Input: C1=CC=C(N2C3=CC=CC=C3C3=CC=C(C4=CC=C5C=CC6=C(C7=CC=CN=C7)C=CC7=CC=C4C5=C76)C=C32)C=C1

Output: 9-phenyl-2-(6-pyridin-3-ylpyren-1-yl)carbazole


Input: CC1=C(C2=NC3=CC(CN4CCC(C(=O)O)C4)=CC(C#N)=C3O2)C=CC=C1C1=CC=CC(C2=NC3=C(CN(C(=O)C=O)C3)S2)=C1C

Output: (3R)-1-[[7-cyano-2-[2-methyl-3-[2-methyl-3-(5-oxaldehydoyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)phenyl]phenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid


Output: 6-chloro-5-methyl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide


Input: CC(=O)NC1C(OCCOCCN2C=C(CN(CCCCC(N(CC3=CN(CCOCCOC4CC(O)C(O)C(CO)O4)N=N3)CC3=CN(CCOCCOC4CC(O)C(O)C(CO)O4)N=N3)C(C)(C)C)CC3=CN(CCOCCOC4OC(CO)C(O)C(O)C4NC(C)=O)N=N3)N=N2)OC(CO)C(O)C1O


Input: CC=NC=C(C)C1=CC=CC(F)=C1C(C)CC(=O)C(C=C(C)C)=C(C)C

Output: 2-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-6-fluorophenyl]-7-methyl-5-propan-2-ylideneoct-6-en-4-one


Output: 4-(6-chloro-5-methylpyridin-3-yl)-1,4-thiazinane 1,1-dioxide


Input: CCCCC1=NC2(CCCC2)C(O)N1CC1=CC=C(C2=CC=CC=C2C2=NNN=N2)C=C1

Output: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-ol


Input: CNC(=O)CC1=C(F)C=C(OC2=NC3=CC=C(F)C=C3S2)C=C1F

Output: 2-[2,6-difluoro-4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-methylacetamide


Input: FC1=CC=CC(OC(F)F)=C1C1(NC2=NC=C(C3=NN=C(C(F)F)O3)C=N2)CC1

Output: N-[1-[2-(difluoromethoxy)-6-fluorophenyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine


Input: CC1=CC(C2=NN=C3C4=CC=CC=C4C(OCC4=CC=C(C(=O)NN5CCOCC5)C=N4)=NN23)=NO1

Output: 6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-morpholin-4-ylpyridine-3-carboxamide


Input: CC1=NN(CC2(COS(C)(=O)=O)CC2)C=C1[N+](=O)[O-]

Output: [1-[(3-methyl-4-nitropyrazol-1-yl)methyl]cyclopropyl]methyl methanesulfonate


Input: CC1=NN(C2=CC=C(C)C=C2)C(=O)C1=CC1=C(O)N(C2=CC=C(Br)C(C)=C2)C(=O)NC1=O

Output: 1-(4-bromo-3-methylphenyl)-6-hydroxy-5-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]pyrimidine-2,4-dione


Output: 4-[[di(propan-2-yl)amino]methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol


Input: NC1=CC=C2C=C(S(=O)(=O)O)C(N=NC3=CC=C(C=CC4=CC=C(N=NC5=C(S(=O)(=O)O)C=C6C=C(S(=O)(=O)O)C=C(N)C6=C5O)C=C4S(=O)(=O)O)C(S(=O)(=O)O)=C3)=C(O)C2=C1

Output: 5-amino-3-[[4-[(E)-2-[4-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid


Input: CCOC(=O)C1=C(C)N=C(NN=CC2=CC(Br)=CC(Br)=C2O)S1

Output: ethyl 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate


Input: CC1=C(C=NNC(=O)C2=CN=CC(Br)=C2)C2=CC=CC=C2N1

Output: 5-bromo-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide


Input: CCOC(=O)C=CC(CCC(N)=O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=CC(C)=NO2)N1

Output: ethyl (E)-7-amino-4-[[2-[[5-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carbonyl]amino]-3-phenylpropanoyl]amino]-7-oxohept-2-enoate


Input: CC1=CC=C(NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3C(=O)N2)C=C1

Output: methyl-[2-(4-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium


Input: C=CCOC(=O)C1=C(C)NC2=NN=NN2C1C1=CC=C(OCC2=C(Cl)C=CC=C2Cl)C(OC)=C1

Output: prop-2-enyl 7-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate


Input: O=C1NC(Cl)=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(O)C1O

Output: [5-(2-chloro-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate


Input: CC1=NC2=C(CN(CC3=CC=C(C4=CC=C(Cl)C=C4)O3)CC2)C(=O)N1

Output: 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one


Input: COC1=COC(CN=CC2=C(O)NC(=O)C3=CC=C(N4C=CC=C4)C=C23)=CC1=O

Output: 3-hydroxy-4-[(5-methoxy-4-oxopyran-2-yl)methyliminomethyl]-6-pyrrol-1-yl-2H-isoquinolin-1-one


Input: CC=C1C(C)=C(C)C(O)=C2C1=NC(=CCCC)N2CC1=CC=CC=C1C1=CC=CC=C1C1=NNN=N1

Output: 2-butylidene-7-ethylidene-5,6-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-ol


Output: 2-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol


Input: CCN(CC)C(CNC1=NC2=C(C=NN2C)C(=O)N1)C1=CC=CC=C1

Output: 6-[[(2R)-2-(diethylamino)-2-phenylethyl]amino]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one


Input: CCCOC1=CC=C(C(=O)OC(C)C2=NC3=CC=CC=C3C(=O)N2)C=C1OCC

Output: 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-ethoxy-4-propoxybenzoate


Input: CC1=CC=C(N2N=C3NC(=O)C(=CC=CC4=C(O)NC5=NN(C6=CC=C(S(=O)(=O)O)C=C6)C(=O)C5=C4C)C(C)=C3C2=O)C=C1

Output: 4-[6-hydroxy-4-methyl-5-[(E,3Z)-3-[4-methyl-2-(4-methylphenyl)-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzenesulfonic acid


Input: OC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1C=NC1=CC=CC=C1C1=CC=CC=C1N=CC1=CC(N(C2=CC=CC=C2)C2=CC=CC=C2)=CC=C1O

Output: 2-[[2-[2-[[2-hydroxy-5-(N-phenylanilino)phenyl]methylideneamino]phenyl]phenyl]iminomethyl]-4-(N-phenylanilino)phenol


Input: CC(=NO)C1=NC2=CC=NN2C(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)=C1

Output: N-[1-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]ethylidene]hydroxylamine


Input: CC1C(NC(=O)C(=NOC(C)(C)C(=O)NN=CC2=CC=C(O)C(O)=C2)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O

Output: (2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[1-[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid


Input: NC(C(=O)COC1=CC=C2C=CC=CC2=C1N1C=CN=C1)[C+](C=O)C(=O)[O-]

Output: 3-amino-2-formyl-5-(1-imidazol-1-ylnaphthalen-2-yl)oxy-4-oxopentanoate


Output: 2-(2-methylbutan-2-yl)-4H-1,2,4-triazol-3-one


Output: 6-phenyl-3-(propylamino)-4H-1,2,4-triazin-5-one


Input: O=C(C1=CC=CC=C1)C1=CC([NH+]=C(O)C=CC2=[O+]C(=C3C=CC(=[N+]([O-])[O-])C=C3)C=C2)=CC=C1N=C(O)C1=CC=CC2=CC=CC=C12

Output: [4-[5-[(E)-3-[3-benzoyl-4-[[hydroxy(naphthalen-1-yl)methylidene]amino]phenyl]azaniumylidene-3-hydroxyprop-1-enyl]furan-1-ium-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dioxidoazanium


Output: 4-ethyl-4-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-thiazolidin-2-imine


Output: 3-bromo-7-cyclopropyl-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine


Input: CCOC1=CC=CC(C=NC2=CC=C(C(=O)O)C=C2N=CC2=CC=CC(OCC)=C2O)=C1O

Output: 3,4-bis[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzoic acid


Input: O=C(O)C1=CC=C(N=NC2=CC=C(O)C(C=NC3=CC=CC(N=CC4=CC(N=NC5=CC=C(C(=O)O)C=C5)=CC=C4O)=N3)=C2)C=C1

Output: 4-[[3-[[6-[[5-[(4-carboxyphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridin-2-yl]iminomethyl]-4-hydroxyphenyl]diazenyl]benzoic acid


Input: CCCC1=C2N=C(CC3=CC(S(=O)(=O)N4CCC(=O)C(=CC5=CC=CC=C5)C4)=CC=C3OCC)NC(=O)C2=NN1

Output: 5-[[5-[(3E)-3-benzylidene-4-oxopiperidin-1-yl]sulfonyl-2-ethoxyphenyl]methyl]-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one


Output: 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide


Input: CC(C)(C)CC(=O)NC1=CN=CC(C2=CC=C3NN=C(C4=NC5=CC=NC=C5N4)C3=N2)=C1

Output: N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-3,3-dimethylbutanamide


Input: COC1=CC=CC(C=NNC(=O)CC2=CC=CC=C2[N+](=O)[O-])=C1O

Output: N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide


Input: COC1=CC(OC)=CC(C(=O)NN=CC2=CC(Br)=CC(OC)=C2O)=C1

Output: N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide


Input: CCC1=CC(C2=NNC(=S)N2C2=CC=C(OCN3NC(C4=CC(CC)=C(O)C=C4O)=[N+](C4=CC=CC5=C4N=CN5CCN4NC(C5=CC(CC)=C(O)C=C5C)=[N+](C5=CC=C6NC(C)=C(C)C6=C5)C4=S)C3=S)C3=C2C=CN3C(C)C)=C(C)C=C1O


Output: (2S)-2-ethoxy-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]propanamide


Output: 2-[(2R)-butan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one


Input: CC(=O)C1=CC=C(N2C(=O)C3C4CC(C5C(C)=NOC45)C3C2=O)C=C1

Output: (1S,2S,6S,7S,8R,12S)-10-(4-acetylphenyl)-5-methyl-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione


Input: COCC(C)NC1=NC=C2C(OC3CCOCC3)=NC=C(C3=CC=C(N4CCN(C)CC4)C=C3)C2=N1

Output: N-[(2S)-1-methoxypropan-2-yl]-8-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine


Output: 5-methyl-4-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-2-propan-2-yl-1,3-thiazole


Input: COC1=CC=C(N2CCC(OC3=CC=C(NC(=O)C4CCCCN4C(C)=O)C=C3Cl)CC2)C=C1

Output: 1-acetyl-N-[3-chloro-4-[1-(4-methoxyphenyl)piperidin-4-yl]oxyphenyl]piperidine-2-carboxamide


Input: CCCCCCCC(=O)OC1=CC=C(OP(=O)(CC2=CC=CC=C2)OCC)C=C1

Output: [4-[benzyl(ethoxy)phosphoryl]oxyphenyl] octanoate


Input: CC1=CC(C)=C2C(N)=C(C(=O)NC3COC4=CC(N5CC6CNCC5CO6)=CC=C4C3)SC2=N1

Output: 3-amino-4,6-dimethyl-N-[(3R)-7-(6-oxa-3,8-diazabicyclo[3.2.2]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide


Output: N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2,6-dimethylaniline


Input: COC(=O)NC1=CC(C2=CC(OC(C)(C)C)=NC(N3CCCCC3C(F)(F)F)=C2)=CC=N1

Output: methyl N-[4-[2-[(2-methylpropan-2-yl)oxy]-6-[2-(trifluoromethyl)piperidin-1-yl]pyridin-4-yl]pyridin-2-yl]carbamate


Input: O=C1C2=CC=CC=C2C(=O)C2=C(N=CC3=C(O)N(C4=CC=C([N+](=O)[O-])C=C4)C(=O)NC3=O)C=CC=C12

Output: 5-[(9,10-dioxoanthracen-1-yl)iminomethyl]-6-hydroxy-1-(4-nitrophenyl)pyrimidine-2,4-dione


Output: N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide


Output: 1-(oxane-4-carbonyl)piperidine-3-sulfonyl fluoride


Input: CC1(C)C=C(C(=O)NC2=CC=C(CN3C=NC=N3)C=C2)C1

Output: 3,3-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclobutene-1-carboxamide


Input: CCC=CC=CC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CC=CC=CCC)OC(=O)CCCCCCCCCC=CCC=CCC

Output: [2-[(11Z,14Z)-heptadeca-11,14-dienoyl]oxy-3-[(9Z,11Z,13Z)-hexadeca-9,11,13-trienoyl]oxypropyl] (11Z,13Z,15Z)-octadeca-11,13,15-trienoate


Input: CCCCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(O)COCCC(C(=O)[O-])[N+](C)(C)C

Output: 4-[2-hydroxy-3-[(Z)-tetracos-13-enoyl]oxypropoxy]-2-(trimethylazaniumyl)butanoate


Input: CCC=CCC=CCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCCC=CCC=CCC=CCC)OC(=O)CCCCCCCC=CCCCC)OC(=O)CCCCCCCC=CCC=CCC=CCC


Input: CCCCCCCCCCCCCCCCCC=CCCC=CCCC=CC(O)C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC

Output: [(4E,8E,12E)-3-hydroxy-2-(pentacosanoylamino)triaconta-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate


Input: CCCCCC=CCC=CCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCCCCCCCCCCC

Output: [(4E,8E)-3-hydroxy-2-[[(11Z,14Z)-icosa-11,14-dienoyl]amino]henicosa-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate


Input: C=C1OCC(OC2COC(=O)C2(O)C=CC(C)C)=C1C=CC(C)C

Output: 3-hydroxy-3-[(E)-3-methylbut-1-enyl]-4-[[4-[(E)-3-methylbut-1-enyl]-5-methylidene-2H-furan-3-yl]oxy]oxolan-2-one


Output: (6Z)-1-methylidene-2,3,4,5,8,9-hexahydro-2-benzazonine


Input: CN(C1=NC2=NNC(C3=CC=NC(Cl)=C3F)=C2N=C1)C1CCCCC1N

Output: (1S,2R)-2-N-[3-(2-chloro-3-fluoropyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-2-N-methylcyclohexane-1,2-diamine


Input: CN1C=CC2=C(C3=C4C(=CC2CS(C)(=O)=O)CN(C2=CC=C(F)C=C2F)C4C(CCC(=O)N2CCNCC2)CN3)C1=O

Output: 12-(2,4-difluorophenyl)-4-methyl-8-(methylsulfonylmethyl)-14-(3-oxo-3-piperazin-1-ylpropyl)-4,12,16-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),5,9-tetraen-3-one


Input: C=NC(C)=CN(C)C1=CC=NC2=C1NC(C1=NNC3=CC=C(C4=CN=CC(CN5CCCC5)=C4)C(F)=C13)=N2

Output: 2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-b]pyridin-7-amine


Input: COC1=CC(C2=NC3=CC=C(OCCCN(C)CCN(C)CCNC(=O)C4=CC=C(N)C(N)=C4)C=C3N2)=C(OC)C=C1C=O

Output: 3,4-diamino-N-[2-[2-[3-[[2-(4-formyl-2,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]oxy]propyl-methylamino]ethyl-methylamino]ethyl]benzamide


Input: CC(O)(C(F)F)C(NC(=O)C1=CC=C(C#CC#CC(F)F)C=C1)C(=O)NO

Output: N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(5,5-difluoropenta-1,3-diynyl)benzamide


Input: ClC(Cl)(Cl)C1=NC(C2=CC=C3C=CC4=CC=CC5=CC=C2C3=C45)=NC(C(Cl)(Cl)Cl)=N1

Output: 2-pyren-1-yl-4,6-bis(trichloromethyl)-1,3,5-triazine


Output: (1S,3S)-1-methoxy-3-phenyl-1,3-dihydro-2-benzofuran


Input: CNC(=O)C1=CC=CC(CCNC(=O)CN2C=C(C3=CC=CC=C3)C(C)=N2)=C1

Output: N-methyl-3-[2-[[2-(3-methyl-4-phenylpyrazol-1-yl)acetyl]amino]ethyl]benzamide


Input: CCC(C)N(CC(=O)O)C(=O)CNC(=O)C1=CC2=C(CCCC2)S1

Output: 2-[butan-2-yl-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)acetyl]amino]acetic acid


Input: O;O=C1CC2OCC=C3C[NH+]4CCC56C7=CC=CC=C7N1C5C2C3CC46;[O-][Cl+3]([O-])([O-])[O-]

Output: (4aR,5aS,8aS,13aS,15aS,15bR)-2,4a,5,5a,6,7,8,13a,15,15a,15b,16-dodecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one;perchlorate;hydrate


Output: (1aS,6aR)-1-ethoxycarbonyl-1,1a,2,3,4,5,6,6a-octahydrocyclopropa[f]indene-4-carboxylic acid


Input: CCOC(=O)C=C(C)NC1CCCCC1NC(C)=CC(=O)OCC;CCOC(=O)C=C(C)NC1CCCCC1NC(C)=CC(=O)OCC

Output: ethyl (Z)-3-[[(1S,2S)-2-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]cyclohexyl]amino]but-2-enoate


Input: C=NC(=NC=C(C)OCC1=CC(OC)=CC=C1F)NC1=CC=C(N2CCNCC2)C(OC)=C1

Output: 2-[(E)-2-[(2-fluoro-5-methoxyphenyl)methoxy]prop-1-enyl]-1-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylideneguanidine


Input: C1=CC=C(C2=CC=CC(N(C3=CC=C4C(=C3)SC3=CC=C(N(C5=CC=CC=C5)C5=CC=CC=C5)C=C34)C3=CC=C4OC5=CC=CC=C5C4=C3)=C2)C=C1

Output: 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine


Input: COC(=O)CC1=CC=C(OCC2(CNC(=O)OC(C)(C)C)CCCC3=CC=C(Cl)C=C32)C(Br)=C1

Output: methyl 2-[3-bromo-4-[[(1S)-7-chloro-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-dihydro-2H-naphthalen-1-yl]methoxy]phenyl]acetate


Input: CC(C)(C)CC(C)(C)NC(=O)OCN1C(=O)OC2=C(N3CCN(CC4=CC=CC(C5=CC=CC=C5)=C4)CC3)C=CC=C21

Output: [2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]methyl N-(2,4,4-trimethylpentan-2-yl)carbamate


Input: CC1(C)C2=CC=CC=C2C2=C(N(C3=CC=C(C4=CC=CC=C4)C=C3)C3=CC=C(C4=CC=C5C6=CC=CC=C6C6=C5C4=CC=C6)C4=C3OC3=CC=CC=C34)C=CC=C21

Output: N-(9,9-dimethylfluoren-4-yl)-1-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine


Input: CC1=CC(C(N)=O)=CC(C)=C1CC(CN1C(=O)C2=CC=CC=C2C1=O)NC(=O)OC(C)(C)C

Output: tert-butyl N-[(2S)-1-(4-carbamoyl-2,6-dimethylphenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate


Input: CC1=CC=CC(C)=[N+]1C;CC1=CC=CC(C)=[N+]1C;O=S(=O)([O-])[O-]


Input: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Output: methyl heptatetracontanoate


Input: CCCOC(=O)C(SC1=CC(C(=O)Cl)=C(F)C=C1Br)C(C)C

Output: propyl 2-(2-bromo-5-carbonochloridoyl-4-fluorophenyl)sulfanyl-3-methylbutanoate


Output: N-(3,4-dichlorophenyl)-N-propylpropanamide


Input: CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)C(C)(C)CCCCCCCCCCC

Output: N-(2-methyltridecan-2-yl)-N-pentadecylpentadecan-1-amine


Input: CC(=O)C1=[N+](CC2=CC=CC=C2)C2=CC=CC=C2S1;FC(F)(F)C1=CC(C(F)(F)F)=CC([B-](C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=C1

Output: 1-(3-benzyl-1,3-benzothiazol-3-ium-2-yl)ethanone;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide


Input: CCCC1C2=CC(C)=CC(C(C)(C)C)=C2OP(OC2=C(C(C)(C)C)C=C(C)C=C2CC2=CC(C)=CC(C(C)(C)C)=C2O)OC2=C1C=C(C)C=C2C(C)(C)C

Output: 2-tert-butyl-6-[[3-tert-butyl-2-[(1,9-ditert-butyl-3,7-dimethyl-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-5-methylphenyl]methyl]-4-methylphenol


Input: O=C1CN(CCSC2=CC=CC=N2)C2=CC=CC=C2C(=O)C1=C1SC=CS1

Output: 4-(1,3-dithiol-2-ylidene)-1-(2-pyridin-2-ylsulfanylethyl)-2H-1-benzazepine-3,5-dione


Output: 2-methyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole


Input: CCCCCC(C)(C)C1=CC(CN2C(=O)N(CC3=CC(C(C)(C)C)=C(O)C(C(C)(C)CCCCC)=C3)C(=O)N(CC3=CC(C(C)(C)C)=C(O)C(C(C)(C)CCCCC)=C3)C2=O)=CC(C(C)(C)C)=C1O

Output: 1,3,5-tris[[3-tert-butyl-4-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]-1,3,5-triazinane-2,4,6-trione


Input: C1=CC=C(C(C2=CC=CC=C2)N2CCN(CCOCCC3=CC=CC4=CC=CC=C34)CC2)C=C1

Output: 1-benzhydryl-4-[2-(2-naphthalen-1-ylethoxy)ethyl]piperazine


Output: 2-(4,4-dimethylcyclohexyl)oxycarbonyl-6-methylcyclohexane-1-carboxylic acid


Output: (2S)-5-hydroxy-4-oxopiperidine-2-carboxylic acid


Input: CC(C)(C)OC(=O)NCCCCNC(=O)C1=CC([N+](=O)[O-])=CC=C1Cl

Output: tert-butyl N-[4-[(2-chloro-5-nitrobenzoyl)amino]butyl]carbamate


Output: [3-acetyloxyimino-3-(4-methoxyphenyl)propyl]-dimethylsulfanium


Input: CC1=CC=C(SOC2=CC=C(C)C=C2[N+](=O)[O-])C=C1

Output: 4-methyl-1-(4-methylphenyl)sulfanyloxy-2-nitrobenzene


Input: C=CC(=O)OCCCCCCCCOP(=O)(OCCCCCCCCOC(=O)C=C)OCC1=CC=CC=C1C

Output: 8-[(2-methylphenyl)methoxy-(8-prop-2-enoyloxyoctoxy)phosphoryl]oxyoctyl prop-2-enoate


Input: CCCC(=O)N(CCNC(=O)C(CS)CC1=CC=CC(F)=C1)CC1=CC=C(C2=CC=CC=C2S(=O)(=O)NC(C)=O)C(Cl)=C1

Output: (2S)-N-[2-[[4-[2-(acetylsulfamoyl)phenyl]-3-chlorophenyl]methyl-butanoylamino]ethyl]-2-[(3-fluorophenyl)methyl]-3-sulfanylpropanamide


Input: C=C(C)C(=O)OCC(CCCCCCCCC(C)CCCCCCC)CCCCCCC(C)CCCCCCC

Output: [11-methyl-2-(7-methyltetradecyl)octadecyl] 2-methylprop-2-enoate


Input: CN=C(NCCN(C)C)N(C)C;Cl

Output: 3-[2-(dimethylamino)ethyl]-1,1,2-trimethylguanidine;hydrochloride


Input: CCCCC(CC)COC(=O)CCN1C(=O)NC(=CC2=CC=C(CC(=O)N(CCO)CCO)C=C2)C1=O

Output: 2-ethylhexyl 3-[4-[[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]propanoate


Output: 1-[4-(1-chloro-2-piperidin-1-ylethoxy)phenyl]propan-1-one


Input: CC(=O)OC12CCC(N(CC(C)C)C(=O)C#CC3=CC=C(C(F)(F)F)C=C3)C3OC4=C(O)C=CC5=C4C31CCN(CC1CC1)C2C5


Input: O=C1OP(C2=CC=CC=C2)(C2=CC=CC=C2)(C2=CC=CC=C2)CCCCCCCP(C2=CC=CC=C2)(C2=CC=CC=C2)(C2=CC=CC=C2)OC1=O

Output: 2,2,2,10,10,10-hexakis-phenyl-1,11-dioxa-2lambda5,10lambda5-diphosphacyclotridecane-12,13-dione


Input: CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C([O-])CSC1=CC=CC=C1

Output: 4-[(3S)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylsulfanylbutan-2-olate


Input: CC(C)(C)NC1CCC(N2CCC(C3=NC=CC(C(N)=O)=N3)C2=O)C(NS(C)(=O)=O)C1

Output: 2-[(3S)-1-[(1S,2R,4R)-4-(tert-butylamino)-2-(methanesulfonamido)cyclohexyl]-2-oxopyrrolidin-3-yl]pyrimidine-4-carboxamide


Input: CC1CN(CC2=CC=CC(C3=CC(CNC(=O)C4=CC=CC(C[N+]5(C)CCOCC5)=C4)=CC=C3F)=C2)CCN1;O=C([O-])C(F)(F)F

Output: N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-3-[(4-methylmorpholin-4-ium-4-yl)methyl]benzamide;2,2,2-trifluoroacetate


Input: CS(=O)(=O)N1C(=O)C(C(F)(F)F)C1C1=NN(C(=O)C2=CC=CO2)C(SCC2=CC=C(Cl)S2)=N1

Output: 4-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-carbonyl)-1,2,4-triazol-3-yl]-1-methylsulfonyl-3-(trifluoromethyl)azetidin-2-one


Input: CC(C)(C)C1=CC=C(C2=NC(C3=CC=C(C4=CN=C(C5=[C-]C=C6C(=C5)C(C)(C)C(F)(F)C6(C)C)C5=CC=CC=C45)C=C3)=NC(C3=CC=C(C(C)(C)C)C=C3)=N2)C=C1;[Ir]

Output: 4-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-(2,2-difluoro-1,1,3,3-tetramethyl-6H-inden-6-id-5-yl)isoquinoline;iridium


Input: C#CCC(NC(=O)OC(C)(C)C)C(=O)O

Output: 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid


Input: NC(CCC1=CC=CC=C1)ON1C(=O)C(CS)C2=CC=CC(F)=C21

Output: 1-(1-amino-3-phenylpropoxy)-7-fluoro-3-(sulfanylmethyl)-3H-indol-2-one


Output: 3-[4-[2-(diethylamino)ethoxy]phenyl]-2-methylpropanamide


Input: CCC1=NN(C2CCCC2)C2=CC(C3CCC(C#N)(C(=O)OC)CC3)=CC=C12

Output: methyl 1-cyano-4-(1-cyclopentyl-3-ethylindazol-6-yl)cyclohexane-1-carboxylate


Output: 2-hydroxy-3-[2-(oxo-lambda5-phosphanylidyne)ethyl]-3,4-dihydroisoquinolin-1-one


Input: C1=CC=C(C2=CC=C3N=C(C4CC5=CC=CC=C5O4)C(C4=CC5=CC=CC=C5O4)=C(C4=CC5=CC=CC=C5N4)C3=C2C2=CC=CC3=CC=CC=C23)C=C1

Output: 3-(1-benzofuran-2-yl)-2-(2,3-dihydro-1-benzofuran-2-yl)-4-(1H-indol-2-yl)-5-naphthalen-1-yl-6-phenylquinoline


Output: 1'-propylspiro[1H-indole-3,5'-piperidine]-2,2'-dione


Input: FC(F)(F)C1=CC=C(OC2=CC=C(CN(CC3CO3)CC3CO3)C=C2)C=C1

Output: 1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]methanamine


Input: C=CC(=O)OCC(CC)[Si]([Si](C)(C)OC)([Si](C)(C)OC)[Si](C)(C)OC

Output: 2-tris[methoxy(dimethyl)silyl]silylbutyl prop-2-enoate


Output: 4,6,8-trichloro-2H-thiochromene-3-carbaldehyde


Input: NC1=CC2(CN1)C1=CC=NC=C1OC1=CC=C(C3=CC=CN=C3)C=C12

Output: (3S)-7'-pyridin-3-ylspiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-c]pyridine]-5-amine


Output: [1-formamido-1-(1H-pyrazol-5-yl)ethyl] formate


Output: sodium;2-[6-[(2-aminoethylamino)methyl]pyridin-2-yl]ethanesulfonate


Input: CCCCCCCCC=CCCCCCCCCNC(C1=CC=CC=C1)C1=CC=CC=C1


Input: O=C(O)C1=CC=CC=C1C1=C(C2=CC=CC=C2C(=O)O)C(C2CCCC2)=CC=C1C1CCCCC1

Output: 2-[2-(2-carboxyphenyl)-6-cyclohexyl-3-cyclopentylphenyl]benzoic acid


Input: O=C(O)N1CCC(OC2CCC(OC3=CC=C(Br)N=C3)CC2)CC1

Output: 4-[4-(6-bromopyridin-3-yl)oxycyclohexyl]oxypiperidine-1-carboxylic acid


Input: CN(C)CCN1C=C(C2C=CC(Cl)=CC2(C)S(=O)(=O)N2C=CC3=C(C4=CN=C(C5(O)CCC5)S4)C=CN=C32)C=N1

Output: 1-[5-[1-[3-chloro-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylcyclohexa-2,4-dien-1-yl]sulfonylpyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol


Output: methyl 2-[2-(benzylperoxymethyl)phenyl]prop-2-enoate


Input: CN1N=NC(C2=CC=C(C3=CC=C(N4C=C(COC(=O)C5CCCN5)OC4)C=C3F)C=N2)=N1

Output: [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-2H-1,3-oxazol-5-yl]methyl (2R)-pyrrolidine-2-carboxylate


Input: CCC1OCC2=CC=C(OC3=CC=C(N4C(=O)NC(C)(C)C4=O)C=N3)C=C21

Output: 3-[6-[[(3R)-3-ethyl-1,3-dihydro-2-benzofuran-5-yl]oxy]pyridin-3-yl]-5,5-dimethylimidazolidine-2,4-dione


Input: CN1CCN(C2=CC=C(NC3=CC4=C(N5CCCC5)N=C(OCC5CCCCC5)N=C4C=N3)N=C2)CC1

Output: 2-(cyclohexylmethoxy)-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-6-amine


Input: CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(CC1=CC=CC=C1)C1=NC=CS1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCC1=CC=C(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)C(C)C)C=C1)C(C)C


Input: [C-]#[N+]C1=CC=C(N2C(=O)N(C3=CC=CC=C3)C3(CCC3)C2=O)C=C1

Output: 7-(4-isocyanophenyl)-5-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione


Input: O=C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1N(CCO)CCO

Output: [2-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone


Input: O=C(O)NCC1=CC=C(C2CC2)C(C(=O)C2CCC(C3=CC=C(F)C4=CC=CC=C34)CC2)=N1

Output: [5-cyclopropyl-6-[4-(4-fluoronaphthalen-1-yl)cyclohexanecarbonyl]pyridin-2-yl]methylcarbamic acid


Input: CC(OC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)OCC1=CC=CC=C1

Output: benzyl (2R)-2-(4-phenylmethoxyphenoxy)propanoate


Input: CC(C)=CCCC(C)=CCN(CCCO)CCCC(C)C

Output: 3-[[(2E)-3,7-dimethylocta-2,6-dienyl]-(4-methylpentyl)amino]propan-1-ol


Input: CC1=CC(F)=C(C2=CC=C(C3CCC(C)CC3)C=C2F)C=C1F

Output: 1,4-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-5-methylbenzene


Input: CC1(C)C2CCC1(CS(=O)(=O)N1CCC3(CCC4=CC=CC=C43)CC1)C(N)C2;CCC(C)N

Output: butan-2-amine;7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine


Input: CC;NC1=CC=CC(CC2=C(O)CC(CCC3=CC=C(F)C=C3)(CCC3=CC=C(F)C=C3)OC2=O)=C1

Output: 5-[(3-aminophenyl)methyl]-2,2-bis[2-(4-fluorophenyl)ethyl]-4-hydroxy-3H-pyran-6-one;ethane


Input: CC(C)(O)O;CC(C)NC(=O)C1CCC(NC2=CC(Cl)=NC=N2)C1

Output: 3-[(6-chloropyrimidin-4-yl)amino]-N-propan-2-ylcyclopentane-1-carboxamide;propane-2,2-diol


Output: [2-[2-[4-(cyclohex-2-en-1-ylmethyl)piperidin-1-yl]ethyl]cyclohexyl]urea


Input: C#CC;CC;CC;CCC=CC=NC

Output: ethane;(Z)-N-methylpent-2-en-1-imine;prop-1-yne


Input: CCCC(CCC)NC1=CC(C)=C(COC)C=C1[N+](=O)[O-]

Output: N-heptan-4-yl-4-(methoxymethyl)-5-methyl-2-nitroaniline


Output: 4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide;hydrochloride


Output: 3-iodo-6-propan-2-yl-1H-benzimidazol-2-one


Input: COCC(=O)N(CC1=CC=C(C2CCCCC2)C=C1)C1=CC=C(C2=CSC(N(C)CC3=CC=C(C=O)C=C3)=N2)C=C1

Output: N-[(4-cyclohexylphenyl)methyl]-N-[4-[2-[(4-formylphenyl)methyl-methylamino]-1,3-thiazol-4-yl]phenyl]-2-methoxyacetamide


Input: CC1=CC2=NC(C3=CN=CN3)=CC(C=CC3=CC=NN3C)=C2C=C1CCC#N

Output: 3-[2-(1H-imidazol-5-yl)-7-methyl-4-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]quinolin-6-yl]propanenitrile


Input: C1=CC=C(C2=CC(C3=CC=CC=C3)=NC(C3=C4SC5=CC=CC=C5C4=CC=C3C3=CC=C4C5=CC=CC=C5C5(C6=CC=CC=C6C6=CC=CC=C65)C4=C3)=N2)C=C1

Output: 4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]pyrimidine


Input: CC(=O)C(N)CCCCN;CCC;CCC

Output: 3,7-diaminoheptan-2-one;propane


Input: C1=CC=C(C2=NC(C3=CC=C4C(=C3)C3=CC=CC=C3N4C3=CC=CC=C3)=NC(C3=CC=CC4=C3C3=CC=C(C5=NC(C6=CC=CC=C6)=NC6=C5OC5=CC=CC=C56)C=C3O4)=N2)C=C1;CC=CC

Output: (Z)-but-2-ene;2-phenyl-4-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine


Input: CCCN(CCC=C(CC)C(=O)CCCO)C(=O)C1=CC=C(C2=CC=C3N=CNC3=C2)C=C1;[HH]

Output: 4-(3H-benzimidazol-5-yl)-N-[(Z)-4-ethyl-8-hydroxy-5-oxooct-3-enyl]-N-propylbenzamide;molecular hydrogen


