6-dioxo-3-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: C=CCn1c(O)nc2c(c1=O)C(c1c(O2)cccc1)c1c(=O)[nH]c(=O)n(c1[O-])CC=C

STL058194
Synonyms: N,N,N',N'-tetramethyl-N-{2-[(3-methylcyclohexyl)oxy]-2-oxoethyl}-N'-{2-[5-methyl-2-(propan-2-yl)cyclohexyl]-2-oxoethyl}decane-1,10-diaminium
Smiles: CC1CCCC(C1)OC(=O)C[N+](CCCCCCCCCC[N+](CC(=O)C1CC(C)CCC1C(C)C)(C)C)(C)C

STL058201
Synonyms: 3-butyl-5-(3-butyl-2-hydroxy-7-methoxy-4-oxo-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-5-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CCCCn1c(O)nc2c(c1=O)C(c1c(O2)ccc(c1)OC)c1c(=O)[nH]c(=O)n(c1[O-])CCCC

STL058202
Synonyms: 2-{[4-amino-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1N)c1ccco1

STL058204
Synonyms: 2-(acetylamino)-3-[(2-methylquinolin-4-yl)sulfanyl]propanoate
Smiles: CC(=O)NC(C(=O)[O-])CSc1cc(C)nc2c1cccc2

STL058208
Synonyms: 1'-methyl-4'-(3-nitrophenyl)-3'-(pyridin-4-ylcarbonyl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
Smiles: O=C(C1C(CN(C21C(=O)Nc1c2cccc1)C)c1cccc(c1)[N+](=O)[O-])c1ccncc1

STL058214
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-bromopyridin-2-yl)acetamide
Smiles: O=C(Nc1ccc(cn1)Br)CSc1nnc(n1N)c1n[nH]c(c1)C

STL058222
Synonyms: 4'-(phenylcarbonyl)-3'-[(E)-2-phenylethenyl]-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: O=C(C1C(=NOC21C(=O)Nc1c2cccc1)/C=C/c1ccccc1)c1ccccc1

STL058223
Synonyms: 3'-(4-methylphenyl)-4'-[(4-methylphenyl)carbonyl]-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: Cc1ccc(cc1)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)C

STL058229
Synonyms: 4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
Smiles: OC1CC(C)(C)Cc2c1c(C)c(o2)C(=O)[O-]

STL058234
Synonyms: 2-amino-5-(4-fluorophenyl)-6-hydroxy-8,8-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Fc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c(n2)N)(C)C

STL058235
Synonyms: N-{5-[(3-phenylpropyl)sulfanyl]-1H-1,2,4-triazol-3-yl}acetamide
Smiles: CC(=O)Nc1n[nH]c(n1)SCCCc1ccccc1

STL058243
Synonyms: 3-butyl-5-(3-butyl-2-hydroxy-4-oxo-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-5-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CCCCn1c(O)nc2c(c1=O)C(c1c(O2)cccc1)c1c(=O)[nH]c(=O)n(c1[O-])CCCC

STL058257
Synonyms: 3'-(2,5-dimethoxyphenyl)-4'-[(4-methylphenyl)carbonyl]-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(c(c1)C1=NOC2(C1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)OC

STL058263
Synonyms: 2-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)ethyl]-1,2-benzothiazol-3(2H)-one1,1-dioxide
Smiles: O=C(N1CC2(CC1CC(C2)(C)C)C)CN1C(=O)c2c(S1(=O)=O)cccc2

STL058266
Synonyms: N-(6-methylheptan-2-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: CC(CCCC(NC(=O)C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)C)C

STL058267
Synonyms: 5-methoxy-2-(3-methyl-1'-phenyl-1H,1'H-4,4'-bipyrazol-5-yl)phenol
Smiles: COc1ccc(c(c1)O)c1[nH]nc(c1c1cnn(c1)c1ccccc1)C

STL058273
Synonyms: 2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-N-(pyridin-4-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: O=C(C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)NCc1ccncc1

STL058283
Synonyms: 4-[(E)-2-(5-chloro-1-methyl-1H-indol-3-yl)ethenyl]-1-methylpyridinium
Smiles: Clc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)cn2C

STL058286
Synonyms: 5-fluoro-4'-(3-fluorophenyl)-1,1'-dimethyl-3''-(prop-2-en-1-yl)-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
Smiles: C=CCN1C(=S)SC2(C1=O)C(CN(C12C(=O)N(c2c1cc(F)cc2)C)C)c1cccc(c1)F

STL058290
Synonyms: 1,2-dimethyl-6-[(E)-2-(5-methyl-1H-indol-3-yl)ethenyl]pyridinium
Smiles: Cc1ccc2c(c1)c(c[nH]2)/C=C/c1cccc([n+]1C)C

STL058292
Synonyms: 5-fluoro-3''-(4-methoxybenzyl)-1,1'-dimethyl-4'-(pyridin-2-yl)-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
Smiles: COc1ccc(cc1)CN1C(=S)SC2(C1=O)C(CN(C12c2cc(F)ccc2N(C1=O)C)C)c1ccccn1

STL058300
Synonyms: 3''-benzyl-5-chloro-1,1'-dimethyl-4'-(pyridin-3-yl)-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
Smiles: Clc1ccc2c(c1)C1(N(C)CC(C31SC(=S)N(C3=O)Cc1ccccc1)c1cccnc1)C(=O)N2C

STL058305
Synonyms: N,N-dimethyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-aminium
Smiles: C=CC[N+](Cc1cccc2c1cccc2)(C)C

STL058309
Synonyms: 5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-1,5-dihydro-2H-pyrano[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: COc1ccccc1C1C=C(Oc2c1c(=O)n(c(=O)n2C)C)c1ccccc1

STL058311
Synonyms: N-cyclopentyl-2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: O=C(C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)NC1CCCC1

STL058313
Synonyms: 1-methyl-4-[(E)-2-(1,2,5-trimethyl-1H-indol-3-yl)ethenyl]pyridinium
Smiles: Cc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)c(n2C)C

STL058314
Synonyms: 2-hydroxy-3-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-6-methyl-4H-pyran-4-one
Smiles: COc1ccc(cc1)/C=C/C(=O)c1c(O)oc(cc1=O)C

STL058321
Synonyms: 4-[5-methyl-2-(pyridin-2-yl)-1H-indol-3-yl]butanoate
Smiles: [O-]C(=O)CCCc1c([nH]c2c1cc(C)cc2)c1ccccn1

STL058324
Synonyms: N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Smiles: Cc1nc2c(s1)cc(cc2)NC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2

STL058332
Synonyms: 7-phenyl-2-sulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-4-ol
Smiles: Sc1nc2OC(CCc2c(n1)O)c1ccccc1

STL058333
Synonyms: (7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)(pyrrolidin-1-yl)methanone
Smiles: Cc1cc(O)n2c(n1)nc(n2)C(=O)N1CCCC1

STL058337
Synonyms: 1-methyl-4-[(E)-2-(5-methyl-1H-indol-3-yl)ethenyl]pyridinium
Smiles: Cc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)c[nH]2

STL058339
Synonyms: 4'-[(3,4-dimethoxyphenyl)carbonyl]-3'-(4-methylphenyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(cc1OC)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)C

STL058342
Synonyms: 7-bromo-5-(2-chlorophenyl)-3-methyl-3H-1,4-benzodiazepin-2-ol
Smiles: Brc1ccc2c(c1)C(=NC(C(=N2)O)C)c1ccccc1Cl

STL058343
Synonyms: N-({4-[(tetrahydrofuran-2-ylmethyl)carbamoyl]cyclohexyl}methyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C(C1CCC(CC1)CNC(=O)C1NCc2c(C1)cccc2)NCC1CCCO1

STL058346
Synonyms: 2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-N-(4-phenylbutan-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: CC(NC(=O)C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)CCc1ccccc1

STL058348
Synonyms: 1-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)cyclohexanecarboxylate
Smiles: CN1C(=O)C(C(=O)N(C1=O)C)C1(CCCCC1)C(=O)[O-]

STL058350
Synonyms: N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,2-dimethylpropanamide
Smiles: COc1cc(ccc1OC)Cc1n[nH]/c(=N/C(=O)C(C)(C)C)/s1

STL058351
Synonyms: 3'-(2,4-dichlorophenyl)-4'-(thiophen-2-ylcarbonyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: Clc1ccc(c(c1)Cl)C1=NOC2(C1C(=O)c1cccs1)C(=O)Nc1c2cccc1

STL058353
Synonyms: 5-{[4-(pyrrolidin-1-ylcarbonyl)-1,3-thiazolidin-3-yl]carbonyl}pyrrolidin-2-one
Smiles: O=C1CCC(N1)C(=O)N1CSCC1C(=O)N1CCCC1

STL058354
Synonyms: 4-[5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)n1nc(cc1c1cccs1)C(F)(F)F

STL058356
Synonyms: methyl[1-(pyridin-2-yl)-1H-imidazol-2-yl]phosphinate
Smiles: [O-]P(=O)(c1nccn1c1ccccn1)C

STL058357
Synonyms: 4-[2-(pyridin-2-yl)-1H-indol-3-yl]butanoate
Smiles: [O-]C(=O)CCCc1c([nH]c2c1cccc2)c1ccccn1

STL058360
Synonyms: 7-amino-5-(3-fluorophenyl)-2,4-dihydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)F)c(O)nc(n2)O

STL058364
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-oxoprolyl)-1,3-thiazolidine-4-carboxamide
Smiles: O=C1CCC(N1)C(=O)N1CSCC1C(=O)Nc1ccc2c(c1)OCCO2

STL058369
Synonyms: N-benzyl-2,6-dihydroxypyrimidine-4-carboxamide
Smiles: Oc1nc(O)nc(c1)C(=O)NCc1ccccc1

STL058372
Synonyms: 5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7-ol
Smiles: Oc1n2cnnc2nc2c1C1(CCCC1)Cc1c2cccc1

STL058376
Synonyms: 2-{4-[2-oxo-4'-(thiophen-2-ylcarbonyl)-1,2-dihydro-4'H-spiro[indole-3,5'-[1,2]oxazol]-3'-yl]phenoxy}acetamide
Smiles: NC(=O)COc1ccc(cc1)C1=NOC2(C1C(=O)c1cccs1)C(=O)Nc1c2cccc1

STL058377
Synonyms: 4'-[(2,4-dimethoxyphenyl)carbonyl]-3'-(4-methoxyphenyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(cc1)C1=NOC2(C1C(=O)c1ccc(cc1OC)OC)C(=O)Nc1c2cccc1

STL058383
Synonyms: 5-fluoro-3''-(4-methoxybenzyl)-1,1'-dimethyl-4'-(pyridin-4-yl)-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
Smiles: COc1ccc(cc1)CN1C(=S)SC2(C1=O)C(CN(C12c2cc(F)ccc2N(C1=O)C)C)c1ccncc1

STL058391
Synonyms: 3-(5-oxoprolyl)-N-(pyridin-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
Smiles: O=C(C1CSCN1C(=O)C1CCC(=O)N1)NCc1ccncc1

STL058397
Synonyms: 5-chloro-4'-(furan-2-yl)-1,1'-dimethyl-3''-(prop-2-en-1-yl)-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
Smiles: C=CCN1C(=S)SC2(C1=O)C(CN(C12c2cc(Cl)ccc2N(C1=O)C)C)c1ccco1

STL058400
Synonyms: 4'-(furan-2-ylcarbonyl)-3'-(4-methylphenyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: Cc1ccc(cc1)C1=NOC2(C1C(=O)c1ccco1)C(=O)Nc1c2cccc1

STL058402
Synonyms: 5-chloro-1,1'-dimethyl-3''-(prop-2-en-1-yl)-4'-(pyridin-3-yl)-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
Smiles: C=CCN1C(=S)SC2(C1=O)C(CN(C12c2cc(Cl)ccc2N(C1=O)C)C)c1cccnc1

STL058407
Synonyms: 5-fluoro-3''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-(pyridin-3-yl)-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
Smiles: Fc1ccc2c(c1)C1(N(C)CC(C31SC(=S)N(C3=O)Cc1ccco1)c1cccnc1)C(=O)N2C

STL058409
Synonyms: N-(4-nitrophenyl)-2-(2-oxo-5-pentyltetrahydrofuran-3-yl)acetamide
Smiles: CCCCCC1CC(C(=O)O1)CC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STL058410
Synonyms: ethyl1-{[2-(5-methoxy-1,3-benzothiazol-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindol-7-yl]carbonyl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)C1C2C=CC3(C1C(=O)N(C3)c1nc3c(s1)ccc(c3)OC)O2

STL058426
Synonyms: 4-{[(5-nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylicacid
Smiles: OC(=O)C1CCC(CC1)CNc1ccc(cn1)[N+](=O)[O-]

STL058432
Synonyms: (5E)-5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(/C(=N\Nc2c(C)n(n(c2=O)c2ccccc2)C)/C1=O)O

STL058434
Synonyms: 2-{4-[4'-(furan-2-ylcarbonyl)-2-oxo-1,2-dihydro-4'H-spiro[indole-3,5'-[1,2]oxazol]-3'-yl]phenoxy}acetamide
Smiles: NC(=O)COc1ccc(cc1)C1=NOC2(C1C(=O)c1ccco1)C(=O)Nc1c2cccc1

STL058435
Synonyms: 2-(furan-2-ylmethyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: COc1cc(NC(=O)C2C3C=CC4(C2C(=O)N(C4)Cc2ccco2)O3)cc(c1OC)OC

STL058436
Synonyms: 2-[(E)-2-(5-chloro-1-methyl-1H-indol-3-yl)ethenyl]-1,6-dimethylpyridinium
Smiles: Clc1ccc2c(c1)c(/C=C/c1cccc([n+]1C)C)cn2C

STL058437
Synonyms: 2-[(6-ethyl-4-hydroxy-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(O)nc(nc1s2)SCC(=O)N

STL058438
Synonyms: 3-[(diphenylmethyl)amino]-1,2,4-triazin-5-ol
Smiles: Oc1cnnc(n1)NC(c1ccccc1)c1ccccc1

STL058448
Synonyms: N-nitropyridin-4-amine
Smiles: [O-][N+](=O)Nc1ccncc1

STL058449
Synonyms: N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: CC(CCNC(=O)C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)C

STL058450
Synonyms: ethyl3-[(5-hydroxy-1,2,4-triazin-3-yl)amino]benzoate
Smiles: CCOC(=O)c1cccc(c1)Nc1nncc(n1)O

STL058452
Synonyms: 4-({[(2,2-dimethyl-6-oxo-3,4,6,7,8,9-hexahydro-2H-cyclopenta[c]pyrano[2,3-h]chromen-10-yl)oxy]acetyl}amino)-N-(propan-2-yl)butanamide
Smiles: CC(NC(=O)CCCNC(=O)COc1cc2OC(C)(C)CCc2c2c1c1CCCc1c(=O)o2)C

STL058456
Synonyms: N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbonyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
Smiles: COCCNC(=O)c1sc2n(c1C)c(cn2)C(=O)c1cccc(c1)OC

STL058457
Synonyms: 5-fluoro-3''-(furan-2-ylmethyl)-1,1'-dimethyl-4'-(pyridin-4-yl)-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
Smiles: Fc1ccc2c(c1)C1(N(C)CC(C31SC(=S)N(C3=O)Cc1ccco1)c1ccncc1)C(=O)N2C

STL058458
Synonyms: 3-[(2-ethyl-6-methylphenyl)amino]-6-methyl-1,2,4-triazin-5-ol
Smiles: CCc1cccc(c1Nc1nnc(c(n1)O)C)C

STL058463
Synonyms: 3-(5-oxoprolyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide
Smiles: COc1cc(NC(=O)C2CSCN2C(=O)C2CCC(=O)N2)cc(c1OC)OC

STL058468
Synonyms: 4-[(E)-2-(2,5-dimethyl-1H-indol-3-yl)ethenyl]-1-methylpyridinium
Smiles: Cc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)c([nH]2)C

STL058474
Synonyms: 3'-(1,3-benzodioxol-5-ylcarbonyl)-4'-(4-chlorophenyl)-1'-methylspiro[indole-3,2'-pyrrolidin]-2(1H)-one
Smiles: Clc1ccc(cc1)C1CN(C2(C1C(=O)c1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1)C

STL058475
Synonyms: 4-[(E)-2-(5-fluoro-1H-indol-3-yl)ethenyl]-1-methylpyridinium
Smiles: Fc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)c[nH]2

STL058485
Synonyms: 4-[(E)-2-(1-ethyl-2-methyl-1H-indol-3-yl)ethenyl]-1-methylpyridinium
Smiles: CCn1c(C)c(c2c1cccc2)/C=C/c1cc[n+](cc1)C

STL058486
Synonyms: 4'-[(3,4-dimethoxyphenyl)carbonyl]-3'-(4-fluorophenyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(cc1OC)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)F

STL058492
Synonyms: 3'-(4-fluorophenyl)-4'-(furan-2-ylcarbonyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: Fc1ccc(cc1)C1=NOC2(C1C(=O)c1ccco1)C(=O)Nc1c2cccc1

STL058495
Synonyms: 5,6-dimethylthieno[2,3-d]pyrimidine-2,4-diol
Smiles: Oc1nc(O)c2c(n1)sc(c2C)C

STL058498
Synonyms: 4-{[cyclopentyl(morpholin-4-ylcarbonyl)amino]methyl}-1-(morpholin-4-ylcarbonyl)pyridinium
Smiles: O=C(N(C1CCCC1)Cc1cc[n+](cc1)C(=O)N1CCOCC1)N1CCOCC1

STL058500
Synonyms: 3'-(4-methylphenyl)-4'-(thiophen-2-ylcarbonyl)-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: Cc1ccc(cc1)C1=NOC2(C1C(=O)c1cccs1)C(=O)Nc1c2cccc1

STL058504
Synonyms: 3-(5-oxoprolyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
Smiles: O=C(C1CSCN1C(=O)C1CCC(=O)N1)Nc1ccc(cc1)C(F)(F)F

STL058515
Synonyms: 2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-N-(3-phenylpropyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: O=C(C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2)NCCCc1ccccc1