Input: FC1=CC=C(C2CCC(C3CCCC[Si]3(C3=CC=CC=C3)C3=CC=CC=C3)CC2)C=C1F

Output: 2-[4-(3,4-difluorophenyl)cyclohexyl]-1,1-diphenylsilinane


Input: CS(=O)(=O)C1=CC=C(C2=C(C3=CC=C4OCCOC4=C3)C(=O)C3=CC=CC=C3S2)C=C1

Output: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonylphenyl)thiochromen-4-one


Input: CC(CC1=CC=CC=C1)C1=CC=CC(CP(C(C)(C)C)C(C)(C)C)=C1

Output: ditert-butyl-[[3-(1-phenylpropan-2-yl)phenyl]methyl]phosphane


Input: C=CC=C(C=C)C(CS(=O)(=O)N1CCC(OCC2=CC=CC=C2C)CC1)N(O)C=O

Output: N-[(3E)-3-ethenyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]sulfonylhexa-3,5-dien-2-yl]-N-hydroxyformamide


Input: CC;CC;CC;CC1(C)CC=CC2=C(CCC(=O)CC2)C1;CC=CC(C)=C(C)C=CC(C)=O;CCC

Output: 7,7-dimethyl-1,2,4,5,6,8-hexahydroheptalen-3-one;(3Z,5E,7Z)-5,6-dimethylnona-3,5,7-trien-2-one;ethane;propane


Input: C=CC(=C(OOSC1=CC=C(C)C=C1)C(=CC)C[N+](=O)[O-])[N+](=O)[O-]

Output: 1-methyl-4-[(3Z,5Z)-3-nitro-5-(nitromethyl)hepta-1,3,5-trien-4-yl]peroxysulfanylbenzene


Input: CCCCCC(C)CC(C(=O)NC1=CN=C(CCCO)C=N1)C1=CC=C(S(C)=O)C(Cl)=C1

Output: 2-(3-chloro-4-methylsulfinylphenyl)-N-[5-(3-hydroxypropyl)pyrazin-2-yl]-4-methylnonanamide


Input: N=C(N)C1=CC=C2C(=C1)C1=CC=CC=C1N2CC1=CC=CC(F)=C1;NN

Output: 9-[(3-fluorophenyl)methyl]carbazole-3-carboximidamide;hydrazine


Input: C=CC=C(C(=C)O)C(=O)NCCCC

Output: (2E)-N-butyl-2-(1-hydroxyethenyl)penta-2,4-dienamide


Output: (3S)-1,2-bis(ethenyl)-3-methylcyclohexene


Input: CC(=O)OC1CC2(C)C(CCC3C2CCC2CCCCC23C)C1=C(CCC=C(C)C)C(C)=O

Output: [(17Z)-10,14-dimethyl-17-(7-methyl-2-oxooct-6-en-3-ylidene)-1,2,3,4,5,6,7,8,9,11,12,13,15,16-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate


Input: CC(C)NS(O)([OH2+])C1=CC=C(C#CC2=CC=C(N)C=C2)C=C1

Output: [[4-[2-(4-aminophenyl)ethynyl]phenyl]-hydroxy-(propan-2-ylamino)-lambda4-sulfanyl]oxidanium


Output: 2,2,5,7,8-pentamethyl-6-prop-2-enoxy-3,4-dihydrochromene


Input: CSNC(=NCCCNC(=O)C1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C1=CC=CC=C1

Output: N-[3-[[(methylsulfanylamino)-phenylmethylidene]amino]propyl]-5-(3-nitrophenyl)furan-2-carboxamide


Input: C=CC=C(C=C)CC(C)C(N)=O

Output: (4E)-4-ethenyl-2-methylhepta-4,6-dienamide


Input: C#CCCC(NC(=O)C1CC(C(C)C)CN1C(=O)C(NC(=O)NC(CN1CC2=CC=CC=C2S1(=O)=O)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NCC=C


Input: C=C(C#N)C=CCCCCC1C(=C)CCC1C#CCCC1=CC=CC=C1C

Output: (E)-2-methylidene-8-[2-methylidene-5-[4-(2-methylphenyl)but-1-ynyl]cyclopentyl]oct-3-enenitrile


Input: C=CC(F)=CC=C(Cl)CN(N)C(=NN)C1=CC(C2=CC=C(NC(C)=O)C=C2)=CN=C1N

Output: N-[4-[6-amino-5-[(Z)-N-amino-N-[(2E,4E)-2-chloro-5-fluorohepta-2,4,6-trienyl]carbamohydrazonoyl]pyridin-3-yl]phenyl]acetamide


Input: CCOC(=O)CC(C)CC1CC(O)CC(CO)O1;OCC1OC(O)CC(O)C1O

Output: ethyl 4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-methylbutanoate;6-(hydroxymethyl)oxane-2,4,5-triol


Input: C=C(NC1=CC=C(C)C(NC2=CC(C(=O)NC)=NN2C2=CC(NCCN3CCOCC3)=NC=N2)=C1)C1=CC=C(N2C=CC=N2)N=C1

Output: N-methyl-5-[2-methyl-5-[1-(6-pyrazol-1-ylpyridin-3-yl)ethenylamino]anilino]-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide


Input: C=C1C=CC(C2=CNN=C2)=NN1C(=NC)SC1=CC=C2N=CC=CC2=C1N

Output: (5-aminoquinolin-6-yl) N-methyl-6-methylidene-3-(1H-pyrazol-4-yl)pyridazine-1-carboximidothioate


Output: (4S)-3,4,8-trimethylbicyclo[4.3.1]decane


Input: COC1=CC(OC(=O)C2=CC=CO2)=CC=C1C1=CC=C2NC(C)(C)C=C(C)C2=C1COC1=CC=CC=C1C

Output: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinolin-6-yl]phenyl] furan-2-carboxylate


Input: CC1=CC=C(NC(=O)OCCC2=CC=C(C(NC3=CC=C4C=CNC(=O)C4=C3)C(=O)O)C=C2)C=C1CN(C)C(=O)OC(C)(C)C;CCCO;CO

Output: methanol;2-[4-[2-[[4-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]carbamoyloxy]ethyl]phenyl]-2-[(1-oxo-2H-isoquinolin-7-yl)amino]acetic acid;propan-1-ol


Input: CONC1=C(O)C2=C(C(=O)C=CC2=O)C(O)=C1NCCC[N+](C)(C)O

Output: 3-[[1,4-dihydroxy-3-(methoxyamino)-5,8-dioxonaphthalen-2-yl]amino]propyl-hydroxy-dimethylazanium


Output: N-[3-[[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]propyl]formamide;methanol


Output: 3,4-dimethyl-1H-1,2,4-triazole-5-thione;ethane


Input: C#CO;C=O;CC1=CC=C(Cl)C=C1;CNC(CCC(F)(F)F)C(N)=O

Output: 1-chloro-4-methylbenzene;ethynol;formaldehyde;5,5,5-trifluoro-2-(methylamino)pentanamide


Input: C;CC(C=O)NC1CCC(C2=CN=C3C=NC4=C(C=CN4)N23)C1;CC1=C(C)C(C)=C2OC(C)(C)CC2=C1C;[HH];[HH]

Output: 2,2,4,5,6,7-hexamethyl-3H-1-benzofuran;methane;molecular hydrogen;2-[[(1S,3R)-3-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]amino]propanal


Input: C=C(C=CC)C(C)=CC;CC;CC1=CC=C(C2=CC=C3C=CC4=C(C5=CC=CC(C6=CC=C7CC8=CC=CC=C8C7=C6)=C5)C=CC5=CC=C2C3=C54)C=C1;CC=C(C)C

Output: ethane;1-[3-(9H-fluoren-3-yl)phenyl]-6-(4-methylphenyl)pyrene;2-methylbut-2-ene;(2E,5Z)-3-methyl-4-methylidenehepta-2,5-diene


Input: COC(=O)CC1=C(C(=O)OC)SC(N(CC(=O)O)CC(=O)O)=C1N=O

Output: 2-[carboxymethyl-[5-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-3-nitrosothiophen-2-yl]amino]acetic acid


Input: C=C1C(=CC=C2CCCC3(C)C(CCC4CCC(=O)N4CCC4=CC=C5C=CC=CC5=C4)CCC23)CCC(CCCO)C1O

Output: 5-[2-[(4E)-4-[(2Z)-2-[3-hydroxy-4-(3-hydroxypropyl)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-1-(2-naphthalen-2-ylethyl)pyrrolidin-2-one


Input: CC(C1=CC=C2C3=CC=C(C4=C=CC5=CC=CC=C5C=C4)C=C=C3C(C)(C)C2=C1)C(CC1C=C(C2=CCCCC(C3C=CC=CC3)=C2)C=CC1)CC1C=C(C2=CC=CC(C3=CC=CC=C3)=C2)C=CC1


Input: C#C;C=CC(CC=CC(CC)CNC)C1=CC=CC=C1CCNC(=O)CO;CC=CC=C(F)C=CF

Output: acetylene;(1E,3E,5Z)-1,3-difluorohepta-1,3,5-triene;2-hydroxy-N-[2-[2-[(5E,7S)-7-(methylaminomethyl)nona-1,5-dien-3-yl]phenyl]ethyl]acetamide


Input: CNCCCCCCC(C)C;O=CC1=CC=C(C2=C3C=C(F)C(=O)C=C3OC3=CC(O)=C(F)C=C23)C(C(=O)O)=C1

Output: 2-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)-5-formylbenzoic acid;N,7-dimethyloctan-1-amine


Input: CC(=O)C1CCC(NC2=CC(C3=CCC=CC(C)=N3)=C(Cl)C=N2)C1

Output: 1-[3-[[5-chloro-4-(7-methyl-4H-azepin-2-yl)pyridin-2-yl]amino]cyclopentyl]ethanone


Input: O=C1NC(=O)C(CC2=CC=C(OCC(CO)C3=CC=CC=C3F)C=C2)S1

Output: 5-[[4-[2-(2-fluorophenyl)-3-hydroxypropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione


Input: CC;CC1=CC2=C(C=C1C1=CC=C(NC(=O)C3=CC=CC=C3F)N=C1)C(=O)CCO2

Output: ethane;2-fluoro-N-[5-(7-methyl-4-oxo-2,3-dihydrochromen-6-yl)pyridin-2-yl]benzamide


Input: CCOC(=O)C1=NC2=NN(C3=CC=CC=C3)C(OS(=O)(=O)C(F)(F)F)=C2C=N1

Output: ethyl 2-phenyl-3-(trifluoromethylsulfonyloxy)pyrazolo[3,4-d]pyrimidine-6-carboxylate


Input: CC(C)OC1=CC=C(N=C2NC(=O)N(C(C)(C)C)C(=O)[NH+]2C(C)C2=CC=C(F)C=C2)C=C1

Output: 3-tert-butyl-1-[1-(4-fluorophenyl)ethyl]-6-(4-propan-2-yloxyphenyl)imino-1,3,5-triazinan-1-ium-2,4-dione


Output: ethane;2-phenoxyethyl 2-ethyl-4,4-dimethylpentanoate


Input: COCC(C)N(C)C1CCC(NC2=CC(C3=CC=CC(NCC4(C#N)CCOCC4)=N3)=C(F)C=N2)CC1

Output: 4-[[[6-[5-fluoro-2-[[4-[1-methoxypropan-2-yl(methyl)amino]cyclohexyl]amino]pyridin-4-yl]pyridin-2-yl]amino]methyl]oxane-4-carbonitrile


Input: CC1=CC=CC=C1C(CCCC(=O)C1=CC=C(OCC(O)C(C)(C)C)C(C2=CC=CC=C2)=N1)CC(=O)O

Output: 7-[5-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-6-phenylpyridin-2-yl]-3-(2-methylphenyl)-7-oxoheptanoic acid


Output: 4-methyl-2-(2-methylbutoxy)-1-[(E)-2-(4-methylphenyl)ethenyl]benzene


Input: CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=O)N1CCN(C2=CC=CC=C2)CC1

Output: tert-butyl N-[1-oxo-3-phenylmethoxy-1-(4-phenylpiperazin-1-yl)propan-2-yl]carbamate


Output: ethane;phenyl-(2-phenylcyclopentyl)methanone


Output: N-hex-1-en-2-yl-3-(trifluoromethyl)pyridin-4-amine


Input: CC;CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C4=CC=CN=C4)=CCC32)C1

Output: (10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate;ethane


Input: CCCC1=CN=C(NSC2=CC=C3CCN(C(C)C4=CC(F)=CC(F)=C4)CC3=C2)C=N1

Output: N-[[2-[1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfanyl]-5-propylpyrazin-2-amine


Output: N-[(4Z)-6-bromo-3-methylidenehepta-1,4,6-trien-2-yl]-N'-methylpiperidine-2-carboximidamide;ethane


Output: 2-(hydroxymethyl)-6-methyl-4-phenylphenol


Input: CC1=C(C2=CC=NN2C)C=C(C(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNC(=O)C2=CC(C3=CC=NN3C)=C(C)N(C3=CC=CC(C(F)(F)F)=C3)C2=O)C(=O)N1C1=CC#CC(C(F)(F)F)=C1


Input: COC1=CC(C2=CC=C(C#N)C=C2)=C(C2=CC=C(C)C=C2)N2C(=O)N(CC3CCCC3)N=C12

Output: 4-[2-(cyclopentylmethyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile


Output: N-methylidene-N'-[2-(oxolan-3-yl)ethyl]ethanimidamide


Input: C=C1C2=CC=CC=C2C=CN(C2=CC=C(C)C=C2)C2=CC=C3C=CC=CC3=C12

Output: (9Z)-2-methylidene-11-(4-methylphenyl)-11-azatetracyclo[10.8.0.03,8.015,20]icosa-1(12),3,5,7,9,13,15,17,19-nonaene


Input: C;C=C(C1CCC2C3CCC4CC(O)CCC4C3CCC12C)C(C)(C)O;N

Output: azane;17-(3-hydroxy-3-methylbut-1-en-2-yl)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol;methane


Input: C=CC(=CC)CC=CC=CN;CC

Output: ethane;(1Z,3Z,6Z)-6-ethenylocta-1,3,6-trien-1-amine


Output: 3-(1,3-benzothiazol-2-yl)-7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-amine;ethane


Input: C1=CC=C(C2=CC(C3=CC=CC=C3)=CC(N3C4=CC=C(C5=CC=C6C(=C5)C5=CC=CC=C5N6C5=CC=CC=C5)C=C4C4=CC=C(C5=CC=CC=C5)C=C43)=C2)C=C1

Output: 9-(3,5-diphenylphenyl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole


Input: CCN1CCC2=CC3=C(C=C2C2C(OC(=O)C(C)OCCC(C)(C)O)C(OC)=CC21)OCO3

Output: [(2S,3S)-7-ethyl-4-methoxy-13,15-dioxa-7-azatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),4,10,12(16)-tetraen-3-yl] 2-(3-hydroxy-3-methylbutoxy)propanoate


Output: 5-(1-hydroxy-3-methylpentan-3-yl)oxybenzene-1,3-dicarboxylic acid


Output: 1-N-[1-[butyl(methyl)amino]-3-methylheptan-3-yl]-2-N,2-N-dimethylcyclohexane-1,2-diamine


Input: CC1=CC=C(C(=O)OC(C)CC(C)(C)OC(=O)C2=CC=C(C(=O)OC(C)CC(C)(C)OC(=O)C3=CC=C(C)C=C3)C=C2)C=C1

Output: 4-O-[2-methyl-4-(4-methylbenzoyl)oxypentan-2-yl] 1-O-[4-methyl-4-(4-methylbenzoyl)oxypentan-2-yl] benzene-1,4-dicarboxylate


Input: CC(C)NC1=CC(N2CCNCC2)=C(F)C=C1C1=NN(C2=CC=CC=C2)C(=O)C1

Output: 5-[5-fluoro-4-piperazin-1-yl-2-(propan-2-ylamino)phenyl]-2-phenyl-4H-pyrazol-3-one


Input: CCCCCCCCCCCCC(CCCCCC)C(C)C

Output: 7-propan-2-ylnonadecane


Input: CC1=NC2=CC=C(C3=CC(=O)N4C=C(C5=CCNCC5)N=CC4P3)C=C2O1

Output: 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one


Input: COCCCOC1=C(OC)C(C(C)C)=CC(CCCCCCCC(N)=O)=C1C(C)C

Output: 8-[4-methoxy-3-(3-methoxypropoxy)-2,5-di(propan-2-yl)phenyl]octanamide


Output: 2-methyl-4-methylidene-6,7-dihydro-5H-furo[2,3-b]pyridine


Input: CC1(C)C2=CC(C#N)=CC=C2C2=CC=C(C3C4=CCC=CC=C4C(C4=CC=C(C5=CC=CC=C5)C=C4)=C4C=CC=CC43)C=C21

Output: 9,9-dimethyl-7-[5-(4-phenylphenyl)-11,11a-dihydro-9H-cyclohepta[b]naphthalen-11-yl]fluorene-2-carbonitrile


Input: COC1=CC=C(CCN2C=CC3=C(C(=O)OC4=CC=CC=C43)C2=N)C=C1OC

Output: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-iminochromeno[3,4-c]pyridin-5-one


Input: CC1=C(CCN2CCC(C3=NOC4=CC(F)=CC=C34)CC2)C(=O)N2CCCC(=NO)C2=N1

Output: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxyimino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one