STL058520
Synonyms: 2-(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(2-methylcyclohexyl)acetamide
Smiles: O=C(Cn1c(=O)oc2c1cc(Cl)cc2)NC1CCCCC1C

STL058522
Synonyms: N-butyl-2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: CCCCNC(=O)C1C2C=CC3(C1C(=O)N(C3)c1noc(c1)C)O2

STL058529
Synonyms: 3-butyl-5-(2,4-dichlorobenzyl)-6-hydroxy-2-oxo-2,3-dihydropyrimidin-4-olate
Smiles: CCCCn1c(=O)nc(c(c1[O-])Cc1ccc(cc1Cl)Cl)O

STL058532
Synonyms: 5-acetyl-3-methyl-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Smiles: [O-]c1c(C(=O)C)c(=O)nc(n1C)S

STL058533
Synonyms: 4-({[(7-hydroxy-2-oxo-2H-chromen-4-yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1cc(=O)oc2c1ccc(c2)O)NCC1CCC(CC1)C(=O)O

STL058534
Synonyms: 1-[4-(piperidin-1-ylmethyl)-3-(propan-2-yloxy)phenyl]ethanone
Smiles: CC(Oc1cc(ccc1CN1CCCCC1)C(=O)C)C

STL058538
Synonyms: 2-(butan-2-yloxy)-N,N-dimethyl-2-oxo-N-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}ethanaminium
Smiles: CCC(OC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C)C

STL058540
Synonyms: 5-methoxy-1,1'-dimethyl-3''-(prop-2-en-1-yl)-4'-(thiophen-2-yl)-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
Smiles: C=CCN1C(=S)SC2(C1=O)C(CN(C12c2cc(OC)ccc2N(C1=O)C)C)c1cccs1

STL058541
Synonyms: 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate
Smiles: [O-]C(=O)c1nc(ncc1Cl)S(=O)(=O)C

STL058545
Synonyms: N-ethyl-2-hydroxy-2-phenylpropan-1-aminium
Smiles: CC[NH2+]CC(c1ccccc1)(O)C

STL058548
Synonyms: (2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazol-5-yl)methanolate
Smiles: CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C[O-])Cl

STL058549
Synonyms: 3-butyl-5-(4-fluorobenzyl)-6-hydroxy-2-oxo-2,3-dihydropyrimidin-4-olate
Smiles: CCCCn1c(=O)nc(c(c1[O-])Cc1ccc(cc1)F)O

STL058551
Synonyms: 5-(2,6-dichlorobenzyl)-6-hydroxy-3-(2-methylphenyl)-2-oxo-2,3-dihydropyrimidin-4-olate
Smiles: Oc1nc(=O)n(c(c1Cc1c(Cl)cccc1Cl)[O-])c1ccccc1C

STL058557
Synonyms: 2-[(E)-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethenyl]-1,6-dimethylpyridinium
Smiles: Fc1ccc2c(c1)c(/C=C/c1cccc([n+]1C)C)c([nH]2)C

STL058559
Synonyms: 3-(4-bromophenyl)-N,N-dimethyl-3-(pyridin-2-yl)propan-1-amine
Smiles: CN(CCC(c1ccccn1)c1ccc(cc1)Br)C

STL058564
Synonyms: 2-[(dioxido-lambda~5~-phosphanyl)methyl]butanedioate
Smiles: [O-]C(=O)CC(C(=O)[O-])CP(=O)[O-]

STL058566
Synonyms: 1-(4-ethylpiperazin-1-yl)-2-(4-hydroxyphthalazin-1-yl)ethanone
Smiles: CCN1CCN(CC1)C(=O)Cc1nnc(c2c1cccc2)O

STL058571
Synonyms: (2E)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-phenylprop-2-enamide
Smiles: O=C(Nc1n[nH]c(c1)c1ccc(cc1)Br)/C=C/c1ccccc1

STL058574
Synonyms: ethyl1-{N-[(4-hydroxyphthalazin-1-yl)acetyl]alanyl}piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)C(=O)C(NC(=O)Cc1nnc(c2c1cccc2)O)C

STL058576
Synonyms: 4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1ccccc1

STL058585
Synonyms: 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate
Smiles: [O-]C(=O)C(c1ccc(cc1)CC1CCCC1=O)C

STL058586
Synonyms: N-[(2E)-5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3,4,5-trimethoxybenzamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)/N=c/1\[nH]nc(s1)CC(=O)NCc1ccccc1

STL058588
Synonyms: 3-cycloheptyl-6-hydroxy-2-oxo-5-propanoyl-2,3-dihydropyrimidin-4-olate
Smiles: CCC(=O)c1c(O)nc(=O)n(c1[O-])C1CCCCCC1

STL058597
Synonyms: 3-cycloheptyl-6-hydroxy-2-oxo-2,3-dihydropyrimidin-4-olate
Smiles: [O-]c1cc(O)nc(=O)n1C1CCCCCC1

STL058598
Synonyms: [5-(cyclohexylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: COc1cc(OC)ccc1C1=NOC(C1)(CC(=O)O)C(=O)NC1CCCCC1

STL058600
Synonyms: (3E)-3-(hydroxyimino)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
Smiles: O/N=C/1\CC2(C(C1(C)CC2)(C)C)C(=O)[O-]

STL058602
Synonyms: N-{1-oxo-1-[(1-phenylethyl)amino]propan-2-yl}-4-{[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide
Smiles: CC(C(=O)NC(c1ccccc1)C)NC(=O)C1CCC(CC1)CNS(=O)(=O)c1ccccc1

STL058603
Synonyms: 4-[(E)-2-(1-ethyl-6-methoxy-1H-indol-3-yl)ethenyl]-1-methylpyridinium
Smiles: COc1ccc2c(c1)n(CC)cc2/C=C/c1cc[n+](cc1)C

STL058605
Synonyms: 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate
Smiles: OC(CC(CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1

STL058609
Synonyms: 2-(4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(4-methoxybenzyl)ethanaminium
Smiles: COc1ccc(cc1)C[NH2+]CCC1(O)CCOC(C1)(C)C

STL058612
Synonyms: 3'-(4-fluorophenyl)-4'-[(3-methoxyphenyl)carbonyl]-4'H-spiro[indole-3,5'-[1,2]oxazol]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)C1C(=NOC21C(=O)Nc1c2cccc1)c1ccc(cc1)F

STL058614
Synonyms: 4-({[(4-methylphenyl)sulfonyl]amino}methyl)-N-{2-oxo-2-[(1-phenylethyl)amino]ethyl}cyclohexanecarboxamide
Smiles: O=C(NC(c1ccccc1)C)CNC(=O)C1CCC(CC1)CNS(=O)(=O)c1ccc(cc1)C

STL058617
Synonyms: 5-acetyl-3-cycloheptyl-6-hydroxy-2-oxo-2,3-dihydropyrimidin-4-olate
Smiles: CC(=O)c1c(O)nc(=O)n(c1[O-])C1CCCCCC1

STL058618
Synonyms: {2-[(Z)-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate
Smiles: [O-]C(=O)COc1ccccc1/C=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O

STL058621
Synonyms: 3-cyclohexyl-6-hydroxy-2-oxo-5-propanoyl-2,3-dihydropyrimidin-4-olate
Smiles: CCC(=O)c1c(O)nc(=O)n(c1[O-])C1CCCCC1

STL058626
Synonyms: 4-[(E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-1-methylpyridinium
Smiles: C[n+]1ccc(cc1)/C=C/c1c2ccccc2n(c1C)C

STL058628
Synonyms: 4-[(E)-2-(1-ethyl-2,5-dimethyl-1H-indol-3-yl)ethenyl]-1-methylpyridinium
Smiles: CCn1c(C)c(c2c1ccc(c2)C)/C=C/c1cc[n+](cc1)C

STL058630
Synonyms: 2-(morpholin-4-ylmethyl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-ol
Smiles: Oc1nc(CN2CCOCC2)nc2c1C1(CCCCC1)Cc1c2cccc1

STL058639
Synonyms: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Smiles: N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F

STL058641
Synonyms: {[3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: [O-]C(=O)COc1ccc2c(c1)occ(c2=O)c1csc(n1)C

STL058645
Synonyms: 4-{[(phenylsulfonyl)amino]methyl}-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)CNS(=O)(=O)c1ccccc1)NCc1ccccn1

STL058648
Synonyms: [(7-ethyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]acetate
Smiles: CCn1c(SCC(=O)[O-])nc2c1c(O)nc(=O)n2C

STL058649
Synonyms: {[6-hydroxy-3-methyl-2-oxo-7-(2-phenoxyethyl)-3,7-dihydro-2H-purin-8-yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1nc2c(n1CCOc1ccccc1)c(O)nc(=O)n2C

STL058654
Synonyms: 6-hydroxy-2-sulfanyl-4-(thiophen-2-yl)-4,5-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(S)N=C(CC1c1cccs1)O

STL058659
Synonyms: 7-{2-hydroxy-3-[4-(methylsulfonyl)piperazin-1-yl]propoxy}-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
Smiles: OC(CN1CCN(CC1)S(=O)(=O)C)COc1ccc2c(c1)oc(=O)c1c2CCC1