Input: O=CC1=CC=C2C(=C1)C1=CC(Br)=CC=C1N2C1=CC=CC=C1

Output: 6-bromo-9-phenylcarbazole-3-carbaldehyde


Input: CCO[Si](OCC)(OCC)OCC1=CC=C2C(=C1)C1=CC(N(C3=CC=CC=C3)C3=CC=C(C4=CC=C(N(C5=CC=CC=C5)C5=CC=C6C(=C5)C5=CC(CO[Si](OCC)(OCC)OCC)=CC=C5N6C5=CC=CC=C5)C=C4)C=C3)=CC=C1N2C1=CC=CC=C1

Output: triethyl [9-phenyl-6-(N-[4-[4-(N-[9-phenyl-6-(triethoxysilyloxymethyl)carbazol-3-yl]anilino)phenyl]phenyl]anilino)carbazol-3-yl]methyl silicate


Input: C1=CC(C2=CC3=C4B5C6=C(C=CC=C6OC4=C2)SC2=CC=CC(=C52)O3)=CC(C2=CC3=C4B5C6=C(C=NC=C6SC4=C2)OC2=C5C(=CN=C2)S3)=C1


Input: CCOC(=O)N1C=C(C2=CC=CC=C2)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)C(=O)OC(C)C)C(=O)C1C(C)C

Output: ethyl 4-[2-[[(2S)-3,4-dioxo-1-phenyl-4-propan-2-yloxybutan-2-yl]amino]-2-oxoethyl]-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate


Output: (1Z,3Z,8Z,10Z)-cyclotetradeca-1,3,8,10-tetraene


Input: COC1=CC=CC=C1OCC1=NC2=CC=C(I)C=C2C(COC2=CC=CC=C2OC)=C1C(=O)O

Output: 6-iodo-2,4-bis[(2-methoxyphenoxy)methyl]quinoline-3-carboxylic acid


Input: CC12CCC(O)CC1CCC1C2CCC2(C)C1CCC21CN=C(NC2CCCCC2)O1

Output: (3S,5S,8R,9S,10S,13S,14S,17S)-2'-(cyclohexylamino)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-4H-1,3-oxazole]-3-ol


Input: O=C(C1=CC(CC2=NNC(=O)C3=CC=CC=C23)=CC=C1F)N1CCC2(CNC2)C1

Output: 4-[[3-(2,6-diazaspiro[3.4]octane-6-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one


Output: ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-3-sulfanylpropanoate


Input: CC1=NC=C(C2=CC=C(OCCC3=CC=CC(Cl)=C3F)C=N2)C(N2CCC(C)(C)CC2)=C1C(OC(C)(C)C)C(=O)O

Output: (2S)-2-[5-[5-[2-(3-chloro-2-fluorophenyl)ethoxy]pyridin-2-yl]-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid


Input: CC1(C)CC(=O)C(C2C=CNC3=C(C(=O)C4=CC=CC=C4)ON=C32)C(=O)C1

Output: 2-(3-benzoyl-4,7-dihydro-[1,2]oxazolo[4,3-b]pyridin-7-yl)-5,5-dimethylcyclohexane-1,3-dione


Input: CN(C)CC=CC(=O)NCC1=NN(C2=CC=CC=C2)C2=C1CCC2

Output: (E)-4-(dimethylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]but-2-enamide


Input: O=C(O)CN(CC1=CC=CC=C1Br)S(=O)(=O)N1CCOCC1

Output: 2-[(2-bromophenyl)methyl-morpholin-4-ylsulfonylamino]acetic acid


Input: O=C(O)C1=CN=C(C2CCCN2CC2=CN(C3=CC=CC=C3)N=C2)N=C1

Output: 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid


Input: CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)NC2=CC=CC(N3CCCCCC3)=C2)=C1

Output: N-[2-[3-(azepan-1-yl)anilino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide


Input: COC1=CC=C(C2=CC=CC2=C([O-])N(C(C)C)C(C)C)C=C1

Output: (Z)-[di(propan-2-yl)amino]-[2-(4-methoxyphenyl)cyclopenta-2,4-dien-1-ylidene]methanolate


Input: C=CC(=O)OC(C)CCCOP(=O)(O)OP(=O)(O)O

Output: 5-[hydroxy(phosphonooxy)phosphoryl]oxypentan-2-yl prop-2-enoate


Input: CCN1CCC2C(C)C(=O)C(I)=CC2(C2=CC=CC=C2)C1=O

Output: (4aS,5S)-2-ethyl-7-iodo-5-methyl-8a-phenyl-3,4,4a,5-tetrahydroisoquinoline-1,6-dione


Input: CCCCCCCCCCCC(=O)NC(C)C(=O)CC(C)C(O)OC

Output: N-(6-hydroxy-6-methoxy-5-methyl-3-oxohexan-2-yl)dodecanamide


Input: CCOCC1=C2N=C(N3CCCC3C3=CC(F)=CN=C3CCN(CC)NC(=O)OC(C)(C)C)C=CN2N=C1

Output: tert-butyl N-[2-[3-[1-[3-(ethoxymethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoropyridin-2-yl]ethyl-ethylamino]carbamate


Output: ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate


Input: CC1=CC(C#N)=CC(C)=C1OC1=NC(NC2CCN(CC3=CC=CC(S(N)(=O)=O)=C3)CC2)=NC2=C1SCCC2

Output: 3-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzenesulfonamide


Input: C=C(C=C(OC)C(=CC)NC(=C)OC1=C(C)CC#CCC(C)C1C)NC

Output: (3E,5E)-4-methoxy-2-N-methyl-5-N-[1-[(1E)-2,7,8-trimethylcyclooct-1-en-4-yn-1-yl]oxyethenyl]hepta-1,3,5-triene-2,5-diamine


Input: CC(C)(C)NC(=O)N1OC1C1=CC=C(OC2=CC=CC=C2)C=C1

Output: N-tert-butyl-3-(4-phenoxyphenyl)oxaziridine-2-carboxamide


Input: COC1=CN=CC(C2=CC=C3C(=C2)C=C(C2=CC=NC(C)=C2)N3CC2=CC=CC=C2)=C1

Output: 1-benzyl-5-(5-methoxypyridin-3-yl)-2-(2-methylpyridin-4-yl)indole


Output: 1-methyl-3-(5-methylundecan-5-yl)pyrrolidine


Input: CC(C)OC(=O)C(C)CCOP1(=O)OCC2OC(N3C=C(F)C4=C(N)N=CN=C43)C(C)(Cl)C2O1

Output: propan-2-yl (2S)-4-[[(2S,4aR,6R,7R,7aR)-6-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-7-chloro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate


Input: N#CC1=CC=C2C3=CC=CC=C3N(C3=CC=CC4=C3SC3=C(C5=CC=CC=C5)C=C(C5=CC=C6C(=C5)OC5=CC=CC=C56)C=C34)C2=C1

Output: 9-(8-dibenzofuran-3-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile


Output: 2-piperazin-1-yl-5-piperidin-1-ylpyrimidine


Output: (5S)-5-(methoxymethyl)-4-oxaspiro[2.4]heptane


Input: COC1=CC=CC=C1C(=O)NCC1=CC=C(C2=NN(C3CCC(C)C3)C(N)=C2C=O)C=C1

Output: N-[[4-[5-amino-4-formyl-1-(3-methylcyclopentyl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide


Input: C1=CC=C(C2=NC3=CC=CC=C3N=C2C2=CC=C(C3=CC=C4C(=C3)C3=C5C6=C4C4=CC=CC=C4N6C4=CC=CC=C4N5C4=CC=CC=C34)C3=CC=CC=C23)C=C1

Output: 11-[4-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-1,22-diazaoctacyclo[13.13.2.02,7.08,29.09,14.016,21.022,30.023,28]triaconta-2,4,6,8(29),9(14),10,12,15(30),16,18,20,23,25,27-tetradecaene


Input: COC(=O)CC1COC2=CC(CCC3=CC=CC(C4=C(C)C=CC=C4C)=C3Cl)=CC=C21

Output: methyl 2-[(3S)-6-[2-[2-chloro-3-(2,6-dimethylphenyl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-3-yl]acetate


Input: COC1=CC(C=CC(=O)N2CCCC=C(Br)C2=O)=CC(OC)=C1OC

Output: 6-bromo-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-azepin-7-one


Input: CNCC(COC(C)C)OC

Output: 2-methoxy-N-methyl-3-propan-2-yloxypropan-1-amine


Input: NC(=O)C1=NN(CC(=O)N2CC(F)CC2C(=O)NC2=CN=CC(C3=NC=NC4=C3C=CC4)=C2)C2=CC=C(C3=CC=NN=C3)C=C12

Output: 1-[2-[2-[[5-(7H-cyclopenta[d]pyrimidin-4-yl)pyridin-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide


Output: 2-(3-iodopropyl)-2-methoxy-1,3,6,2-dioxathiasilocane


Input: [SiH3]O[SiH2]O[SiH](C1=CC=CC=C1)C(C1=CC=CC=C1)C1=CC=CC=C1

Output: benzhydryl-phenyl-silyloxysilyloxysilane


Input: NC(C(=O)C=CC(=O)O)C(=O)NCCN(CCNC(=O)C(N)C(=O)C=CC(=O)O)CCNC(=O)C(N)C(=O)C=CC(=O)O

Output: (Z)-5-amino-6-[2-[bis[2-[[(Z)-2-amino-5-carboxy-3-oxopent-4-enoyl]amino]ethyl]amino]ethylamino]-4,6-dioxohex-2-enoic acid


Input: CC1(C)C(C2=CC=CC=C2)C1C1=NC(C2(C(F)(F)F)CC2)=NO1

Output: 5-[(1S,3S)-2,2-dimethyl-3-phenylcyclopropyl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole


Input: CN1N=C(C2=C([N+](=O)[O-])C(N)=NN2)C=C1OC(F)F

Output: 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-nitro-1H-pyrazol-3-amine


Input: C#CC1=CC(C(=O)N(CCC)CCC)(C(CC2=CC(F)=CC(F)=C2)C(O)CNCC2=CC=CC(C#C)=C2)CC(C(N)=O)=C1

Output: 1-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethynylphenyl)methylamino]-3-hydroxybutan-2-yl]-5-ethynyl-1-N,1-N-dipropylcyclohexa-3,5-diene-1,3-dicarboxamide


Output: 2,2-dioxo-3-propan-2-yl-1-(propylsulfanylmethyl)-2lambda6,1,3-benzothiadiazin-4-one


Input: COC(=O)C(CC1=CC=CC=C1)NC1=CC(C2=CC=C(C=NOC3=CC=CC=C3)C=C2)=NC=N1

Output: methyl 2-[[6-[4-[(Z)-phenoxyiminomethyl]phenyl]pyrimidin-4-yl]amino]-3-phenylpropanoate


Input: CC(ON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[N+]3=CC=C4N=C(N)OC4=C3)CSC12)C1=C(Cl)SC(N)=N1)C(=O)O


Input: CC(=O)CCCC(=O)N(C)N

Output: N-methyl-5-oxohexanehydrazide


Input: CC1=CC=C(C2CN(C(C)C(=O)O)C(=O)C2CC(=O)CC2=CC=C(F)C=C2)C=C1

Output: 2-[(3S,4R)-3-[3-(4-fluorophenyl)-2-oxopropyl]-4-(4-methylphenyl)-2-oxopyrrolidin-1-yl]propanoic acid


Input: CC(=NC(=N)C1=CC=CC(C(F)(F)F)=C1)NC(=O)C1=CC(N2CCCCC2)=CC=C1NC(=O)C1=CC=CC(C(=O)N(C)CCN2CCOCC2)=C1

Output: 3-N-methyl-1-N-[2-[[C-methyl-N-[3-(trifluoromethyl)benzenecarboximidoyl]carbonimidoyl]carbamoyl]-4-piperidin-1-ylphenyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide


Output: 2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-1-ium-4-one


Input: COC1=CC(CN(C)C)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1

Output: 5-chloro-2-N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine


Input: CC1CC(OC2CC(OC(C)(C)C)C2)CCN1CCOC(C)(C)C

Output: (2S,4R)-2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine


Input: C=C(F)C1=C(C=CC)CN(C(C(=O)N2CCCC2C=O)C(C)C)C1=O

Output: 1-[2-[4-(1-fluoroethenyl)-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carbaldehyde


Input: C=CC(=O)OCOC(CCOC1=CC=C2C=C(C3=CC=C(CCCCC)C=C3C(F)(F)F)C(=O)OC2=C1)CCOC1=CC=C2C=C(C3=CC=C(CCCCC)C=C3C(F)(F)F)C(=O)OC2=C1

Output: 1,5-bis[[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxy]pentan-3-yloxymethyl prop-2-enoate


Input: CN;NC1=NC(C2=C(C(F)F)NN=C2)=CC(N2CCCC2)=N1

Output: 4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine;methanamine


Output: 3-bromo-2-(4-iodophenyl)sulfonylpropanenitrile


Output: N-dihydroxyphosphinothioyl-3,4,5-trimethyl-N-propan-2-yloxythiophen-2-amine


Input: COCN(C)S(N)(=O)=O

Output: methoxy-[methyl(sulfamoyl)amino]methane


Input: CC(=O)SCC1=C(C(=O)O)N2C(=O)C(NC(=O)CC3=CC=CC=C3)C2SC1

Output: (6R)-3-(acetylsulfanylmethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid


Input: CC(C)(C)OC(=O)NCC(=O)NC(C)(NS(=O)(=O)C1=CC=CC=C1)C(=O)O

Output: (2S)-2-(benzenesulfonamido)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid


Input: NCCCCC(Cl)C(=O)Cl

Output: 6-amino-2-chlorohexanoyl chloride


Input: CCCCCCCCCCC=CC(CC)(CC(N)=O)C(=O)O

Output: 2-(2-amino-2-oxoethyl)-2-ethyltetradec-3-enoic acid


Input: CCC1=CC2=C(C3=CC=CC4=CC=CC=C34)C=CC=C2[CH-]1;[CH2-]CCC;[CH2-]CCC;[Ti+3]

Output: butane;1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene;titanium(3+)


Input: N=C(N)N(N=C(N)N)OS(=O)(O)=S

Output: 1-(diaminomethylideneamino)-1-hydroxysulfonothioyloxyguanidine


Input: CCCCOC(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO


Input: C=C(CSC#N)SC#N

Output: 2-thiocyanatoprop-2-enyl thiocyanate


Output: [2-(hydroxymethyl)phenyl]peroxy-methylphosphinic acid


Input: O=C(C1=CC=CC=C1)C1(C(=O)C2=CC=CC=C2)C=CC=CC1

Output: (1-benzoylcyclohexa-2,4-dien-1-yl)-phenylmethanone


Input: CN1CCN(C2=CC=C(N3CN=C(Cl)C4=C3C=CS4)C=C2)CC1

Output: 4-chloro-1-[4-(4-methylpiperazin-1-yl)phenyl]-2H-thieno[3,2-d]pyrimidine


Output: ethyl 2-carbamoylcyclohexene-1-carboxylate


Input: O=C(O)C1=CC(SC2=CC=CC=C2)=C(C(=O)O)C=C1NC1=CC=C(Cl)C=C1

Output: 2-(4-chloroanilino)-5-phenylsulfanylterephthalic acid


Input: O=S(=O)(OC1=CC=C2N=CNC2=C1)C1=CC=C(N2C=CN=C2)C=C1

Output: 3H-benzimidazol-5-yl 4-imidazol-1-ylbenzenesulfonate


Input: CCC1(N)C=CC(CC)(NN(C2=CC=CC=C2)C2=CC=CC=C2)C=C1

Output: 4-(2,2-diphenylhydrazinyl)-1,4-diethylcyclohexa-2,5-dien-1-amine


Input: CCC(=CCC(C)C)C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

Output: (8S,9S,10R,13S,14S,17R)-17-[(2S)-3-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one


Input: CC1=CC=C(S(=O)(=O)OC2=CC(C)=NN2C2=CC=C(C(=O)O)C=C2)C=C1

Output: 4-[3-methyl-5-(4-methylphenyl)sulfonyloxypyrazol-1-yl]benzoic acid


Input: CCCC1=NC2=C(N)N=C(C)C=C2N1CCOCCC(C)(C)C(N)=O

Output: 4-[2-(4-amino-6-methyl-2-propylimidazo[4,5-c]pyridin-1-yl)ethoxy]-2,2-dimethylbutanamide


Input: CCCCC1(C(OC)(C(=O)[O-])C(F)(F)F)C=CCC(C)(C)C1SC1=NC(OC)=CC(OC)=N1

Output: 2-[1-butyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-5,5-dimethylcyclohex-2-en-1-yl]-3,3,3-trifluoro-2-methoxypropanoate


Input: CCCCOOC(C)(CCC(=O)[O-])C(C)(C)C(=O)[O-]

Output: 3-butylperoxy-2,2,3-trimethylhexanedioate


Input: COC1=CC=C(CC2=C(CC3=CC=C(OC)C=C3)N3C(OC(C)C)=CSC3=N2)C=C1

Output: 5,6-bis[(4-methoxyphenyl)methyl]-3-propan-2-yloxyimidazo[2,1-b][1,3]thiazole


Input: O=C(NCCO)C1=CC2=CC=CC=C2N1S(=O)(=O)NC1CC1

Output: 1-(cyclopropylsulfamoyl)-N-(2-hydroxyethyl)indole-2-carboxamide


Input: CC(C)S(=O)(=O)C1=CC2=C(C=NN2)C=C1C1(N)C=CNC(N)=N1

Output: 4-(6-propan-2-ylsulfonyl-1H-indazol-5-yl)-1H-pyrimidine-2,4-diamine


Input: CC1=CC=C(N2C3=CC=CC=C3C3=CC(N)=C(C)N=C32)C(C)=C1

Output: 9-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]indol-3-amine


Input: CC=COOC=C([O-])O

Output: (E)-1-hydroxy-2-[(E)-prop-1-enyl]peroxyethenolate


Input: COC(=O)C1C(OCC2=CC=CC=C2)CC(C)N1C(=O)OCC1=CC=CC=C1

Output: 1-O-benzyl 2-O-methyl (5R)-5-methyl-3-phenylmethoxypyrrolidine-1,2-dicarboxylate


Input: NC1=NC=CC(SC2=CN=C(OC3CCC(N)C3)N3C=CN=C23)=C1Cl

Output: 4-[5-[(1R,3S)-3-aminocyclopentyl]oxyimidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine


Input: CC1CN(C(C)COC2=CC=C(N3C=CC(NC(=O)N4CCN(C(=O)C(C)(C)N)CC4)=NC3=O)C=C2)CC1CN

Output: N-[1-[4-[2-[(3S,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide


Input: CCCCCCCCOC1=CC=CC=C1C(=O)NC1=CC=C(C(=O)OCC[N+]2(C)CCCC2)C=C1

Output: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 4-[(2-octoxybenzoyl)amino]benzoate


Input: CC(C)(C)C1=CC=C(OP(N2C=CC=C2)N2C=CC=C2)C(C2=C(C(C)(C)C)C(C(C)(C)C)=CC=C2OP(N2C=CC=C2)N2C=CC=C2)=C1C(C)(C)C

Output: [3,4-ditert-butyl-2-[2,3-ditert-butyl-6-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane


Input: CN1CCN(C2=CC(C(=O)NC3CCC4=NC=CN4C3)=CC=N2)CC1

Output: 2-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyridine-4-carboxamide


Output: N-tert-butyl-2-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)carbamoylamino]acetamide


Input: O=C(CC1CCCCC1)N1CCC23OCC(C4=CC=CC=C4)N2C(=O)CC13

Output: (1S,4R,8R)-9-(2-cyclohexylacetyl)-4-phenyl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one


Output: 2-(dimethylamino)quinoline-4-carboxamide;formic acid


Input: CC=CC=CN(C)SC

Output: (1Z,3Z)-N-methyl-N-methylsulfanylpenta-1,3-dien-1-amine


Input: COC(=O)C1CN(C(=O)C2CCN(C(=O)C3=CC=C(NC4=NC=CN5C(I)=CN=C45)C=C3Cl)CC2)CCN1C(=O)OC(C)(C)C

Output: 1-O-tert-butyl 2-O-methyl (2S)-4-[1-[2-chloro-4-[(3-iodoimidazo[1,2-a]pyrazin-8-yl)amino]benzoyl]piperidine-4-carbonyl]piperazine-1,2-dicarboxylate


Input: CC1=CC(N2N=CN=C2C)=C2C=CC=C(OCC3=C(Cl)C=C(F)C=C3C(C)N)C2=N1

Output: 1-[3-chloro-5-fluoro-2-[[2-methyl-4-(5-methyl-1,2,4-triazol-1-yl)quinolin-8-yl]oxymethyl]phenyl]ethanamine


Input: CCOC(=O)C1=CC=C2C(=C1)N=C(NC1=NC3=CC(F)=C(C(F)(F)F)C=C3O1)N2C

Output: ethyl 2-[[5-fluoro-6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]-1-methylbenzimidazole-5-carboxylate


Input: CC1=CC=C(C2=CN3C=C(F)C=NC3=N2)C=C1NC(=O)C1=CC=CC=C1C

Output: N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-methylbenzamide


Input: O=C(C1CCCO1)N1CCC2=C(C1)C1=CC=C(Cl)C(Cl)=C1N2

Output: (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(oxolan-2-yl)methanone


Input: CCCCC1CC2=CC(OC)=CC=C2C(C2=NN(C)C=C2)=N1

Output: (3S)-3-butyl-6-methoxy-1-(1-methylpyrazol-3-yl)-3,4-dihydroisoquinoline


Input: CC(C)(C)OC(=O)NC1CCC2=CC=CC3=C2N(C1=O)C(C(=O)NC(CCC(N)=O)COC1=CC=CC(CCCC(N)=O)=C1Cl)C3

Output: tert-butyl N-[(2S,11S)-2-[[(2S)-5-amino-1-[3-(4-amino-4-oxobutyl)-2-chlorophenoxy]-5-oxopentan-2-yl]carbamoyl]-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-11-yl]carbamate


Output: 8-(6-aminopyridin-3-yl)-2,8-diazaspiro[4.5]decan-1-one


Input: [N-]=[N+]=NCCOCCOCCOCCNC(=O)C1=CC=C(C2=C3C=C4CCC[N+]5=C4C(=C3OC3=C2C=C2CCCN4CCCC3=C24)CCC5)C(C(=O)[O-])=C1

Output: 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate


Input: C1=CCC2=C(C3=CC=CC=C3)C(C3=CC=CC(C4=CC=CC(C5=NC(C6=CC=C(C7=CC=CC=C7)C=C6)=NC(C6=CC=C(C7=CC=CC=C7)C=C6)=N5)=C4)=C3)=NC(=C2)C=C1

Output: (3Z,5Z)-9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-10-phenyl-8-azabicyclo[5.3.1]undeca-1(11),3,5,7,9-pentaene


Input: CC1=CC=C(C)C(N(C2=CC=C3C=C4C(=CC3=C2)OC2=C4C=C(C(C)C)C3=C2OC2=CC4=CC(N(C5=CC=CC=C5C)C5=CC(C)=CC=C5C)=CC=C4C=C23)C2=CC=CC=C2C)=C1


Input: CN(C)C1=CC(NC2=NC=C3C(=O)N4CC=CCCCN5C(=O)COC6=CC=C(C=C65)N4C3=N2)=CC2=C1C=CN2C

Output: (12Z)-5-[[4-(dimethylamino)-1-methylindol-6-yl]amino]-20-oxa-2,4,6,10,17-pentazapentacyclo[15.6.2.02,10.03,8.021,25]pentacosa-1(24),3,5,7,12,21(25),22-heptaene-9,18-dione


Output: [(6R)-6-methoxy-5-oxaspiro[3.4]octan-2-yl] benzoate


Output: tert-butyl N-[[(3R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate


Input: O=C(C1=CC=NN1)N1CCOC(CN2CCC(O)CC2)C1C1=CC=CC=C1

Output: [(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone


Input: CC(C)CCCC(C)CCOC1=CC=C[N+](CC(O)(P(=O)([O-])O)P(=O)(O)O)=C1

Output: [2-[3-(3,7-dimethyloctoxy)pyridin-1-ium-1-yl]-1-hydroxy-1-phosphonoethyl]-hydroxyphosphinate


Input: NC1=NC(NCCC2=CC=C(OC3=CC=CC=C3)C=C2)=NC(C2=CC(Cl)=CC=C2CO)=N1

Output: [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol


Input: CC(C)(C)C1=CC=C2CC3(C)CCCC4C3C(CCC4(C)C)C2=C1

Output: (3aR,6aS,11bS,11cR)-10-tert-butyl-3,3,6a-trimethyl-2,3a,4,5,6,7,11b,11c-octahydro-1H-benzo[a]phenalene


Input: COC1=CC=C(CN(N)C2=CC(C)=CC(B(O)O)=N2)C=C1

Output: [6-[amino-[(4-methoxyphenyl)methyl]amino]-4-methylpyridin-2-yl]boronic acid


Output: 2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid;hydrochloride


Input: O=C(C1=CSC=N1)N1CCOC2(CCN(CC3CCCC3)CC2)C1;O=C(O)C(F)(F)F

Output: [9-(cyclopentylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid


Input: CCN(C)C(=O)C1=CN=C(C2=NOC3=CC(C4=CC=CN=C4)=CC=C23)S1;O=C(O)C(F)(F)F

Output: N-ethyl-N-methyl-2-(6-pyridin-3-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide;2,2,2-trifluoroacetic acid


Input: COCCC1(C(=O)NC2CCOCC2)CNC(=O)CCCN(CC=C(C)C)CCCNC(=O)COC2=CC=C(C=C2)C1

Output: 16-(2-methoxyethyl)-9-(3-methylbut-2-enyl)-N-(oxan-4-yl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxamide


Output: (3S,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-4-(hydroxymethyl)-4-propylpiperidin-3-ol


Input: CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)C1=CC=C(Cl)C=C1OCC(N)CC1=CC=CC=C1)C(=O)O

Output: (2S)-2-[[(2S)-5-amino-2-[[2-[(2S)-2-amino-3-phenylpropoxy]-4-chlorobenzoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid


Output: 5-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydropyrazine


Output: 8-propan-2-yl-6-azaspiro[3.4]octan-7-one


Input: CC(=O)N1C(=O)C(=COC2OC(=O)C(C)=C2C)C2C3=CC=CC=C3CC21

Output: (1E)-3-acetyl-1-[(3,4-dimethyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one


Input: COC1=CC(S(C)(=O)=O)=CC=C1NCC#CC1=CC2=C(NC3CCN(CC(O)COCF)CC3)C=CC=C2N1CC(F)(F)F

Output: 1-(fluoromethoxy)-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol


Input: C1=CC(C2=CC=C(C3=CC=C(N(C4=CC=C(C5=CC=CC(N6C7=CC=CC=C7C7=CC=CC=C76)=C5)C=C4)C4=CC=C(C5=CC=CC6=C5C5=CC=CC=C5O6)C=C4)C=C3)C=C2)=CC(C2=CC=C3C=CC=CC3=C2)=C1

Output: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline


Input: COC1=CC=C2CN(C(=O)C(OC3CCCCC3)C3=CC=CC=C3)CCC2=C1OCC1=CC=CC=C1

Output: 2-cyclohexyloxy-1-(6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylethanone


Input: COCOC1=CC(C2CC3(O)N=C(SC)NC(=O)C3CO2)=C2C(Br)=CC=CC2=C1

Output: 7-[8-bromo-3-(methoxymethoxy)naphthalen-1-yl]-8a-hydroxy-2-methylsulfanyl-4a,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-4-one


Input: COC1=CC=C(C2=CCN(C3=C(C#N)C(O)N(C)C4=CC=CC=C34)CC2)C=C1OC

Output: 4-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-1-methyl-2H-quinoline-3-carbonitrile


Output: N,N-diethyl-2-[4-(methylaminomethyl)pyrazol-1-yl]ethanamine


Input: CC(C)(C)OC(=O)NC1CCCN(C2=CC=CN=N2)C1;Cl;NC1CCCN(C2=CC=CN=N2)C1

Output: tert-butyl N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamate;(3S)-1-pyridazin-3-ylpiperidin-3-amine;hydrochloride


Input: COCC(C)C1=CC(C2=CC=NN2)=CC2=NC(N)=NC(N)=C12

Output: 5-(1-methoxypropan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine


Input: C=CC=CC(=C(OC)C(C)CC)C(C)NC(=C)C=CN1N=CC(C(=O)OCC)=C1CCC

Output: ethyl 1-[(1Z)-3-[[(3Z,4Z)-3-(1-methoxy-2-methylbutylidene)hepta-4,6-dien-2-yl]amino]buta-1,3-dienyl]-5-propylpyrazole-4-carboxylate


Input: CN(C1=CC=CC(F)=C1)C1=NC(Cl)=NC2=CC([N+](=O)[O-])=CC=C12

Output: 2-chloro-N-(3-fluorophenyl)-N-methyl-7-nitroquinazolin-4-amine


Input: CC1=CC=C(CNC2=NC(C3=CC=CN=C3)=NC3=C2C=NN3C)C=C1

Output: 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine


Input: COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)C=CC1=CC=C(O)C2=C1C(C(=O)OC(CC1=CC=C(O)C(O)=C1)C(=O)O)C(C1=CC=C(O)C(O)=C1)O2


Input: CC(C)(CCCCCN1C(=O)C2=CC=CC=C2C1=O)[N+](=O)[O-]

Output: 2-(6-methyl-6-nitroheptyl)isoindole-1,3-dione


Output: 4-(2-aminopyrimidin-5-yl)pyridine-2-carboxylic acid


Input: NC(=O)C1=C(F)C=CC(OC(COC(=O)C2=CC=CC=C2)C(=O)CO)=C1F

Output: [2-(3-carbamoyl-2,4-difluorophenoxy)-4-hydroxy-3-oxobutyl] benzoate


Input: CCC(O[Si](CC)(CC)CC)C(C)C1OC1CC(C)(C=CC=C(C)C1OC(=O)CC(O[Si](CC)(CC)CC)CCC(C)(OC)C(OC(=O)N2CCNCC2)C=CC1C)O[Si](CC)(CC)CC


Input: CC1=CC2=NN(C3=CC4=C(C=C3O)OC(C)(C)O4)N=C2C=C1

Output: 2,2-dimethyl-6-(5-methylbenzotriazol-2-yl)-1,3-benzodioxol-5-ol


Output: 2-[5-(difluoromethyl)pyridin-2-yl]acetohydrazide


Input: CC;CN1C(=O)C(NC(=O)C2=NC=C(Cl)C(C3=CC=C(F)C=C3F)=N2)COC2=CC=C(C3=CNN=C3)C=C21

Output: 5-chloro-4-(2,4-difluorophenyl)-N-[(3S)-5-methyl-4-oxo-7-(1H-pyrazol-4-yl)-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrimidine-2-carboxamide;ethane


Output: 4-buta-1,3-dien-2-yl-5-fluoro-2-methylpyridine;ethane


Output: 1-(4-methylphenyl)-1-(2-phenylethyl)hydrazine;hydrochloride


Output: (E)-1-(2-fluorophenyl)ethene-1,2-diamine


Input: O=C1NC2(CO1)CC(C(=O)N1CCC(C3=CC=C4C=CC=CC4=C3)CC1)C2

Output: 2-(4-naphthalen-2-ylpiperidine-1-carbonyl)-7-oxa-5-azaspiro[3.4]octan-6-one


Input: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C

Output: [(2R)-1-[[(2R)-3-[[(2R)-2,3-bis(10-methylundecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-(13-methyltetradecanoyloxy)propan-2-yl] pentacosanoate


Input: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C


Input: CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC

Output: [(2R)-1-[hydroxy-[(2R)-2-hydroxy-3-[hydroxy-[(2R)-3-(13-methyltetradecanoyloxy)-2-octadecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylnonadecanoyloxy)propan-2-yl] tricosanoate


Input: CC(C)(C)OCC1(CO)COC1;CC(C)(C)OCC1(O)COC1

Output: 3-[(2-methylpropan-2-yl)oxymethyl]oxetan-3-ol;[3-[(2-methylpropan-2-yl)oxymethyl]oxetan-3-yl]methanol


Input: CS(=O)(=O)OC1CCCC1OS(C)(=O)=O;Cl;Cl;NC1CCCC1N;OC1CCCC1O;[N-]=[N+]=NC1CCCC1N=[N+]=[N-]

Output: (1R,2S)-cyclopentane-1,2-diamine;(1S,2R)-cyclopentane-1,2-diol;(1S,2R)-1,2-diazidocyclopentane;[(1R,2S)-2-methylsulfonyloxycyclopentyl] methanesulfonate;dihydrochloride


Input: CN(CCC(=O)NC(CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C

Output: tert-butyl N-methyl-N-[3-oxo-3-[[(1S)-1-phenyl-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]carbamate


Output: 2,8-bis(2,4-difluorophenyl)-5,11-bis[4-(2,4-difluorophenyl)phenyl]-6,12-diphenyltetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene


Output: 4-chloro-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide


Input: BrC1=C2C=CC=CC2CC=C1C#CC1=CC=C2C=CC=CC2=C1;C1=CC=C2C=C(C3=C4C(=C(C5=CC=CC6=CC=CC=C56)C5=CC=C6C=CC=CC6=C45)C4=C3C=CC3=CC=CC=C43)C=CC2=C1;CC1=C(C#CC2=CC=CC3=CC=CC=C23)C=CC2=CC=CC=C12


Input: O=C(CC1=CC=C(NC(=O)C2=C(C(=O)NCC3CCCO3)NC=N2)C=C1)C1=CC=C(F)C=C1Cl

Output: 4-N-[4-[2-(2-chloro-4-fluorophenyl)-2-oxoethyl]phenyl]-5-N-(oxolan-2-ylmethyl)-1H-imidazole-4,5-dicarboxamide


Input: ClC1=CC=CC2=C1C1=C(C3=CC=C4C5=CC=CC=C5C5=CC=CC=C5C4=C3)C=CC=C1O2;O=S(=O)(OC1=CC=CC2=C1C1=C(Cl)C=CC=C1O2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;[W];[W]

Output: (9-chlorodibenzofuran-1-yl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1-chloro-9-triphenylen-2-yldibenzofuran;tungsten


Input: C1=CC=C([S+](C2=CC=CC=C2)C2=CC=CC=C2)C=C1;ClC1=CC=C([S+](C2=CC=CC=C2)C2=CC=CC=C2)C=C1;O=C(OCCCCCl)C(F)(F)S(=O)(=O)[O-];O=C(OCCCCCl)C(F)(F)S(=O)(=O)[O-]

Output: 2-(4-chlorobutoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-chlorophenyl)-diphenylsulfanium;triphenylsulfanium


Output: (1S,2S)-2-[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-1-phenylethanol


Input: C1=CC=C(C2=CC=C3C=C4C5=C(C=CC4=CC3=C2)CC2=CC=CC=C25)C=C1


Input: O=C(CCC1=CC=C(COC2=CC=CC=C2Cl)C=C1)C1CCCN1S(=O)(=O)C1=CC=C(Cl)S1

Output: 3-[4-[(2-chlorophenoxy)methyl]phenyl]-1-[(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-1-one