STL058661
Synonyms: 4-(pyridin-4-ylmethyl)phthalazin-1-ol
Smiles: Oc1nnc(c2c1cccc2)Cc1ccncc1

STL058663
Synonyms: 2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-(thiophen-2-ylmethyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Smiles: O=c1n(nc2c1c(C)n(c(c2)[O-])Cc1cccs1)c1nc2c(s1)cccc2

STL058668
Synonyms: 5-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-tetrazol-1-yl)benzamide
Smiles: OCC(NC(=O)c1cc(Br)ccc1n1cnnn1)Cc1ccccc1

STL058670
Synonyms: (6E)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
Smiles: OC(CC(CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C

STL058671
Synonyms: (6-hydroxy-3-methyl-2-oxo-2,3-dihydro-7H-purin-7-yl)acetate
Smiles: [O-]C(=O)Cn1cnc2c1c(O)nc(=O)n2C

STL058673
Synonyms: 3-(8-bromo-6-hydroxy-3-methyl-2-oxo-2,3-dihydro-7H-purin-7-yl)propanoate
Smiles: [O-]C(=O)CCn1c(Br)nc2c1c(O)nc(=O)n2C

STL058674
Synonyms: (4aR,5R)-2'-hydroxy-8-nitro-1'-(propan-2-yl)-1,2,4,4a-tetrahydro-4'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: CC(N1C(=NC(=O)[C@@]2(C1=O)Cc1cc(ccc1N1[C@H]2COCC1)[N+](=O)[O-])O)C

STL058682
Synonyms: [(7-benzyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]acetate
Smiles: [O-]C(=O)CSc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

STL058688
Synonyms: 2-(1,3-benzothiazol-2-yl)-5-cyclopropyl-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Smiles: O=c1n(nc2c1c(C)n(c(c2)[O-])C1CC1)c1nc2c(s1)cccc2

STL058689
Synonyms: 7-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-4,8-dimethyl-2H-chromen-2-one
Smiles: OC(CN1CCN(CC1)c1ccccc1)COc1ccc2c(c1C)oc(=O)cc2C

STL058690
Synonyms: N,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine2-oxide
Smiles: ClCCNP1(=O)OCCCN1CCCl

STL058696
Synonyms: 7-{2-hydroxy-3-[(2-methoxyphenyl)amino]propoxy}-3,4-dimethyl-2H-chromen-2-one
Smiles: COc1ccccc1NCC(COc1ccc2c(c1)oc(=O)c(c2C)C)O

STL058702
Synonyms: 1-(3-chloro-4-methoxyphenyl)-4-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-2-one
Smiles: COc1ccc(cc1Cl)N1CC(CC1=O)c1onc(n1)c1ccc(cc1)N(C)C

STL058703
Synonyms: 2-(1,3-benzothiazol-2-yl)-5-[2-(4-hydroxyphenyl)ethyl]-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Smiles: Oc1ccc(cc1)CCn1c([O-])cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2

STL058710
Synonyms: 7-{3-[(4-acetylphenyl)amino]-2-hydroxypropoxy}-3,4-dimethyl-2H-chromen-2-one
Smiles: OC(CNc1ccc(cc1)C(=O)C)COc1ccc2c(c1)oc(=O)c(c2C)C

STL058714
Synonyms: [3-(acetylamino)tricyclo[3.3.1.1~3,7~]dec-1-yl]methylnitrate
Smiles: CC(=O)NC12CC3CC(C1)CC(C2)(C3)CO[N+](=O)[O-]

STL058716
Synonyms: 4-methyl-3-oxo-2-phenyl-5-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Smiles: [O-]c1cc2nn(c(=O)c2c(n1Cc1ccncc1)C)c1ccccc1

STL058719
Synonyms: (6-chloro-1H-indol-3-yl)(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)aceticacid
Smiles: OC(=O)C(c1c[nH]c2c1ccc(c2)Cl)N1CC2(CC1CC(C2)(C)C)C

STL058721
Synonyms: 1-(4-bromophenyl)-2-[(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc(nc1O)O

STL058725
Synonyms: N-[4-({3-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-2-hydroxypropyl}amino)phenyl]acetamide
Smiles: OC(COc1ccc2c(c1)oc(=O)c(c2C)C)CNc1ccc(cc1)NC(=O)C

STL058726
Synonyms: 7-{2-hydroxy-3-[4-(pyridin-2-yl)piperazin-1-yl]propoxy}-3,4-dimethyl-2H-chromen-2-one
Smiles: OC(CN1CCN(CC1)c1ccccn1)COc1ccc2c(c1)oc(=O)c(c2C)C

STL058728
Synonyms: 7-{2-hydroxy-3-[4-(pyridin-2-yl)piperazin-1-yl]propoxy}-3,4,8-trimethyl-2H-chromen-2-one
Smiles: OC(CN1CCN(CC1)c1ccccn1)COc1ccc2c(c1C)oc(=O)c(c2C)C

STL058730
Synonyms: N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-[4-(1H-tetrazol-1-yl)phenoxy]acetamide
Smiles: O=C(N(C1CC1)Cc1ccc2c(c1)cc[nH]2)COc1ccc(cc1)n1cnnn1

STL058732
Synonyms: methyl4-({[2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl]carbonyl}amino)benzoate
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1ccc(cc1)C(=O)OC

STL058739
Synonyms: 2'-(2-methoxyethyl)-N-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)NCC(C)C

STL058743
Synonyms: benzyl6-(4-ethoxyphenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
Smiles: CCOc1ccc(cc1)C1NC(=NC(=C1C(=O)OCc1ccccc1)C)O

STL058744
Synonyms: 4-(dimethylsulfamoyl)-N-[2-(phenylsulfonyl)-2-(pyridin-3-yl)ethyl]benzamide
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N(C)C)NCC(S(=O)(=O)c1ccccc1)c1cccnc1

STL058747
Synonyms: N'-[(1E)-1-(2,4-dihydroxyquinolin-3-yl)ethylidene]-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
Smiles: C/C(=N\NC(=O)c1c(O)c2ccccc2n(c1=O)C)/c1c(O)nc2c(c1O)cccc2

STL058751
Synonyms: [1-(carboxymethyl)-6-fluoro-1H-indol-3-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)aceticacid
Smiles: OC(=O)Cn1cc(c2c1cc(F)cc2)C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL058756
Synonyms: ethyl6-(3-chlorophenyl)-2-hydroxy-4-phenyl-1,6-dihydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(N=C(NC1c1cccc(c1)Cl)O)c1ccccc1

STL058763
Synonyms: 5-fluoro-5'-phenyl-2',4'-dihydrospiro[indole-3,3'-pyrazol]-2(1H)-one
Smiles: Fc1ccc2c(c1)C1(NN=C(C1)c1ccccc1)C(=O)N2

STL058765
Synonyms: 2-(1-aminoethylidene)-5,5-dimethylcyclohexane-1,3-dione
Smiles: CC(=C1C(=O)CC(CC1=O)(C)C)N

STL058769
Synonyms: N-(2-methoxybenzyl)-2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)NCc1ccccc1OC

STL058775
Synonyms: N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-[4-(1H-tetrazol-1-yl)phenoxy]acetamide
Smiles: O=C(N(C1CC1)Cc1ccc2c(c1)[nH]cc2)COc1ccc(cc1)n1cnnn1

STL058777
Synonyms: 1-hydroxy-5-oxo-9-oxa-2,4-diazaspiro[5.5]undeca-1,3-diene-3-thiolate
Smiles: [S-]C1=NC(=O)C2(C(=N1)O)CCOCC2

STL058780
Synonyms: 2'-(2-methoxyethyl)-1'-oxo-N-(propan-2-yl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)NC(C)C

STL058784
Synonyms: 2'-(2-methoxyethyl)-1'-oxo-N-(1,3-thiazol-2-yl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1nccs1

STL058786
Synonyms: 2'-(2-methoxyethyl)-N-(3-methylpyridin-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1ncccc1C

STL058788
Synonyms: 4-({3-[carboxy(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1H-indol-6-yl}amino)-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)Nc1ccc2c(c1)[nH]cc2C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL058789
Synonyms: 5-[(2Z)-3-chlorobut-2-en-1-yl]-2,6-dihydroxy-5-[(2-oxopyrrolidin-1-yl)methyl]pyrimidin-4(5H)-one
Smiles: C/C(=C/CC1(CN2CCCC2=O)C(=NC(=NC1=O)O)O)/Cl

STL058793
Synonyms: 2'-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1scc(n1)C

STL058794
Synonyms: [1-(carboxymethyl)-1H-indol-3-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)aceticacid
Smiles: OC(=O)Cn1cc(c2c1cccc2)C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL058795
Synonyms: methyl4-{[(2'-benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl)carbonyl]amino}butanoate
Smiles: COC(=O)CCCNC(=O)C1c2ccccc2C(=O)N(C21CCCC2)Cc1ccccc1

STL058796
Synonyms: N-cyclopropyl-N-(1H-indol-4-ylmethyl)-2-[4-(1H-tetrazol-1-yl)phenoxy]acetamide
Smiles: O=C(N(C1CC1)Cc1cccc2c1cc[nH]2)COc1ccc(cc1)n1cnnn1

STL058797
Synonyms: 2'-(2-methoxyethyl)-N-(3-methoxyphenyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1cccc(c1)OC