Input: O=C(O)C1=CC=C(CC2(C3=CC4=CC=CC=C4C3)CC3=CC=CC=C3C2O)C=C1;O=C(O)C1=CC=C(CC2(C3=CC4=CC=CC=C4C3)CC3=CC=CC=C3C2O)C=C1

Output: 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzoic acid;4-[[(1R,2R)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]benzoic acid


Output: 1-imidazo[1,5-a]pyridin-5-yl-3-(4-methoxyphenyl)propan-2-one


Input: C=CCCC(=O)N1CC(OC(=O)N2CC3=CC=CC=C3C2)CC1C(=O)O;C=CCCCCCCC(NC(=O)C1CC(OC(=O)N2CC3=CC=CC=C3C2)CN1C(=O)CCC=C)B1OC2CC3CC(C3(C)C)C2(C)O1


Input: C1=CC2=C3SC4=[N+](CC5=CC=NC=C54)C3=CN2N=C1

Output: 11-thia-4,5,15-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2,5,7,9,13(18),14,16-octaene


Input: CN1C=C(C2=CC=C3C=NC(CC(=O)C4CCN(C5CCC5)C4)=CC3=C2)C=N1

Output: 1-(1-cyclobutylpyrrolidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone


Input: CCC1OC(N2C=C(SC)C3=CC=CC=C32)C(C)C(C)C1C;CCC1OC(N2C=CC3=CC=CC=C32)C(C)C(C)C1C;CSCl

Output: 1-[(2R,3R,4S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]indole;1-[(2R,3R,4S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-3-methylsulfanylindole;methyl thiohypochlorite


Input: NC(CC1=CNC2=CC=CC=C12)C(=O)O;O=C(O)C1CC2=C(NC3=CC=CC=C23)C(C2=CC=C([N+](=O)[O-])C=C2)N1;O=CC1=CC=C([N+](=O)[O-])C=C1

Output: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;4-nitrobenzaldehyde;1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid


Input: CC#CC1(O)C2CC2C2C3C4CC4C4=CC(=O)CCC4(C)C3CCC21C

Output: (2R,4R,10R,14S,15S,16S)-15-hydroxy-10,14-dimethyl-15-prop-1-ynylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-en-7-one


Output: 7,10-bis(5-pyridin-3-ylpyridin-2-yl)benzo[c]carbazole;7-(5-pyridin-3-ylpyridin-2-yl)-10-(6-pyridin-2-ylpyridin-3-yl)benzo[c]carbazole;7-(5-pyridin-3-ylpyridin-2-yl)-10-quinolin-2-ylbenzo[c]carbazole


Input: CCC1(OC(=O)COC(=O)C2=CC=C(C)C([S+]3C4=CC=CC=C4C4=CC=CC=C43)=C2)CCCC1

Output: [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 3-dibenzothiophen-5-ium-5-yl-4-methylbenzoate


Input: C=CC(=O)CC1=CC=CC(C)=C1NC1=CC2=C(NCC3=CN(C)N=C3)N=C(C3=C(Cl)C(OC)=CC(OC)=C3Cl)C=C2C=N1

Output: 1-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[(1-methylpyrazol-4-yl)methylamino]-2,6-naphthyridin-3-yl]amino]-3-methylphenyl]but-3-en-2-one


Input: CCN(CC)C(=O)N1CCN(CCN2CCC3=CC=CC=C32)CC1;CCN(CC)S(=O)(=O)N1CCN(CCN2CCC3=CC=CC=C32)CC1;O=S(=O)(C1=CC=C(OC(F)(F)F)C=C1)N1CCN(CCN2CCC3=CC=CC=C32)CC1


Input: N=C(N)C1=CC=C2C=C(C(=O)NC3=CC=C(NCC(=NC=O)C(=O)O)C=C3)N=CC2=C1

Output: 3-[4-[(7-carbamimidoylisoquinoline-3-carbonyl)amino]anilino]-2-formyliminopropanoic acid


Input: C=C(C)C(=O)OC1(C(C)(C)C)CCC(C)(O)CC1;C=C(C)C(=O)OC1(C(C)(C)CC)CCC(C)(O)CC1;C=C(C)C(=O)OC1(CC)CCC(C)(O)CC1;C=C(C)C(=O)OCC(=O)OC1(C)C=CC(C)(O)CC1;C=CC1(OC(=O)COC(=O)C(=C)C)CCC(C)(O)CC1


Input: CCC(CCCCNC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(N)=O)C(=O)O)C(C)=O

Output: 2-[(18-amino-18-oxooctadecanoyl)amino]-8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-5-oxooctanoic acid


Input: CN1C=CC2=C(COCC[Si](C)(C)C)C=C(C(=O)O)C=C21

Output: 1-methyl-4-(2-trimethylsilylethoxymethyl)indole-6-carboxylic acid


Input: C;CC(=O)C1=C(C)N(C)N=C1C;CC(=O)C1=C(C)N(C)N=C1C

Output: methane;1-(1,3,5-trimethylpyrazol-4-yl)ethanone


Input: CC(C)C(NC(=O)OCC1=CC=CC=C1)C(=O)CC1CC2=CN(CCNC(=O)C1=O)N=N2

Output: benzyl N-[1-(5,6-dioxo-1,4,10,11-tetrazabicyclo[7.2.1]dodeca-9(12),10-dien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate


Input: N#CC1=CC=C2C3=CC=CC=C3C3(C2=C1)C1=CC=CC=C1C1=C3C=C(C2=CC=C(C3=NC(C4=CC=CC=C4)=NC(C4=CC=CC=C4)=N3)C=C2)C2=CC=CC=C12

Output: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-2'-carbonitrile


Input: COCC1=NN=C2C3=CC(C)=CC=C3N3C=NC(C#CC4=CC=C(OC)C(C)=N4)=C3CN12

Output: 9-(methoxymethyl)-5-[2-(5-methoxy-6-methylpyridin-2-yl)ethynyl]-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene


Input: CN1CCN(CCCC(=O)C2=CC=C(C(=O)NC3=CC(C4=CC=CN=C4)=CC=C3N)C=C2)CC1;CN1CCN(CCCC(=O)C2=CC=C(C(=O)NC3=CC(C4=CC=CN=C4)=CC=C3NC(=O)OC(C)(C)C)C=C2)CC1

Output: N-(2-amino-5-pyridin-3-ylphenyl)-4-[4-(4-methylpiperazin-1-yl)butanoyl]benzamide;tert-butyl N-[2-[[4-[4-(4-methylpiperazin-1-yl)butanoyl]benzoyl]amino]-4-pyridin-3-ylphenyl]carbamate


Output: (2Z,4E)-5-[(1R,2R)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid


Input: CCC1=CC=NC=C1;CCC1=CC=NC=C1;CCC1=CC=NC=C1;CCC1=CC=NC=C1;[Ni]


Input: CC#CC(CC(=O)O)C1=CC=C(OCC2=CC=C(OC)C=C2)C=C1;S

Output: (3S)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-4-ynoic acid;sulfane


Input: CC;CC;CC;CC;CC;CC;CC1C[SiH](C)O[Si](C)(CCCCOCC2CO2)O[SiH](CC[SiH2]O[SiH2]O[SiH2]CC[SiH]2OC(C)C[Si](C)(CC[SiH2]O[SiH2]O[SiH2]CC[SiH]3OC(C)C[SiH](C)O[Si](C)(CCCCOCC4CO4)O3)O[Si](C)(CCCCOCC3CO3)O2)O1


Input: CCCCCCCCCCCCCCCCCCCC(=O)C1=CSC2=CC=C(OCC)C=C12

Output: 1-(5-ethoxy-1-benzothiophen-3-yl)icosan-1-one


Input: CCCCCCCCCCCCC1=CC=C([I+]C2=CC=CC=C2)C=C1;FP(F)(F)(F)F;[F-]

Output: (4-dodecylphenyl)-phenyliodanium;pentafluoro-lambda5-phosphane;fluoride


Input: O;O;O;O=[N+]([O-])[O-];O=[N+]([O-])[O-];O=[N+]([O-])[O-];[Bi+3]

Output: bismuth;trinitrate;trihydrate


Input: CC(=O)OC12COC1CC(C)C1(C)C(O)C(C)C3=C(C)C(O)CC(O)(C(OC(=O)C4=CC=CC=C4)C21)C3(C)C

Output: [(1S,4S,7R,9S,10R,11R,12R,15S)-4-acetyloxy-1,11,15-trihydroxy-9,10,12,14,17,17-hexamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate


Input: CCCC(CC(=O)C1CC(OCC2=CC=CC=C2)CN1C(=O)C(CC(=O)C1=CC=CC=C1[N+](=O)[O-])C1CCCCC1)C(=O)C(=O)CCC(=O)NC(C(=O)O)C1=CC=CC=C1

Output: 2-[[6-[2-[(2S,4R)-1-[2-cyclohexyl-4-(2-nitrophenyl)-4-oxobutanoyl]-4-phenylmethoxypyrrolidin-2-yl]-2-oxoethyl]-4,5-dioxononanoyl]amino]-2-phenylacetic acid


Input: C;C;C=CCBr;C=CCC1=CC(C2=CC=C(O)C(CC=C)=C2)=CC=C1O;C=CCOC1=CC=C(C2=CC=C(OCC=C)C(CC=C)=C2)C=C1CC=C;O=CO[O-];[H-];[K+];[K+]

Output: dipotassium;3-bromoprop-1-ene;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;methane;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-2-prop-2-enylbenzene


Input: C;CN(C(=O)C1=CC=CC=C1)S(C)(=O)=O;CN(C=O)S(C)(=O)=O;COC(=O)CC(C)CC(=O)OC;CS(=O)(=O)N1CCC(=O)CC1;CS(=O)(=O)N1CCCC1=O;CS(=O)(=O)N1CCN(CC=CC2=CC=CC=C2)CC1;O=CN(C1=CC=CC=C1)S(=O)[O-]


Input: C=S1(=O)CCC(C(=O)N2CCN(C3=NC=C(C(F)(F)F)C=N3)CC2C2=CC=C(F)S2)CC1;C=S1(=O)CCC(C(=O)N2CCN(C3=NC=C(C)C=N3)CC2C2=CC=C(F)S2)CC1;C=S1(=O)CCC(C(=O)N2CCN(C3=NN=C(C(F)(F)F)S3)CC2C2=CC=C(F)S2)CC1


Input: COC1=CC=C(NC2=CC(Cl)=NN=C2C(N)=O)N=C1C(C)C;COC1=CC=C(NC2=CC(NCCN)=NN=C2C(N)=O)N=C1C(C)C

Output: 6-(2-aminoethylamino)-4-[(5-methoxy-6-propan-2-ylpyridin-2-yl)amino]pyridazine-3-carboxamide;6-chloro-4-[(5-methoxy-6-propan-2-ylpyridin-2-yl)amino]pyridazine-3-carboxamide


Input: COC(=O)OCOC1=C2C(=O)N3CCC(C)(F)CC3N(C3C4=CC=CC=C4C4=C(N=CS4)C4=C3C=CC(F)=C4F)N2C=CC1=O


Output: 1-ethyl-3-[4-(2-methylpropyl)phenoxy]piperidine


Input: CCCCC=CCCCC(=O)OCC(COC(=O)CCCC=CCCCC)OC(=O)CC(C)CCCCCCC(C)O

Output: 1,3-bis[[(Z)-dec-5-enoyl]oxy]propan-2-yl 10-hydroxy-3-methylundecanoate


Input: C;CCC(C)C(=O)NCCO

Output: N-(2-hydroxyethyl)-2-methylbutanamide;methane


Input: CC1=CC=NN1C1=CC=CN=C1;CC1=NN(C2=CC=CN=C2)C=C1

Output: 3-(3-methylpyrazol-1-yl)pyridine;3-(5-methylpyrazol-1-yl)pyridine


Output: [[(2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5R)-2-(azidomethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-prop-2-enyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5R)-4-ethenyl-2-(fluoromethyl)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate


Input: COC1=CC(C)=C(CC2=CC=CC(Cl)=C2F)C=C1C(C)=O;COC1=CC=C(CC2=CC=CC(Cl)=C2F)C(C)=C1

Output: 1-chloro-2-fluoro-3-[(4-methoxy-2-methylphenyl)methyl]benzene;1-[5-[(3-chloro-2-fluorophenyl)methyl]-2-methoxy-4-methylphenyl]ethanone


Input: CCC(CC(=O)C(CC1=NC=NN1)NC(C1=CC=C(F)C(OC2CCC2)=C1)C(C)(F)F)C(=O)C(=O)CC1CC1

Output: (4R,7S)-7-[[(1S)-1-(3-cyclobutyloxy-4-fluorophenyl)-2,2-difluoropropyl]amino]-1-cyclopropyl-4-ethyl-8-(1H-1,2,4-triazol-5-yl)octane-2,3,6-trione


Input: C;C;C;C;C;C;CCCCCCCC(=O)C(C)(N)C(O)OC;CCCCCCCCC(=O)C(C)(N)C(O)OC;CCCCCCCCCC(=O)C(C)(N)C(O)OC

Output: 2-amino-1-hydroxy-1-methoxy-2-methyldecan-3-one;2-amino-1-hydroxy-1-methoxy-2-methyldodecan-3-one;2-amino-1-hydroxy-1-methoxy-2-methylundecan-3-one;methane


Input: CC(=O)OC(CC(=O)OC1CCC(CC2=CC(N3N=C(C)C4=C3CCCC4=O)=CC=C2C(N)=O)CC1)C[N+](C)(C)C

Output: [2-acetyloxy-4-[4-[[2-carbamoyl-5-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)phenyl]methyl]cyclohexyl]oxy-4-oxobutyl]-trimethylazanium


Input: O=[NH+]C1=CC2=C(C=C1C=C1C(=O)NN(C3=CC=CC(Cl)=C3)C1=O)OCO2;[OH-]

Output: [6-[(E)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]-1,3-benzodioxol-5-yl]-oxoazanium;hydroxide


Input: [CH2-]C1=CC=CC=C1[CH-]C1=CC=CC=C1[PH+](CC(C)C)CC(C)C;[CH2-]C1=CC=CC=C1[N-]C1=CC=CC=C1[PH+](CC(C)C)CC(C)C;[Cu+];[Cu]

Output: [2-[bis(2-methylpropyl)phosphaniumyl]phenyl]-(2-methanidylphenyl)azanide;copper;copper(1+);[2-[(2-methanidylphenyl)methyl]phenyl]-bis(2-methylpropyl)phosphanium


Input: CC1=CC=C(COC2=CC=C(C(C)C3=CC=C(C)C=C3C)C=C2)C=C1;P

Output: 2,4-dimethyl-1-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]benzene;phosphane


Output: 3,5-bis(trifluoromethyl)benzenesulfonate;(4-bromophenyl)-bis(4-chlorophenyl)sulfanium;methanesulfonate;trifluoromethanesulfonate;tris(4-chlorophenyl)sulfanium;tris(4-fluorophenyl)sulfanium


Input: C;C;CN=P(C)(OC1=CC=C(C2=CC=C(C(=O)O)C=C2)C=C1)OC1=CC=C(C2=CC=C(C(=O)O)C=C2)C=C1

Output: 4-[4-[[4-(4-carboxyphenyl)phenoxy]-methyl-methylimino-lambda5-phosphanyl]oxyphenyl]benzoic acid;methane


Input: COC1=CC=C(CC2=CC(C3=CC(F)=CC=C3OC)=NC=N2)C=C1O

Output: 5-[[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol


Input: O=C(NC1=NCC2=CC=C(C(=O)NC3(C4=CC=CC=N4)CC3)C=C12)C1=CC=C(F)C=C1

Output: 3-[(4-fluorobenzoyl)amino]-N-(1-pyridin-2-ylcyclopropyl)-1H-isoindole-5-carboxamide


Input: CC1=C2CC=CC3=CC(C)=C4C=CC=C(C1)C4=C23;CC1=CC2=C3C=CC=C(C)C3=CC=C2C2=CC=CC=C12;CC1=CC=CC=N1;CC1=CC=CN=C1;CC1=CC=NC=C1;CC1=CC=NC=N1;CC1=NC=CC=N1

Output: 1,6-dimethylchrysene;5,10-dimethyl-1,9-dihydropyrene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine


Input: CC1=CC=CC=N1;O=C(NC1=CC(C(F)(F)F)=CC=N1)C1=CC=CC=C1

Output: 2-methylpyridine;N-[4-(trifluoromethyl)pyridin-2-yl]benzamide


Input: C1=CC=C2CCCC2=C1;CC(=CC(C(C)C)N(C)C(=O)CNC=O)C(=O)N1CCCC1C(=O)O;CC(C)N1CCCCC1;CCC

Output: 2,3-dihydro-1H-indene;(2S)-1-[(E,4S)-4-[(2-formamidoacetyl)-methylamino]-2,5-dimethylhex-2-enoyl]pyrrolidine-2-carboxylic acid;propane;1-propan-2-ylpiperidine


Input: CCC1=C(C2=CC=C3C4=C(CCN(C)C4)CC3=C2)N=C(OCC2=CC=CC=C2)C(C(=O)OCC2=CC=CC=C2)=C1OCC1=CC=CC=C1

Output: benzyl 5-ethyl-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate


Input: FCF;O=S(=O)([N-]C1=NN=C(F)S1)C(F)(F)F;[H-];[Li+]