STL058799
Synonyms: 3-{6-bromo-3-[carboxy(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1H-indol-1-yl}propanoicacid
Smiles: OC(=O)CCn1cc(c2c1cc(Br)cc2)C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL058800
Synonyms: 2'-(2-methoxyethyl)-1'-oxo-N-phenyl-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1ccccc1

STL058802
Synonyms: N-(4-acetylphenyl)-2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1ccc(cc1)C(=O)C

STL058803
Synonyms: N-cycloheptyl-2,3-dihydroxyquinoxaline-6-carboxamide
Smiles: O=C(c1ccc2c(c1)nc(c(n2)O)O)NC1CCCCCC1

STL058805
Synonyms: 2'-(2-methoxyethyl)-1'-oxo-N-(pyridin-2-yl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)Nc1ccccn1

STL058809
Synonyms: methylN-[(2'-benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl)carbonyl]glycinate
Smiles: COC(=O)CNC(=O)C1c2ccccc2C(=O)N(C21CCCC2)Cc1ccccc1

STL058811
Synonyms: 2'-(2-methoxyethyl)-1'-oxo-N-(3-phenylpropyl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)NCCCc1ccccc1

STL058812
Synonyms: (2E)-4-({3-[carboxy(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1H-indol-6-yl}amino)-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)Nc1ccc2c(c1)[nH]cc2C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL058816
Synonyms: methylN-[(2'-benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl)carbonyl]-beta-alaninate
Smiles: COC(=O)CCNC(=O)C1c2ccccc2C(=O)N(C21CCCC2)Cc1ccccc1

STL058823
Synonyms: 1'-bromo-1'-fluoro-1a',1b',2',5',5a',6a'-hexahydro-1'H-dispiro[cyclopropane-1,6'-[2,5]methanocyclopropa[a]indene-7',1''-cyclopropane]
Smiles: FC1(Br)C2C1C1(C3C2C2C=CC3C32CC3)CC1

STL058825
Synonyms: 6,6-dimethyl-5,7-dinitrospiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indol]-2'(1'H)-one
Smiles: O=C1Nc2c(C31N1CC4(CN3CC(C1)(C4(C)C)[N+](=O)[O-])[N+](=O)[O-])cccc2

STL058830
Synonyms: 2-amino-3,5-dicyano-6-(dimethylamino)-4-(4-methoxyphenyl)pyranium
Smiles: COc1ccc(cc1)c1c(C#N)c(N)[o+]c(c1C#N)N(C)C

STL058831
Synonyms: 3-cyclohexyl-3-hydroxy-N,N,N-trimethyl-3-[4-(propan-2-yloxy)phenyl]propan-1-aminium
Smiles: CC(Oc1ccc(cc1)C(C1CCCCC1)(CC[N+](C)(C)C)O)C

STL058833
Synonyms: (2E)-2,3-dichloro-N,N-dimethyl-3-phenyl-N-(prop-2-en-1-yl)prop-2-en-1-aminium
Smiles: C=CC[N+](C/C(=C(/c1ccccc1)\Cl)/Cl)(C)C

STL058835
Synonyms: 1,1,1-trimethyl-2-(naphthalen-1-ylacetyl)hydrazinium
Smiles: O=C(N[N+](C)(C)C)Cc1cccc2c1cccc2

STL058839
Synonyms: (2E,4E)-3-methyl-4-(4-nitrobenzylidene)pent-2-enedioate
Smiles: [O-]C(=O)/C=C(/C(=C\c1ccc(cc1)[N+](=O)[O-])/C(=O)[O-])\C

STL058840
Synonyms: 2-cyano-3,3-dimethyl-4-oxopentanoate
Smiles: N#CC(C(C(=O)C)(C)C)C(=O)[O-]

STL058844
Synonyms: 4-amino-1-[2-(4-nitrophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Cn1nc[n+](c1)N

STL058845
Synonyms: 1-(2-chlorobenzyl)-1-[4-hydroxy-4-(1-methylcyclopentyl)-4-phenylbut-2-yn-1-yl]piperidinium
Smiles: Clc1ccccc1C[N+]1(CCCCC1)CC#CC(C1(C)CCCC1)(c1ccccc1)O

STL058846
Synonyms: 4-amino-1-[2-(2-nitrophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Smiles: N[n+]1cnn(c1)CC(=O)c1ccccc1[N+](=O)[O-]

STL058847
Synonyms: 1,1'-heptane-1,7-diylbis(1-methylazepanium)
Smiles: C[N+]1(CCCCCCC[N+]2(C)CCCCCC2)CCCCCC1

STL058848
Synonyms: 4-(4-butoxyphenyl)-4-cyano-1,1-dimethylpiperidinium
Smiles: CCCCOc1ccc(cc1)C1(C#N)CC[N+](CC1)(C)C

STL058850
Synonyms: (5-sulfanyl-1H-tetrazol-1-yl)acetate
Smiles: [O-]C(=O)Cn1nnnc1S

STL058854
Synonyms: 2-tert-butyl-5-phenyl-2H-tetrazol-2-ium
Smiles: CC([NH+]1N=NC(=N1)c1ccccc1)(C)C

STL058856
Synonyms: (E)-1-cyclohexyl-N-hydroxy-1-(pyridin-2-yl)methanimine
Smiles: O/N=C(/c1ccccn1)\C1CCCCC1

STL058859
Synonyms: 2-{1-[2-(3-carbamoylpyridinium-1-yl)ethyl]pyridinium-4-yl}ethanesulfonate
Smiles: NC(=O)c1ccc[n+](c1)CC[n+]1ccc(cc1)CCS(=O)(=O)[O-]

STL058860
Synonyms: 2-(benzyloxy)-N,N,N',N'-tetraethyl-N,N'-dimethylpropane-1,3-diaminium
Smiles: CC[N+](CC(C[N+](CC)(CC)C)OCc1ccccc1)(CC)C

STL058864
Synonyms: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-[(2-hydroxyethyl)amino]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: OCCNc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3

STL058865
Synonyms: 2-(benzyloxy)-N,N,N,N',N',N'-hexamethylpropane-1,3-diaminium
Smiles: C[N+](CC(C[N+](C)(C)C)OCc1ccccc1)(C)C

STL058868
Synonyms: 6,7-dichloro-2,2-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-isoindolium
Smiles: ClC1=C(Cl)C2C(CC1)C[N+](C2)(C)C

STL058873
Synonyms:
Smiles: O/N=C(\C(=[N+](\[Co](/[N+](=C(/C(=N\O)/C)\C)/[O-])Br)/[O-])\C)/C

STL058880
Synonyms: 1-methyl-1-[3-(4-methylphenyl)prop-2-yn-1-yl]piperidinium
Smiles: Cc1ccc(cc1)C#CC[N+]1(C)CCCCC1

STL058884
Synonyms: ethyl5,5-dimethyl-2-{[3-(piperidin-1-yl)propanoyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCN2CCCCC2)sc2c1CC(C)(C)OC2

STL058889
Synonyms:
Smiles: O/N=C(\C(=[N+](\[Co](/[N+](=C(/C(=N\O)/C)\C)/[O-])Cl)/[O-])\C)/C

STL058896
Synonyms: 1-phenyl-3-(piperidin-1-yl)propan-1-ol
Smiles: OC(c1ccccc1)CCN1CCCCC1

STL058907
Synonyms: 5'-acetyl-3'-cyano-6'-methyl-1',2',3',4'-tetrahydro-3,4'-bipyridine-2'-thiolate
Smiles: N#CC1C([S-])NC(=C(C1c1cccnc1)C(=O)C)C

STL058908
Synonyms: 4-(2,2-diphenylcyclopropyl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)C1CC1(c1ccccc1)c1ccccc1

STL058909
Synonyms: N-(1-benzofuran-2-ylmethyl)-N,N,N'-triethyl-N',N'-dimethylhexane-1,6-diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCCC[N+](CC)(C)C)CC

STL058910
Synonyms: 2-[(3-carboxypropanoyl)oxy]-N,N,N-trimethylethanaminium
Smiles: OC(=O)CCC(=O)OCC[N+](C)(C)C

STL058911
Synonyms: 4-[(2Z)-3-chlorobut-2-en-1-yl]-4-[3-(naphthalen-1-yl)prop-2-yn-1-yl]morpholin-4-ium
Smiles: C/C(=C/C[N+]1(CCOCC1)CC#Cc1cccc2c1cccc2)/Cl

STL058912
Synonyms: 2-[(morpholin-4-ylcarbonothioyl)sulfanyl]propanoate
Smiles: CC(C(=O)[O-])SC(=S)N1CCOCC1

STL058919
Synonyms: 5,7-dimethyl-6-oxo-1-(2-oxo-2-phenylethyl)-3-aza-1-azoniatricyclo[3.3.1.1~3,7~]decane
Smiles: O=C1C2(C)CN3CC1(C)C[N+](C2)(C3)CC(=O)c1ccccc1

STL058921
Synonyms: (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoate
Smiles: [O-]C(=O)/C=C(\C=C\c1ccco1)/C

STL058923
Synonyms: 4-methylpiperazine-1-carbodithioate
Smiles: CN1CCN(CC1)C(=S)[S-]

STL058924
Synonyms: 1-(3,3-dimethyl-2-oxobutyl)tetrahydrothiophenium
Smiles: O=C(C(C)(C)C)C[S+]1CCCC1

STL058928
Synonyms: N-(1-benzofuran-2-ylmethyl)-N,N'-diethyl-N,N',N'-trimethyldecane-1,10-diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCCCCCCC[N+](CC)(C)C)C

STL058932
Synonyms: (2Z,4E)-5-(4-iodophenyl)-3-methylpenta-2,4-dienoate
Smiles: C/C(=C/C(=O)[O-])/C=C/c1ccc(cc1)I

STL058935
Synonyms: N-(1-benzofuran-2-ylmethyl)-N,N'-diethyl-N,N',N'-trimethylheptane-1,7-diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCCCC[N+](CC)(C)C)C

STL058939
Synonyms: 4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoate
Smiles: [O-]C(=O)CCCNc1nc(C)cc(n1)C

STL058945
Synonyms: N,N-dimethyl-N-(2-oxo-2-phenylethyl)but-2-yn-1-aminium
Smiles: CC#CC[N+](CC(=O)c1ccccc1)(C)C

STL058950
Synonyms: 5-[(1Z)-3-hydroxy-2-methylprop-1-en-1-yl]-2-methylfuran-3-carboxylate
Smiles: OC/C(=C\c1oc(c(c1)C(=O)[O-])C)/C

STL058952
Synonyms: 3-(3-propoxyphenyl)propanoate
Smiles: CCCOc1cccc(c1)CCC(=O)[O-]

STL058953
Synonyms: 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium
Smiles: O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C

STL058954
Synonyms: diphenyl(propan-2-yloxy)acetate
Smiles: CC(OC(c1ccccc1)(c1ccccc1)C(=O)[O-])C

STL058957
Synonyms: 5,5,6,6-tetramethyl-1,4-bis(prop-2-en-1-yloxy)piperazine-2,3-dione
Smiles: C=CCON1C(=O)C(=O)N(C(C1(C)C)(C)C)OCC=C

STL058963
Synonyms: 2-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}-N'-(propan-2-ylidene)acetohydrazide
Smiles: O=C(CSc1nc(C)cc(n1)N1CCOCC1)NN=C(C)C

STL058969
Synonyms: 1-(4-cyclopropylphenyl)propan-1-one
Smiles: CCC(=O)c1ccc(cc1)C1CC1

STL058973
Synonyms: 4-methyl-8-oxa-2,3-diazaspiro[4.5]dec-3-en-1-one
Smiles: O=C1NN=C(C21CCOCC2)C

STL058980
Synonyms: 7,8,8-trimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-4,7-methanoindazole
Smiles: FC(c1[nH]nc2c1C1CCC2(C1(C)C)C)(F)F

STL058983
Synonyms: 4-{(1E,3E)-3-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]prop-1-en-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate
Smiles: [O-]C(=O)C1=NN(C(=O)/C/1=C/C=C/c1c(nn(c1O)c1ccc(cc1)S(=O)(=O)[O-])C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]

STL058987
Synonyms: 2-butoxy-N,N-dimethyl-2-oxo-N-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}ethanaminium
Smiles: CCCCOC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C

STL058994
Synonyms: N-(cyanomethyl)-N,N-dimethyl-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanaminium
Smiles: N#CC[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C

STL059004
Synonyms: 8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=O)n2C

STL059007
Synonyms: (2E)-2,3-dichloro-N,N-dimethyl-3-phenyl-N-(3-phenylprop-1-yn-1-yl)prop-2-en-1-aminium
Smiles: Cl/C(=C(\C[N+](C#CCc1ccccc1)(C)C)/Cl)/c1ccccc1

STL059014
Synonyms: 4,4'-(benzene-1,4-diyldiprop-1-yne-1,3-diyl)bis[4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium]
Smiles: O1CC[N+](CC1)(CC#Cc1ccc(cc1)C#CC[N+]1(CCOCC1)CC#Cc1ccccc1)CC#Cc1ccccc1

STL059018
Synonyms: 2,3-dihydro-1-benzofuran-2-yl-N,N,N-trimethylmethanaminium
Smiles: C[N+](CC1Cc2c(O1)cccc2)(C)C

STL059023
Synonyms: benzyl{[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OCc2ccccc2)nc(c(c1c1cccc(c1)F)C#N)N

STL059025
Synonyms: 6-methyl-2-(2-oxo-2-phenylethyl)-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium
Smiles: CCCC1=[N+](CCn2c1ccc2C)CC(=O)c1ccccc1

STL059026
Synonyms: carboxy-N,N-dimethyl-N-[(trimethylsilyl)methyl]methanaminium
Smiles: OC(=O)C[N+](C[Si](C)(C)C)(C)C

STL059034
Synonyms: 3-[4-(morpholin-4-yl)but-2-yn-1-yl]-5-pentyldihydrofuran-2(3H)-one
Smiles: CCCCCC1OC(=O)C(C1)CC#CCN1CCOCC1

STL059035
Synonyms: 1-(2,3-dichloropropyl)pyridinium
Smiles: ClCC(C[n+]1ccccc1)Cl

STL059036
Synonyms: 4-(4-phenyl-1,3-thiazol-2-yl)-1-oxaspiro[4.5]decan-2-one
Smiles: O=C1CC(C2(O1)CCCCC2)c1scc(n1)c1ccccc1

STL059040
Synonyms: dimethyl2,6-dioxobicyclo[3.3.1]nonane-1,5-dicarboxylate
Smiles: COC(=O)C12CCC(=O)C(C1)(CCC2=O)C(=O)OC

STL059046
Synonyms: 1-[2-(furan-2-yl)-2-oxoethyl]-3-propyl-1,3-dihydro-2H-benzimidazol-2-iminium
Smiles: CCCn1c(=[NH2+])n(c2c1cccc2)CC(=O)c1ccco1

STL059048
Synonyms: 4-[3-(benzyloxy)-2-(pentanoyloxy)propyl]-4-methylmorpholin-4-ium
Smiles: CCCCC(=O)OC(C[N+]1(C)CCOCC1)COCc1ccccc1

STL059050
Synonyms: 2,6-dioxo-5-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: O=C1NC(=O)N=C(C1/C=C/1\C=CC=CC1=O)[O-]

STL059059
Synonyms: N,N-dimethyl-N-{2-oxo-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}prop-2-en-1-aminium
Smiles: C=CC[N+](CC(=O)OC1CC2C(C1(C)CC2)(C)C)(C)C

STL059060
Synonyms: 4-methyl-N-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1nc2c(n1CCN1CCCCC1)cccc2

STL059063
Synonyms: 2-ethoxy-N,N-dimethyl-2-oxo-N-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}ethanaminium
Smiles: CCOC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C

STL059065
Synonyms: 2-[2-(diethylamino)ethoxy]ethyl2-ethyl-2-phenylbutanoate
Smiles: CCN(CCOCCOC(=O)C(c1ccccc1)(CC)CC)CC

STL059067
Synonyms: 2-methoxy-N,N-dimethyl-2-oxo-N-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}ethanaminium
Smiles: COC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C

STL059069
Synonyms: 2-{[(E)-(2-hydroxyphenyl)methylidene]amino}ethylsulfate
Smiles: Oc1ccccc1/C=N/CCOS(=O)(=O)[O-]

STL059070
Synonyms: 1,1'-(2-chloropropane-1,3-diyl)dipyridinium
Smiles: ClC(C[n+]1ccccc1)C[n+]1ccccc1

STL059071
Synonyms: 3-chloro-N-[3-(4-chlorophenyl)prop-2-yn-1-yl]-N,N-dimethylbut-3-en-1-aminium
Smiles: ClC(=C)CC[N+](CC#Cc1ccc(cc1)Cl)(C)C

STL059074
Synonyms: 2-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium
Smiles: CCOc1ccc(cc1)C(=O)C[N+]1=C(C)c2n(CC1)c(cc2)C

STL059078
Synonyms: 4-{[diethyl(methyl)silyl]methoxy}-N,N,N-trimethyl-4-oxobutan-1-aminium
Smiles: CC[Si](COC(=O)CCC[N+](C)(C)C)(CC)C

STL059086
Synonyms: 2-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methyl-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium
Smiles: CCCC1=[N+](CCn2c1ccc2C)CC(=O)c1ccc(cc1)OCC

STL059087
Synonyms: N-(1-benzofuran-2-ylmethyl)-N,N,N',N',N'-pentaethylethane-1,2-diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CC[N+](CC)(CC)CC)CC

STL059090
Synonyms: 3,12-bis[2-hydroxy-3-(morpholin-4-yl)propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane
Smiles: OC(CN1CCOCC1)CN1CC[N+]2(CC1)CC[N+]1(CC2)CCN(CC1)CC(CN1CCOCC1)O

STL059094
Synonyms: 3-(4-chlorophenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione
Smiles: Clc1ccc(cc1)C1OC(=O)C2(C(=O)C1(C)C)CCCCC2

STL059095
Synonyms: 2-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium
Smiles: CCCC1=[N+](CCn2c1ccc2)CC(=O)c1ccc(cc1)OCC