Output: lithium;difluoromethane;(5-fluoro-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide;hydride


Input: OC1=C(C2=NCCOC2)C2=CC(CCC3CCOC3)=CC=C2N1C1CCOCC1

Output: 3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1-(oxan-4-yl)-5-[2-(oxolan-3-yl)ethyl]indol-2-ol


Input: COC1=CC2=C(C=C1OC)C1(CCC3C(COC(=O)C(C)(C)C)C31)C(OC(C)=O)C2CC1C(C)CCCC1(C)C

Output: [(1S,2S,3R)-2-acetyloxy-5,6-dimethoxy-1-[(2,2,6-trimethylcyclohexyl)methyl]spiro[1,2-dihydroindene-3,2'-bicyclo[3.1.0]hexane]-6'-yl]methyl 2,2-dimethylpropanoate


Output: 3,3-dimethyl-2,8-dioxo-1-oxaspiro[4.5]dec-6-ene-7-carbonitrile


Input: N=C(N)C1=CSC(NC(=O)C2CC3(CN2C(=O)CNC(=O)C2=CC=C(OC4=CC=CC=C4)C=C2)OCCO3)=C1

Output: (8S)-N-(4-carbamimidoylthiophen-2-yl)-7-[2-[(4-phenoxybenzoyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide


Input: C=C(C#N)CNC1=C(OC)C=CC2=CC=C(C3=CC=C(F)C(C=O)=N3)C=C12

Output: 2-[[[7-(5-fluoro-6-formylpyridin-2-yl)-2-methoxynaphthalen-1-yl]amino]methyl]prop-2-enenitrile


Output: 1,1,1-trifluoro-3-(methylamino)-4-phenylbutan-2-one


Input: N#CC1=CC=C(NC(=O)C2=C3NC3=NCC3=CC=C(C4=CN=CC(CN5CCC(F)(F)C5)=C4)C=C23)C=N1

Output: N-(6-cyanopyridin-3-yl)-11-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-4,6-diazatricyclo[6.4.0.03,5]dodeca-1(8),2,5,9,11-pentaene-2-carboxamide


Input: CCC(C)OC1=CC=C(N2C=NC(C(=O)O)=C2)C=C1C#N

Output: 1-(4-butan-2-yloxy-3-cyanophenyl)imidazole-4-carboxylic acid


Input: CC1=CC2C(O)C(C)=C(C)C3C(CC(C)C)NC(=O)C23C(=O)CC(O)C(O)CCC1

Output: (1R,4R,5R,9Z,11R,12S,15R,16S)-4,5,12-trihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,13-diene-2,18-dione


Input: COC1=CC(OC)=C2C(=O)C3(OC2=C1Cl)C(=O)C=C(N1CCN(C2=NC=CC=C2C#N)CC1)CC3C

Output: 2-[4-(7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl)piperazin-1-yl]pyridine-3-carbonitrile


Output: [(1S,2S,5S,7R,8R)-2,6,6-trimethyl-7-tricyclo[6.2.1.01,5]undecanyl]methanol


Input: CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C23C(O)OC4(CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C


Input: CC=C(C)C(=O)OC1C2(C)CC3(O)C1(OC(C)=O)C1OC4(C(C)CC)OC15C1=CC(=O)OC(C6=COC=C6)C1(C)CCC5(O4)C3(C)C2CC(=O)OC


Input: CN1C=C(C2=NC(C)(C(=O)NC(C(=O)NC(C)(CO)C(=O)O)C3CCCN3)CO2)C2=C(O)C=C(Cl)C=C21

Output: 2-[[2-[[2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-2-pyrrolidin-2-ylacetyl]amino]-3-hydroxy-2-methylpropanoic acid


Output: 4,5-dichloro-N,N-dihydroxy-1H-pyrrol-3-amine


Input: CC(=O)OCCC(=O)C1C2CCC(C)C(O)C2C(Cl)C(O)C1(C)O

Output: [3-(4-chloro-2,3,5-trihydroxy-2,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl)-3-oxopropyl] acetate


Input: CC(C)CC1CCC2(C1)CC1C(C3CCC(N)NC3)C3CCCC4CCC5C(C43)C1C(C2)C12CC3(N)C(CO)CCC(C3C(C)(C)O1)C52

Output: [23-amino-28-(6-aminopiperidin-3-yl)-25,25-dimethyl-3'-(2-methylpropyl)spiro[26-oxaoctacyclo[21.3.1.16,10.01,18.02,7.08,17.09,14.019,24]octacosane-4,1'-cyclopentane]-22-yl]methanol


Input: CCC1C#CCC(C(O)CCC2=CC=C(O)C(OC3C(O)C(O)CCC3C(CC3=CC=CN3)C3=CCNC(N)=C3)=C2)C(OCCO)CCCC1

Output: 4-[1-(6-amino-1,2-dihydropyridin-4-yl)-2-(1H-pyrrol-2-yl)ethyl]-3-[5-[3-[5-ethyl-10-(2-hydroxyethoxy)cyclodec-3-yn-1-yl]-3-hydroxypropyl]-2-hydroxyphenoxy]cyclohexane-1,2-diol


Input: C=C1C(=O)OC2C=C(C)C3(O)CC(O)C(C)(CC(OC(=O)C(C)C)C12)O3

Output: [(1S,2Z,4R,8R,9R,11S,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] 2-methylpropanoate


Input: CC1=CC=CC(C)=C1C1=CC2=NC(=N1)NS(=N)(=O)C1=CC(=CC=C1)C(=O)N1CCNCC(C1)O2

Output: 12-(2,6-dimethylphenyl)-8-imino-8-oxo-15-oxa-8lambda6-thia-1,9,11,18,22-pentazatetracyclo[14.4.1.13,7.110,14]tricosa-3(23),4,6,10,12,14(22)-hexaen-2-one


Input: O=C1NC2(CCC1N1C(=O)C3=C4C1=CC=CC4=C(Br)C=C3)COC2

Output: 7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one


Output: 1-(2-methylpiperidin-1-yl)ethanone;propane


Input: CCOC(=O)CC1=CC=CC=C1OCC1=CC(C2=CC=NC(CNS(=O)C(C)(C)C)=C2)=C2OC(COC3=CC=CC=C3CC(=O)OCC)=CC2=C1

Output: ethyl 2-[2-[[7-[2-[(tert-butylsulfinylamino)methyl]pyridin-4-yl]-2-[[2-(2-ethoxy-2-oxoethyl)phenoxy]methyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate


Input: CC;CC;CC1=CC=C(CC2CCNCC2)C([N-]C2=CC=C(N)C=C2C)=C1;[K+]

Output: potassium;(4-amino-2-methylphenyl)-[5-methyl-2-(piperidin-4-ylmethyl)phenyl]azanide;ethane


Input: CC(C)CC(NC(=O)C1(CC2=CC=CC=C2)CC(CNC(=O)C2CCCC3=CC=CC=C32)=NO1)B(O)O

Output: [(1R)-1-[[5-benzyl-3-[(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)methyl]-4H-1,2-oxazole-5-carbonyl]amino]-3-methylbutyl]boronic acid


Input: OC1(C2=NC=CC=C2C2=CC=C(Cl)C=C2)C2=CC=CC=C2C2=CC=CC=C21

Output: 9-[3-(4-chlorophenyl)pyridin-2-yl]fluoren-9-ol


Input: CC1(C)C2=CC=C(C3=CC=CC(C4=CC=CC=C4)=C3)C=C2C2=CC=C(C3=NC(C4=CC=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=C2C1(C)C

Output: 2-naphthalen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine


Input: CC1=CN=CC(C(CC2=CC=C(Cl)C=C2)C(C)N2C=C(C(F)(F)F)C=CC2OC(C)(C)C)=C1

Output: 3-[1-(4-chlorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-2H-pyridin-1-yl]butan-2-yl]-5-methylpyridine


Input: CCOC(=O)OC(C)OP(=O)(NC(C)C(=O)OC(C)C)OCC1OC(N2C=CC(N)=NC2=O)C(O)C1O

Output: propan-2-yl (2S)-2-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(1-ethoxycarbonyloxyethoxy)phosphoryl]amino]propanoate


Input: CC1(O)C(O)C(CO)OCC1N1C=C(C#N)C2=C(N)N=CN=C21

Output: 4-amino-7-[(4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-4-methyloxan-3-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile


Input: CCC1=CC=C(C2=CSC(NC(=O)CC3=CC=CC(OCCCN4CCCCC4)=C3)=N2)C=C1

Output: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[3-(3-piperidin-1-ylpropoxy)phenyl]acetamide


Output: (3Z)-3,7-dimethyl-11-phenyl-2,7-dihydro-1-benzoxonine


Input: CCC(C)C(C(CC(C)=O)OC)N(C)C(=O)C(CC(=O)C(C(C)C)N(C)C(=O)CCOCCCP(=O)(NNC(=O)C=CC(=O)O)NNC(=O)C=CC(=O)O)C(C)C


Input: CC(C)(C(C(=O)ON1C(=O)CCC1=O)S(=O)(=O)O)C(C)(C)N1C(=O)C=CC1=O

Output: 1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-3,3,4-trimethyl-1-oxopentane-2-sulfonic acid


Output: 4-(disulfanylmethyl)thieno[2,3-c][1,2]thiazole


Input: NC1=CC=NC(CN(CC2=CC=CC=N2)CC(O)CN(CC2=CC=CC=N2)CC2C=CC=CN2)=C1

Output: 1-[(4-aminopyridin-2-yl)methyl-(pyridin-2-ylmethyl)amino]-3-[1,2-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ol


Input: COC1=CC=C(C2C=NC(NC3=CC=CC(C(=O)N4CCN(CC(=O)N(C)C)CC4)=C3)=NC2)C=C1

Output: 2-[4-[3-[[5-(4-methoxyphenyl)-4,5-dihydropyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-N,N-dimethylacetamide


Input: C=C(C)C1CCC2(CNC3(CN(CC)CC)CC3)CCC3C(CCC4C3(C)CCC3C(C)(C)C(C5=CC=C(C(=O)O)C=C5C(C)C)=CCC34C)C12


Input: CCC(C)(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C;CCC(C)C1=CC=C(C(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1;CCOCCOCCOC(=O)C(C)CC;[K+]

Output: potassium;(4-butan-2-ylbenzoyl)-(trifluoromethylsulfonyl)azanide;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate


Output: (4S)-2,4-dimethyl-2-azabicyclo[2.2.0]hex-5-ene


Input: CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1C=N;COC1=CC=CC(C(CCO)NC(=O)C2=CC=CC(Br)=C2)=C1;COC1=CC=CC(C(CCO)NC(=O)C2=CC=CC(C3=CC=C4NN=CC4=C3)=C2)=C1;COC1=CC=CC(C(N)CCO)=C1;O=C(O)C1=CC=CC(Br)=C1


Input: NNCCCCNO


Output: 3-(6-iodo-5-oxatricyclo[4.2.0.01,3]octan-3-yl)propanal


Input: CC(=O)NC=CC1CC(N2C=C(C3=CC=CC(OCC4=CC=CC=C4)=C3)C3=C(N)N=CN=C32)C1

Output: N-[(E)-2-[3-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]ethenyl]acetamide


Input: CC1=NOC(C2CCCN2C(=O)C2=CC3=C(S2)C2(CCNCC2)OCC3)=C1;Cl

Output: [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone;hydrochloride


Input: CCCCCCCCC=CCCCCCCCC(=O)OC(CCCCCC)CCCCCC(=O)NC(CCCN)C(=O)O

Output: 5-amino-2-[7-[(Z)-octadec-9-enoyl]oxytridecanoylamino]pentanoic acid


Input: CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC=CCC=CCC=CCCCCCCC

Output: [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (16Z,19Z,22Z)-triaconta-16,19,22-trienoate


Input: CCCCCCCCCCCC=CCCCCCCCC(=O)OC(CCCCCCCCCCCC)CC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCC

Output: [1-(1,3-dihydroxyhenicosan-2-ylamino)-1-oxopentadecan-3-yl] (E)-henicos-9-enoate


Input: CCCCCCCC=CCC=CCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCC

Output: (19Z,22Z)-N-(1,3-dihydroxyicosan-2-yl)triaconta-19,22-dienamide


Input: CCC=CCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Output: [3-icosanoyloxy-2-[(20Z,23Z,26Z,29Z,32Z,35Z)-octatriaconta-20,23,26,29,32,35-hexaenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate


Input: CCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COC(OCC[N+](C)(C)C)C(=O)O

Output: 2-[carboxy-[2-[(29Z,32Z,35Z,38Z,41Z)-tetratetraconta-29,32,35,38,41-pentaenoyl]oxy-3-[(19Z,22Z)-triaconta-19,22-dienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium


Input: CCC=CCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC[N+](C)(C)C

Output: 2-[hydroxy-[2-[(22Z,25Z,28Z,31Z,34Z,37Z)-tetraconta-22,25,28,31,34,37-hexaenoyl]oxy-3-[(32Z,35Z,38Z,41Z)-tetratetraconta-32,35,38,41-tetraenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium


Input: CCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCC

Output: [2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-[(Z)-tridec-9-enoyl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate


Input: CCCCCCCCCC=CCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCC(=O)NCC(=O)O

Output: 2-[8-[(Z)-henicos-11-enoyl]oxytetradecanoylamino]acetic acid


Input: CCC=CCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCC=CCC

Output: [2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-tridecanoyloxypropyl] (20Z,23Z,26Z,29Z,32Z,35Z)-octatriaconta-20,23,26,29,32,35-hexaenoate


Input: CCCCCCC=CCC=CCCCCCCCC(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCCCCCCCCCCCCCCCCC

Output: (9Z,12Z)-N-[(4E,8E)-1,3-dihydroxytritriaconta-4,8-dien-2-yl]nonadeca-9,12-dienamide


Input: CC1=CC=C(OC2=CC=C(C(=O)NC3=NC4=CC=C(F)C=C4N3)C=C2)N=N1

Output: N-(6-fluoro-1H-benzimidazol-2-yl)-4-(6-methylpyridazin-3-yl)oxybenzamide


Input: C#CCN1C=NC2=C(C3=NC4=C(Cl)C=C(OC)C=C4S3)C=C(C)C=C2C1=O

Output: 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-6-methyl-3-prop-2-ynylquinazolin-4-one


Input: NCC1CCN(CC2=CC(=O)NC(C3=CN=CC=N3)=N2)CC1

Output: 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyrazin-2-yl-1H-pyrimidin-6-one


Input: OC1=CC=C2C=C1CCC1=CC3=C(C=C1CCCN(CC1=NC4=CC=CC=C4N1)CC2)OCO3

Output: 16-(1H-benzimidazol-2-ylmethyl)-7,9-dioxa-16-azatetracyclo[17.3.1.04,12.06,10]tricosa-1(22),4,6(10),11,19(23),20-hexaen-22-ol


Input: [C-]1=C(OC2=[C-]C3=C(C=C2)C2=CC=CC=C2N2C=C(C4=CC=CC=C4)N=C32)C=CC2=C1C1=NC=CN1C1=CC=CC=C21;[Pd+2]

Output: 11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-2-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;palladium(2+)


Input: S=C1C2=CC=CC=C2N2C3=CC=C(C4=CC5=C6C(=C4)C(=S)C4=CC=CC=C4N6C4=CC=CC=C4C5=S)C=C3C(=S)C3=C2C1=CC=C3


Input: CC1=NC(N2CCC(N3CC4=CC=CC=C4CC3=O)C2)=NC2=CC=C(C3=CC=CC4=C3OCCO4)C=C12

Output: 2-[(3S)-1-[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylquinazolin-2-yl]pyrrolidin-3-yl]-1,4-dihydroisoquinolin-3-one


Input: C1=CC=C2C=C(C3=CC=C4C(=C3)C3=CC(C5=CC=C6C=CC=CC6=C5)=CC=C3N4C3=CC=CC4=CC=CC=C34)C=CC2=C1

Output: 9-naphthalen-1-yl-3,6-dinaphthalen-2-ylcarbazole


Input: COC1=CN=C2NC=C(C(=O)C3=CC=C(OC4=CC=CC=C4F)C=C3F)C2=C1NC12COC(CO)C1C2

Output: [2-fluoro-4-(2-fluorophenoxy)phenyl]-[4-[[(1R,4S)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-1-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone


Input: CCCCC1=NC2=C(N)N=NC(OC(C)C)=C2N1CCCCN(C(C)=O)C1CS(=O)(=O)C1

Output: N-[4-(7-amino-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-3-yl)butyl]-N-(1,1-dioxothietan-3-yl)acetamide


Input: NC1=CC=C2NC(C(F)(F)F)=NC2=C1C(=O)NC1CCC(=O)NC1=O

Output: 5-amino-N-(2,6-dioxopiperidin-3-yl)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide


Input: C1=CC=C(C2=NC(C3=CC4=C(C=C3)C3=CC=CC=C3O4)=NC(N3C4=CC=C(C5=CC=C6C(=C5)C5=CC=CC=C5C65C6CC7CC(C6)CC5C7)C=C4C4=CC=C5C=CC=CC5=C43)=N2)C=C1

Output: 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole


Input: O=S(=O)([O-])CCSSCCS(=O)(=O)O;[Na+];[Na+]

Output: disodium;2-(2-sulfoethyldisulfanyl)ethanesulfonate


Input: CC1(C)C2=CC=CC=C2C2=CC=C(N(C3=CC=CC4C=CC=CC34)C3=CC=C4C(=C3)OC3=CC=C5OC6=C(C=CC7=C6C6=CC=C(N(C8=CC=C9C%10=CC=CC=C%10C(C)(C)C9=C8)C8=CC=CC9=CC=CC=C89)C=C6O7)C5=C34)C=C21