STL059100
Synonyms: N,N-dimethyl-2-oxo-2-propoxy-N-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}ethanaminium
Smiles: CCCOC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C

STL059102
Synonyms: 2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
Smiles: COc1ccc(cc1)C1OCCC2(O1)CCCCC2

STL059104
Synonyms: 4-{[3-(dimethylamino)propyl]amino}-1-oxaspiro[4.5]dec-3-en-2-one
Smiles: CN(CCCNC1=CC(=O)OC21CCCCC2)C

STL059106
Synonyms: 7-methyl-4,5-dihydro-6H-imidazo[4,5-e][2,1,3]benzoxadiazol-6-ol
Smiles: On1c(C)nc2c1CCc1c2non1

STL059107
Synonyms: N-(1-benzofuran-2-ylmethyl)-N,N'-diethyl-N,N',N'-trimethylethane-1,2-diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CC[N+](CC)(C)C)C

STL059116
Synonyms: N-benzyl-N,N-dimethyl-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanaminium
Smiles: CC12CCC(C2(C)C)CC1OCC[N+](Cc1ccccc1)(C)C

STL059123
Synonyms: N,N-dibutyl-4-hydroxy-N-(3-phenylprop-2-yn-1-yl)but-2-yn-1-aminium
Smiles: CCCC[N+](CC#CCO)(CC#Cc1ccccc1)CCCC

STL059129
Synonyms: 2,2'-[benzene-1,4-diylbis(oxy)]bis(1,7,7-trimethylbicyclo[2.2.1]heptane)
Smiles: CC12CCC(C2(C)C)CC1Oc1ccc(cc1)OC1CC2C(C1(C)CC2)(C)C

STL059131
Synonyms: (2Z,4E)-2,3-dichloro-4-[2-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)hydrazinylidene]but-2-enoicacid
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)N/N=C/C(=C(\C(=O)O)/Cl)/Cl

STL059140
Synonyms: 2,2'-[(1,9-dioxononane-1,9-diyl)disulfanediyl]bis(N,N,N-trimethylethanaminium)
Smiles: O=C(SCC[N+](C)(C)C)CCCCCCCC(=O)SCC[N+](C)(C)C

STL059145
Synonyms: ethyl3-{[N-(1,3-dioxolan-2-ylmethyl)-N-methylglycyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN(CC1OCCO1)C)cc(cc2)OC

STL059147
Synonyms: 4-[(diphenylacetyl)amino]butanoate
Smiles: O=C(C(c1ccccc1)c1ccccc1)NCCCC(=O)[O-]

STL059154
Synonyms: N,N,N-trimethyl-3-oxo-3-(4-propoxyphenyl)propan-1-aminium
Smiles: CCCOc1ccc(cc1)C(=O)CC[N+](C)(C)C

STL059157
Synonyms: 3-(4-bromo-5-oxido-1,2,5-oxadiazol-3-yl)tricyclo[3.3.1.1~3,7~]dec-1-ylnitrate
Smiles: [O-][N+](=O)OC12CC3CC(C1)CC(C2)(C3)c1no[n+](c1Br)[O-]

STL059163
Synonyms: 2-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium
Smiles: CCOc1ccc(cc1)C(=O)C[N+]1=C(CC)c2n(CC1)c(cc2)C

STL059165
Synonyms: 1-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium
Smiles: CCC1=[N+](CCn2c1ccc2C)CC(=O)c1ccc(cc1)OC

STL059166
Synonyms: 1-{2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]ethyl}-3-(ethoxycarbonyl)pyridinium
Smiles: CCOC(=O)c1ccc[n+](c1)CCON1C(=O)c2c(C1=O)cccc2

STL059169
Synonyms: 4-[(pyridin-3-ylcarbonyl)amino]butanoate
Smiles: [O-]C(=O)CCCNC(=O)c1cccnc1

STL059172
Synonyms: N,N-dimethyl-1-oxo-1-phenyl-N-(prop-2-en-1-yl)pent-4-en-2-aminium
Smiles: C=CCC([N+](CC=C)(C)C)C(=O)c1ccccc1

STL059176
Synonyms: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium
Smiles: CCCC1=[N+](CCn2c1ccc2)CC(=O)c1ccc(cc1)OC

STL059177
Synonyms: 4'H-spiro[cyclohexane-1,3'-isoquinoline]
Smiles: C1CCC2(CC1)N=Cc1c(C2)cccc1

STL059183
Synonyms: N,N-dimethylquinolin-6-amine
Smiles: CN(c1ccc2c(c1)cccn2)C

STL059185
Synonyms: 1-(2-methoxy-2-oxoethyl)-1-(3-methylbut-2-en-1-yl)piperidinium
Smiles: COC(=O)C[N+]1(CCCCC1)CC=C(C)C

STL059189
Synonyms: 1-ethyl-2-[(1E,3Z)-3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium
Smiles: CC[n+]1c(/C=C/C=c\2/ccc3c(n2CC)cccc3)ccc2c1cccc2

STL059190
Synonyms: 1,2,3,4,5,6,7,8,9,10-decahydro-5,9-methanobenzo[8]annulen-11-amine
Smiles: NC1C2CCCC1C1=C(C2)CCCC1

STL059191
Synonyms: N,N-diethyl-N-(prop-2-yn-1-yl)pent-4-en-2-yn-1-aminium
Smiles: C#CC[N+](CC#CC=C)(CC)CC

STL059194
Synonyms: 3-ethyl-2-[(1E,3E)-3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium
Smiles: CC[n+]1c(/C=C/C=c\2/sc3c(n2CC)cccc3)sc2c1cccc2

STL059195
Synonyms: 3-carbamoyl-1-[2-(2-methyl-5-oxotetrahydrofuran-2-yl)-2-oxoethyl]pyridinium
Smiles: O=C1CCC(O1)(C)C(=O)C[n+]1cccc(c1)C(=O)N

STL059198
Synonyms: 2-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridinium
Smiles: C[n+]1ccccc1/C=C/c1c[nH]c2c1cccc2

STL059203
Synonyms: (2E)-3-(2-methoxyphenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one
Smiles: COc1ccccc1/C=C/C(=O)C12CC3CC(C2)CC(C1)C3

STL059206
Synonyms: 3-benzyl-3,4-dihydro-2H-1,4-ethanoquinolin-3-ol
Smiles: OC1(Cc2ccccc2)CN2CCC1c1c2cccc1

STL059210
Synonyms: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,N,N-trimethyl-2-oxoethanaminium
Smiles: O=C(c1ccc2c(c1)OCCCO2)C[N+](C)(C)C

STL059211
Synonyms: (2E,4E)-3-methyl-4-(pyridin-3-ylmethylidene)pent-2-enedioate
Smiles: [O-]C(=O)/C=C(/C(=C\c1cccnc1)/C(=O)[O-])\C

STL059213
Synonyms: N-{2-[hydroxy(phenyl)methyl]-4,5-dimethoxyphenyl}acetamide
Smiles: COc1cc(c(cc1OC)NC(=O)C)C(c1ccccc1)O

STL059214
Synonyms: 3-(1-hydroxycyclohexyl)-5-phenyl-1,2-oxazolidin-3-ol
Smiles: OC1(NOC(C1)c1ccccc1)C1(O)CCCCC1

STL059216
Synonyms: 4-[4-(3-methoxyphenoxy)-1H-pyrazol-3-yl]-2-methylbenzene-1,3-diol
Smiles: COc1cccc(c1)Oc1c[nH]nc1c1ccc(c(c1O)C)O

STL059217
Synonyms: N,N,N,2,2-pentamethyl-3-{[(3-methyl-1-benzofuran-2-yl)carbonyl]oxy}propan-1-aminium
Smiles: O=C(c1oc2c(c1C)cccc2)OCC(C[N+](C)(C)C)(C)C

STL059219
Synonyms: 2-{(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-3-methyl-1,3-benzothiazol-3-ium
Smiles: CN(c1ccc(cc1)/C=C/C=C/c1sc2c([n+]1C)cccc2)C

STL059222
Synonyms: 2,2'-(9-ethyl-9H-carbazole-3,6-diyl)diaceticacid
Smiles: CCn1c2ccc(cc2c2c1ccc(c2)CC(=O)O)CC(=O)O

STL059224
Synonyms: N-[2-(4-butyl-2-methyl-5-oxotetrahydrofuran-2-yl)-2-oxoethyl]pyridin-2-aminium(non-preferredname)
Smiles: CCCCC1CC(OC1=O)(C)C(=O)C[NH2+]c1ccccn1

STL059226
Synonyms: N-(1-phenylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
Smiles: CC(Cc1ccccc1)NC1CN2CCC1CC2

STL059227
Synonyms: 3a-(2-methoxypropan-2-yl)-2-(propan-2-yl)octahydro[1,2]oxazolo[2,3-a]benzimidazole-2,4(2H)-diol
Smiles: COC(C12CC(ON1C1C(N2O)CCCC1)(O)C(C)C)(C)C

STL059228
Synonyms: [benzene-1,2,4,5-tetrayltetrakis(carbonyliminobenzene-4,1-diylsulfonyl)]tetrakis(1,3-thiazol-2-ylazanide)
Smiles: O=C(c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)[N-]c2nccs2)c(cc1C(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)C(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1