Input: C;C;CNC(COP(=O)([O-])O)COP(=O)([O-])OCCOP(C)(=O)[O-]

Output: 2-[[3-[hydroxy(oxido)phosphoryl]oxy-2-(methylamino)propoxy]-oxidophosphoryl]oxyethoxy-methylphosphinate;methane


Input: C;CC(C)(C)OC(=O)NC1CN(C2=CC=NC(CC(=O)NC3=CC=C(C4=CC5=C(C4)N=CN=C5N4CCOCC4)C=C3)=C2)C1;CC(C)(C)OC(=O)NC1CN(C2=CC=NC(CC(=O)O)=C2)C1;NC1=CC=C(C2=CC3=C(C2)N=CN=C3N2CCOCC2)C=C1


Input: C[Al](C)C;[F-];[F-];[F-]

Output: trimethylalumane;trifluoride


Input: CC(OC1=CC(C2=CN(C)N=C2)=CC2=NC=NC(NC3=CC=C4N=CC=CC4=C3F)=C12)C1COCCN1

Output: N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-[(1S)-1-[(3R)-morpholin-3-yl]ethoxy]quinazolin-4-amine


Input: O=C(O)COCCCS(=O)(=O)NC1=CC=CC(C2=CC=C3NN=C(C4=CN=CC(O)=C4)C3=C2)=C1[N+](=O)[O-]

Output: 2-[3-[[3-[3-(5-hydroxypyridin-3-yl)-1H-indazol-5-yl]-2-nitrophenyl]sulfamoyl]propoxy]acetic acid


Input: CCCCCCCC=CCC=CCC=CCCCCCCCCCOCC(COP(=O)(O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCC=CCC=CCCCCCCC

Output: [1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-[(10Z,13Z,16Z)-tetracosa-10,13,16-trienoxy]propan-2-yl] (15Z,18Z)-hexacosa-15,18-dienoate


Output: (5-bromo-2-phenylmethoxyphenyl)-imino-methyl-oxo-lambda6-sulfane


Input: CC(=O)N1CC2CN(C(=O)C3=CC=C(F)C=C3Cl)CC2(CCC2=CC=CC=C2)C1

Output: 1-[(3aS,6aR)-5-(2-chloro-4-fluorobenzoyl)-3a-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]ethanone


Output: N-(4-amino-4-methylcyclohexyl)propanamide


Output: 6-ethyl-7-methyl-2-pentan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one


Input: CC1=C(C(=O)NC(CO)C(=O)O)SC(NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C32)=N1

Output: (2R)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-hydroxypropanoic acid


Output: [(1S,3S)-3-(2,6-difluorophenyl)-2,2-dimethylcyclopropyl]methanamine


Output: 3-(2-propan-2-ylpyrazol-3-yl)propane-1-thiol


Output: 2,2-dimethyl-1-prop-1-en-2-ylcyclopropan-1-amine


Output: 2-(5-chloro-1,3-dimethylpyrazol-4-yl)propan-1-amine


Input: CC(C)(C)OC(=O)NC1CCC(C(=O)ON2C(=O)C3=CC=CC=C3C2=O)C2=CC=CC=C21

Output: (1,3-dioxoisoindol-2-yl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydronaphthalene-1-carboxylate


Input: CN1C=C(Br)N=C1C1(OCC(=O)OC(C)(C)C)CCONC1

Output: tert-butyl 2-[4-(4-bromo-1-methylimidazol-2-yl)oxazinan-4-yl]oxyacetate


Input: [N-]=[N+]=NCC12CC(C(=O)O)(C1)C1(CCNCC1)O2

Output: 1-(azidomethyl)spiro[2-oxabicyclo[2.1.1]hexane-3,4'-piperidine]-4-carboxylic acid


Input: CC1=C(CN=[N+]=[N-])C=C(OS(=O)(=O)F)C(C)=C1S(=O)(=O)Cl

Output: 1-(azidomethyl)-3-chlorosulfonyl-5-fluorosulfonyloxy-2,4-dimethylbenzene


Input: CC1=CC(N2CCCCS2(=O)=O)=CC(C)=C1S(=O)(=O)F

Output: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethylbenzenesulfonyl fluoride


Output: tert-butyl N-(3-bromoisoquinolin-1-yl)carbamate


Output: ethyl 1-amino-2,5-diethyl-4-sulfamoylpyrrole-3-carboxylate


Input: C1CCNC1;CC(C)CCC(CCNC=O)C1=CC(CCC(CCNC=O)OC2=CC(F)=CC(N3CCNCC3)=C2)=CC=C1O;CO;CO

Output: N-[3-[5-[3-(3-fluoro-5-piperazin-1-ylphenoxy)-5-formamidopentyl]-2-hydroxyphenyl]-6-methylheptyl]formamide;methanol;pyrrolidine


Output: tert-butyl 4-amino-3-(2-methoxyethylamino)benzoate;ethane


Input: NC1=NC=C(C2=CC=C(N3CCCC3)C(F)=C2F)C=C1C1=CC=C2C(=O)NCCC2=C1

Output: 6-[2-amino-5-(2,3-difluoro-4-pyrrolidin-1-ylphenyl)pyridin-3-yl]-3,4-dihydro-2H-isoquinolin-1-one


Input: CCOC(=O)C1=C(NC(=O)C(C)SC2=NN=C(COC3=CC=CC=C3C3=CC=CC=C3)N2C2=CC=CC=C2OC)SC2=C1CCN(CC1=CC=CC=C1)C2

Output: ethyl 6-benzyl-2-[2-[[4-(2-methoxyphenyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate


Input: CN(C)CC1=C(C(=O)NCC2=NC3=CC=CC(Cl)=C3N2C)OC2=CC=CC=C12

Output: N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide


Input: CS(=O)(=O)C1=CC=C(C(O)COC2=CC=C3C=CC=NC3=C2)C=C1

Output: 1-(4-methylsulfonylphenyl)-2-quinolin-7-yloxyethanol


Output: 3-hydroxy-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]pyridine-2-carboxamide


Output: 2,2,2-trifluoroethyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate


Input: O=C1CCC(N2CC3=CC(N4C=C(CN5CCN(C6=CC=CC=C6)CC5)N=N4)=CC=C3C2=O)C(=O)N1

Output: 3-[3-oxo-6-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione


Input: CC1CC1C(=O)NC1CCCCC12CCN(C(=O)CCC1=CC=NN1)C2

Output: (1S,2S)-2-methyl-N-[2-[3-(1H-pyrazol-5-yl)propanoyl]-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide


Input: CC(C)(C)OC(=O)C1(N(NC(=O)OCC2=CC=CC=C2)C(=O)OCC2=CC=CC=C2)CC2=C(C=CS2)C1=O

Output: tert-butyl (5S)-4-oxo-5-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]-6H-cyclopenta[b]thiophene-5-carboxylate


Input: CC1=CC=C(C2=CC=C(NS(=O)(=O)C3=CC4=C(C=C3C)NC(=O)C(=O)N4)C=C2)C=C1

Output: 7-methyl-N-[4-(4-methylphenyl)phenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide


Input: COCCCN1C=C(C2=CC=C(C3=CN=C(C(=O)NC4=CC=C(C(=O)N5CCN(C(=O)CCC(O)CN(C)C)CC5)C(Cl)=C4)N3C)C(F)=C2F)C(C)=N1

Output: N-[3-chloro-4-[4-[5-(dimethylamino)-4-hydroxypentanoyl]piperazine-1-carbonyl]phenyl]-5-[2,3-difluoro-4-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide


Input: NC1=CC=CC(N2CCC3=C(SC(C4=CN=C(N5CCCC(F)C5)N=C4)=N3)C2=O)=C1F

Output: 5-(3-amino-2-fluorophenyl)-2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one


Output: (1R,2S)-2-hydroxy-1-methylcyclopentane-1-carboxamide


Input: CC(C)C1=CC=NC(C2=[C-]C=CC3=C2OC2=CC(C4=CC=CC(C5=CC=CC=C5)=C4)=CC=C23)=C1;C[Si](C)(C)C1=CC=C(C2=[C-]C=CC=C2)N=C1;[Ir]

Output: iridium;2-[7-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenylpyridin-3-yl)silane


Input: O=C(C1=CC=CC(Cl)=C1Cl)N1CCC(O)C2(CCCNC2=O)C1;O=CO

Output: (6R,11R)-8-(2,3-dichlorobenzoyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one;formic acid


Output: 1-(4-fluoro-2-iodophenyl)-3-methyl-1,2,4-triazole


Output: (E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide


Input: CN(CC(C)(C)F)C(=O)C1N=C(C2CC3(N(CC4=CC=C(Cl)C(F)=C4)S(=O)(=O)C4=CC=CC=C4)CCC23)NC1(C)C

Output: (4R)-2-[4-[benzenesulfonyl-[(4-chloro-3-fluorophenyl)methyl]amino]-2-bicyclo[2.2.0]hexanyl]-N-(2-fluoro-2-methylpropyl)-N,5,5-trimethyl-1,4-dihydroimidazole-4-carboxamide


Input: COC(=O)CC1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)C34CC3CC(S(=O)(=O)NCC3=CC(C(CC(=O)O)C5=CC(OC)=C6C(=C5)N=NN6C)=CC=C3C)C4)=C2C)N2C=NN=C12


Output: 2-tert-butyl-1-(3-hydroxypyrrolidin-1-yl)-7-methyloctan-1-one


Output: [(E)-4-[[(2S)-3-(3-chlorophenyl)-2-methoxypropanoyl]amino]but-2-enyl]carbamic acid


Input: C=CC=C(C)C1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=C)C)O1

Output: (1S,2S,4R,6S,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-9,13-dimethyl-6-[(2E)-penta-2,4-dien-2-yl]-8-prop-1-en-2-yl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one


Output: 1-fluoro-2-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)benzene


Input: C=COC1=CC(CCCCC)=C(C(=O)OC)C(O)=C1C1C=C(C)CCC1

Output: methyl 4-ethenoxy-2-hydroxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]-6-pentylbenzoate


Input: CC(C1=CC=CO1)P(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1


Input: O=C1CC(NS(=O)(=O)C2CC2)C(C2=CC=C(Cl)S2)N1

Output: N-[(3R)-2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide


Output: 4-(1-azidoethyl)-N-[2-(methylamino)ethyl]benzamide


Input: O=C(OCC1=CC=CC=C1)C1(C(=O)OCC2=CC=CC=C2)C2=C(SC(C=C3C(=S)C4=CC=CC=C4C3=S)=C2)C2=C1C1=C(S2)C2=C(C=C(C=C3C(=S)C4=CC=CC=C4C3S)S2)S1


Input: CC(CO)NCC1=CC(Cl)=C(CNC2=CC=CC(C3=CC=CC(C4=CC=C(CN(C)CCO)C=C4)=C3Cl)=C2C=N)C=C1OCC1=CN=CC(C#N)=C1

Output: 5-[[4-chloro-5-[[3-[2-chloro-3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-2-methanimidoylanilino]methyl]-2-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile


Input: C1=CC=C(C2(C3=CC=CC=C3)C3=CC=CC=C3C3=CC=C(N(C4=CC=C(N5C6=CC=CC=C6C6=CC=CC=C65)C=C4)C4=CC=C5C(=C4)OC4=C6C=CC=CC6=CC=C54)C=C32)C=C1

Output: N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-9-amine


Input: O=C(CN1C=NC(C2=CC=CC=C2)=C1C1=CC=NC=C1)N1CCNCC1

Output: 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone


Input: O=C(CN1C=CN=C1)N1C2CCC1CN(C1=NC(OCC34CCCN3CCC4)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=CC=C13)C2

Output: 1-[(1R,5S)-3-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-imidazol-1-ylethanone


Input: COC1=CC(C(=O)O)=C(F)C=C1NSC1=CSC(C2=CC=C(C3=CC(F)=C(C(F)(F)F)C(F)=C3)C(O)=C2F)=N1

Output: 4-[[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2-fluoro-3-hydroxyphenyl]-1,3-thiazol-4-yl]sulfanylamino]-2-fluoro-5-methoxybenzoic acid


Input: CC1CN(C2=CC=C(C(=O)NC3=CC(F)=C4N=CC=CC4=C3)C3=NC=CN=C23)CC(C)N1

Output: 8-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoroquinolin-6-yl)quinoxaline-5-carboxamide


Input: NC(=CC=S)C1=CNC2=NC=CC(N3CCCC4(CCCCN4)C3)=C12

Output: 3-amino-3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enethial


Input: CC(N)COC1=CC=C(C2=CN=C(N)C(C(=O)CC3=CN=CC=C3N3CCOCC3)=N2)C=C1

Output: 1-[3-amino-6-[4-(2-aminopropoxy)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-ylpyridin-3-yl)ethanone


Input: CC1=C(OC2=CC=CC=C2)C=CC(N)=C1N1CCOC(CN(C)C(=O)OC(C)(C)C)C1

Output: tert-butyl N-[[(2S)-4-(6-amino-2-methyl-3-phenoxyphenyl)morpholin-2-yl]methyl]-N-methylcarbamate


Input: COC(=O)CCCCCC1=CC(F)=CC(OCC(C)CCC(N)=O)=C1F

Output: methyl 6-[3-[(2S)-5-amino-2-methyl-5-oxopentoxy]-2,5-difluorophenyl]hexanoate


Input: CCCC1CC2CCC1N2C1=NC2=C(C(Br)=NN2C2CCCCO2)C(=O)N1C;CN1C(N2C3CCC2C(NC(=O)OC(C)(C)C)C3)=NC2=C(C(Br)=NN2C2CCCCO2)C1=O


Output: potassium;trifluoro-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)boranuide


Output: 4-trimethylsilyloxy-2,3-dihydro-1H-inden-1-amine


Output: 6-methyl-5-prop-1-en-2-yl-1H-benzimidazol-2-amine


Input: COCCN1CC(=O)N(C2CC(=O)N(C3=CC=CC(OC)=C3)C2)C1=O

Output: 1-(2-methoxyethyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]imidazolidine-2,4-dione


Input: CCOC(=O)C1CCN(S(=O)(=O)C2=CN=C3C=CC=CC3=C2)C2=CC=CC=C21

Output: ethyl 1-quinolin-3-ylsulfonyl-3,4-dihydro-2H-quinoline-4-carboxylate


Input: COC1CCN(S(=O)(=O)NC(C(=O)O)C2=CC=C(F)C=C2)CC1

Output: (2S)-2-(4-fluorophenyl)-2-[(4-methoxypiperidin-1-yl)sulfonylamino]acetic acid


Input: CCC1=NC=CN1CC1CCCN1C(=O)C1=CC2=CC=CN2C=N1

Output: [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone


Input: CC(=O)OC1CC(COC(=O)C2=CC=CC=C2)OC1N1CC(C)C(=O)NC1=O

Output: [(2S,4R,5R)-4-acetyloxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl benzoate


Input: CC1=CN=C(N2CC3CN(S(C)(=O)=O)C(C4=CC=CC=C4)C3C2)N=C1N(C)C

Output: 2-[(3aS,4R,6aR)-5-methylsulfonyl-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N,N,5-trimethylpyrimidin-4-amine


Input: COC1=CC=CC2=C1C=C(C(=O)NC(CC1CC1)C(=O)NC(C#N)CC1C(=O)NC3=CC=CC(C)=C31)N2

Output: N-[1-[[(1S)-1-cyano-2-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide


Input: CC1=CC=CC2=C(C3=[C-]C(OC4=[C-]C(C5=NC6=CC=CC=C6[Se]5)=CC=C4)=CC=C3)N=CN=C12;[Pt+2]

Output: 2-[3-[3-(8-methylquinazolin-4-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzoselenazole;platinum(2+)


Input: CCC(=O)C(C)C=C(C)C1C(C)=CC(C)=CC1(C)C1OC(OC)C(C)C(=O)C1C

Output: 2-methoxy-3,5-dimethyl-6-[1,3,5-trimethyl-6-[(E)-4-methyl-5-oxohept-2-en-2-yl]cyclohexa-2,4-dien-1-yl]oxan-4-one


Input: CSC1=NC2=C(F)C(Br)=C(C)C=C2C(NC2CCN(C(=O)OC(C)(C)C)C2)=C1C=O

Output: tert-butyl 3-[(7-bromo-8-fluoro-3-formyl-6-methyl-2-methylsulfanylquinolin-4-yl)amino]pyrrolidine-1-carboxylate


Input: C=C1N(C)C2=CN=C(NC3=CN4N=CN=C4C=C3Cl)N=C2N1C12CC3CC(CC(CO)(C3)C1)C2

Output: [3-[2-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7-methyl-8-methylidenepurin-9-yl]-1-adamantyl]methanol


Input: CCOC(=O)CCN1C=CC=[N+]1CC(=O)CC1=C(C)C=CC=C1C;[O-][OH+][CH-]C(F)(F)F

Output: ethyl 3-[2-[3-(2,6-dimethylphenyl)-2-oxopropyl]pyrazol-2-ium-1-yl]propanoate;oxido(2,2,2-trifluoroethyl)oxidanium


Input: CCOC(=O)C1=NC(C2=CC=C(Cl)C(C(F)(F)F)=C2)=NO1

Output: ethyl 3-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate


Output: methyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-4,5-dimethylthiophene-3-carboxylate


Output: 1-(diaminomethylidene)-2-(3-piperidin-4-ylphenyl)guanidine