STL059233
Synonyms: N-(dimethylcarbamothioyl)-3,5,7-trimethyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: S=C(N(C)C)NC(=O)C12CC3(C)CC(C2)(CC(C1)(C3)C)C

STL059235
Synonyms: (4,5-dimethylfuran-2-yl)-N,N,N-trimethylmethanaminium
Smiles: Cc1oc(cc1C)C[N+](C)(C)C

STL059239
Synonyms: 1-methyl-3-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]pyridinium
Smiles: C[n+]1cccc(c1)/C=C/1\N=C(OC1=O)c1ccccc1

STL059240
Synonyms: N,N-dimethyl-N-(prop-2-yn-1-yl)decan-1-aminium
Smiles: CCCCCCCCCC[N+](CC#C)(C)C

STL059242
Synonyms: 2,2'-{sulfanediylbis[(1-oxopropane-3,1-diyl)oxy]}bis(N,N,N-trimethylethanaminium)
Smiles: O=C(OCC[N+](C)(C)C)CCSCCC(=O)OCC[N+](C)(C)C

STL059246
Synonyms: N-(4H-1,3-benzodioxin-2-ylmethyl)-1-phenylcyclopentanecarboxamide
Smiles: O=C(C1(CCCC1)c1ccccc1)NCC1OCc2c(O1)cccc2

STL059247
Synonyms: 1-(4-ethoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole-5-thiolate
Smiles: CCOc1ccc(cc1[N+](=O)[O-])Cn1c(C)nc(c1[S-])[N+](=O)[O-]

STL059248
Synonyms: N,N-diethyl-N-methyl-3-{[(1-phenylcyclopentyl)carbonyl]oxy}propan-1-aminium
Smiles: CC[N+](CCCOC(=O)C1(CCCC1)c1ccccc1)(CC)C

STL059250
Synonyms: 2-phenyl-3-(phenylcarbonyl)indolizine-7-carboxylate
Smiles: O=C(c1c(cc2n1ccc(c2)C(=O)[O-])c1ccccc1)c1ccccc1

STL059257
Synonyms: 3-acetyl-2-(4-chlorophenyl)indolizine-6-carboxylate
Smiles: Clc1ccc(cc1)c1cc2n(c1C(=O)C)cc(cc2)C(=O)[O-]

STL059260
Synonyms: N-(1-benzofuran-2-ylmethyl)-N,N',N',N'-tetraethyl-N-methylpentane-1,5-diaminium
Smiles: CC[N+](Cc1cc2c(o1)cccc2)(CCCCC[N+](CC)(CC)CC)C

STL059264
Synonyms: 4-[2-(ethylsulfanyl)-1H-benzimidazol-1-yl]-4-oxobutanoate
Smiles: CCSc1nc2c(n1C(=O)CCC(=O)[O-])cccc2

STL059266
Synonyms: N,N,N-triethyl-3-{[(1-phenylcyclopentyl)carbonyl]oxy}propan-1-aminium
Smiles: CC[N+](CCCOC(=O)C1(CCCC1)c1ccccc1)(CC)CC

STL059267
Synonyms: 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylpentanoicacid(non-preferredname)
Smiles: CC(CC(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)O)C

STL059269
Synonyms: 4,4'-[ethane-1,2-diylbis(oxy)]bis[3-(diphenylphosphoryl)benzenesulfonate]
Smiles: [O-]S(=O)(=O)c1ccc(c(c1)P(=O)(c1ccccc1)c1ccccc1)OCCOc1ccc(cc1P(=O)(c1ccccc1)c1ccccc1)S(=O)(=O)[O-]

STL059271
Synonyms: 1,4-bis(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)-1,4-diazoniabicyclo[2.2.2]octane
Smiles: O=C(C[N+]12CC[N+](CC1)(CC2)CC(=O)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F

STL059275
Synonyms: 4-carbamoyl-1-{2-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino]-2-oxoethyl}pyridinium
Smiles: O=C(Nc1c[nH]c(=O)[nH]c1=O)C[n+]1ccc(cc1)C(=O)N

STL059276
Synonyms: 4-carbamoyl-1-{2-oxo-2-[(phenylcarbamoyl)amino]ethyl}pyridinium
Smiles: O=C(C[n+]1ccc(cc1)C(=O)N)NC(=O)Nc1ccccc1

STL059278
Synonyms: 2,3a,4,5,7,8a,9,10-octahydro-5,10-methanocycloocta[1,2-c:5,6-c']dipyrazole-3,8-dione
Smiles: O=C1NN=C2C1CC1CC2CC2C1=NNC2=O

STL059285
Synonyms: [hydroxy(phenyl)methyl](5-oxotetrahydrofuran-3-yl)phosphinate
Smiles: O=C1OCC(C1)P(=O)(C(c1ccccc1)O)[O-]

STL059288
Synonyms: {[4-oxo-3-(1,3-thiazol-4-yl)-4H-chromen-7-yl]oxy}acetate
Smiles: [O-]C(=O)COc1ccc2c(c1)occ(c2=O)c1cscn1

STL059292
Synonyms: N-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)-L-tryptophan
Smiles: OC(=O)[C@@H](Nc1ncnc2c1c1CCCc1s2)Cc1c[nH]c2c1cccc2

STL059296
Synonyms: 1-(2-amino-2-oxoethyl)-4-carbamoylpyridinium
Smiles: NC(=O)C[n+]1ccc(cc1)C(=O)N

STL059299
Synonyms: 4-butoxy-N-[4-oxo-4-(piperidin-1-yl)butyl]benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)NCCCC(=O)N1CCCCC1

STL059300
Synonyms: 5-hydroxy-2-[(E)-pyridin-2-yldiazenyl]phenolate
Smiles: Oc1ccc(c(c1)[O-])/N=N/c1ccccn1

STL059309
Synonyms: 2-(4-nitrophenyl)-4-(pyridin-3-yl)-6H-1,3-oxazin-6-one
Smiles: O=c1oc(nc(c1)c1cccnc1)c1ccc(cc1)[N+](=O)[O-]

STL059314
Synonyms: 6-(3,4-dihydroxyphenyl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium
Smiles: CCOc1cc(cc(c2c1c(C)[o+]c2C)OCC)c1ccc(c(c1)O)O

STL059324
Synonyms: 9-(3,5-di-tert-butyl-4-hydroxybenzyl)-1,6,12-trioxa-9-aza-5-germaspiro[4.7]dodecan-2-one
Smiles: CC(c1cc(CN2CCO[Ge]3(OCC2)CCC(=O)O3)cc(c1O)C(C)(C)C)(C)C

STL059325
Synonyms: (2E,4E)-5-(4-fluorophenyl)-3-methylpenta-2,4-dienoate
Smiles: C/C(=C\C(=O)[O-])/C=C/c1ccc(cc1)F

STL059328
Synonyms: 3,12-bis[(3-phenylpyrrolidin-1-yl)acetyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane
Smiles: O=C(N1CC[N+]2(CC1)CC[N+]1(CC2)CCN(CC1)C(=O)CN1CCC(C1)c1ccccc1)CN1CCC(C1)c1ccccc1

STL059332
Synonyms: 3,6-dinitro-9-oxo-9H-fluorene-2,7-diylbistricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: O=C1c2cc(OC(=O)C34CC5CC(C4)CC(C3)C5)c(cc2c2c1cc(OC(=O)C13CC4CC(C3)CC(C1)C4)c(c2)[N+](=O)[O-])[N+](=O)[O-]

STL059336
Synonyms: N,N-dimethyl-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanamine
Smiles: CN(CCOC1CC2C(C1(C)CC2)(C)C)C

STL059340
Synonyms: 3-hydroxy-N,N,3-trimethyl-4-phenylbutan-1-aminium
Smiles: CC(Cc1ccccc1)(CC[NH+](C)C)O

STL059345
Synonyms: O-hexylcarbonodithioate
Smiles: CCCCCCOC(=S)[S-]

STL059347
Synonyms: N,N'-(benzene-1,4-diyldiprop-1-yne-1,3-diyl)bis(N-butyl-N-methylbutan-1-aminium)
Smiles: CCCC[N+](CC#Cc1ccc(cc1)C#CC[N+](CCCC)(CCCC)C)(CCCC)C

STL059354
Synonyms: 5-hydroxy-2-[(naphthalen-1-ylcarbonyl)amino]benzoicacid
Smiles: Oc1ccc(c(c1)C(=O)O)NC(=O)c1cccc2c1cccc2

STL059355
Synonyms: 2,2'-[(9-oxo-9H-fluorene-2,7-diyl)bis(sulfonylimino)]bis[4-(methylsulfanyl)butanoate]
Smiles: CSCCC(C(=O)[O-])NS(=O)(=O)c1ccc2c(c1)C(=O)c1c2ccc(c1)S(=O)(=O)NC(C(=O)[O-])CCSC

STL059366
Synonyms: 3a-(pentylsulfonyl)-2,3,3a,4,7,7a-hexahydro-4,7-methano-1-benzothiophene-3-ol1,1-dioxide
Smiles: CCCCCS(=O)(=O)C12C3C=CC(C2S(=O)(=O)CC1O)C3