Input: N-[11-(3,9-dihydroxy-11,17-dimethoxy-4,4-dimethyl-7-oxo-6,20-dioxa-21-azabicyclo[16.2.1]henicosa-1(21),12,14,18-tetraen-5-yl)-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-enyl]-N-methylformamide

Output: COC1C=CC=CCC(OC)C2=COC(=N2)CC(O)C(C)(C)C(CC(OC)C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC(=O)CC(O)C1


Input: N-[5-(dimethylamino)pentyl]acridine-4-carboxamide

Output: CN(C)CCCCCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C12


Input: (6-propan-2-ylpyridin-2-yl)methyl N-[(2S)-1-[[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-(pyridin-3-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Output: CC(C)C1=CC=CC(COC(=O)NC(C(=O)NC(CC2=CC=CC=C2)CC(O)C(CC2=CC=CC=C2)NC(=O)OCC2=CC=CN=C2)C(C)C)=N1


Input: ethenyl-dimethyl-(2-methylpropoxy)silane

Output: C=C[Si](C)(C)OCC(C)C


Input: 3-phenyl-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one

Output: O=C1C2=CC=CC=C2NC(C2=CC=CC(C(F)(F)F)=C2)N1C1=CC=CC=C1


Input: N-(4-ethylphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide

Output: C=CCC1=CC=CC2=C1OC(=O)C(C(=O)NC1=CC=C(CC)C=C1)=C2


Input: [4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl] acetate

Output: CC(=O)OC1=CC=C(C(=O)NC2=NN=C(CC(C)C)S2)C=C1


Input: 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide


Input: 1-[2-(2,4-dichlorophenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone


Input: 2-(4-methylphenyl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Output: CC1=CC=C(SCC(=O)N2CCN(C3=CC=CC=N3)CC2)C=C1


Input: 1-[1-methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]butan-1-one

Output: CCCC(=O)C1=CN(C)C(C2=NC3=CC=CC=C3N2C)=C1


Input: N-[(1S)-2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethyl]naphthalene-1-carboxamide

Output: CC1=C(NC(NC(=O)C2=CC=CC3=CC=CC=C23)C(Cl)(Cl)Cl)C(=O)N(C2=CC=CC=C2)N1C


Input: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide

Output: COC1=CC(C(=O)NC2=CC=CC=C2C2=NC3=CC=CC=C3S2)=CC(OC)=C1OC


Input: (8R)-8-(4-bromophenyl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione

Output: CC1(C)C(=O)C2(CCCC2)C(=O)OC1C1=CC=C(Br)C=C1


Input: methyl 5-acetyl-2-[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]-4-methylthiophene-3-carboxylate

Output: COC(=O)C1=C(NC(=O)C(C)OC2=CC=CC(C)=C2C)SC(C(C)=O)=C1C


Input: (15S,19R)-17-(2-methoxyphenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Output: COC1=CC=CC=C1N1C(=O)C2C(C1=O)C1(C)C3=CC=CC=C3C2(C)C2=CC=CC=C21


Input: (E)-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]prop-2-enenitrile

Output: COC1=CC=CC(C2=CSC(C(C#N)=CNC3=CC=C4C(C(F)(F)F)=CC(=O)OC4=C3)=N2)=C1


Input: N-[2-(diethylamino)ethylcarbamoyl]benzamide


Input: butyl [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] carbonate

Output: CCCCOC(=O)OC1=CC=C2C(=O)C(OC3=CC=CC(C)=C3)=C(C(F)(F)F)OC2=C1


Input: (E)-3-(4-butoxyphenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide

Output: CCCCOC1=CC=C(C=CC(=O)NC2=NC(C3=CC=C(Cl)C=C3Cl)=CS2)C=C1


Input: ethyl 4-(4-bromophenyl)-2-[[(E)-3-(2-butoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Output: CCCCOC1=CC=CC=C1C=CC(=O)NC1=C(C(=O)OCC)C(C2=CC=C(Br)C=C2)=CS1


Input: (4R)-2-amino-4-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

Output: COC1=CC=C(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)C=C1COC1=C(F)C(F)=C(F)C(F)=C1F


Input: methyl (2R)-2-[[(13R)-13-tert-butyl-7-(2-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]propanoate

Output: COC(=O)C(C)SC1=NN=C2N(C3=CC=CC=C3C)C(=O)C3=C(SC4=C3CCC(C(C)(C)C)C4)N12


Input: 2-ethyl-1-[2-(2-hydroxyethoxy)ethylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Output: CCC1=C(C)C(C#N)=C2NC3=CC=CC=C3[N+]2=C1NCCOCCO


Input: (5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione

Output: CCCCN1CCC2=CC(C=C3C(=O)NC(=S)N(C4=CC=CC5=CC=CC=C45)C3=O)=CC=C21


Input: methyl 3-[[2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-6-methoxy-1H-indole-2-carboxylate

Output: COC(=O)C1=C(NC(=O)CN2C3=CC=C(F)C=C3CCC2C)C2=CC=C(OC)C=C2N1


Input: 2-(3-bromophenyl)quinoline-4-carbonyl isothiocyanate

Output: O=C(N=C=S)C1=CC(C2=CC=CC(Br)=C2)=NC2=CC=CC=C12


Input: (Z)-N-(4-phenylbutyl)-3-thiophen-2-ylprop-2-enamide


Input: (2S)-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]butan-2-amine


Input: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-phenylacetamide

Output: CC(=O)N1CCN(C2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)CC1


Input: [(2R)-pentan-2-yl] 2-[3-[(2S)-pentan-2-yl]oxycarbonylquinolin-2-yl]quinoline-3-carboxylate

Output: CCCC(C)OC(=O)C1=CC2=CC=CC=C2N=C1C1=NC2=CC=CC=C2C=C1C(=O)OC(C)CCC


Input: [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-bromofuran-2-carboxylate

Output: O=C(COC(=O)C1=CC=C(Br)O1)NC1=C(Cl)C=C(Cl)C=C1Cl


Input: [2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Output: CC(C)N(C1=CC=CC=C1)C1=CC=C(NC(=O)COC(=O)C2=CC=C(C3=NC4=CC=CC=C4S3)S2)C=C1


Input: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Output: CC(C)C1=CC=C(NC2=NN=C(SC(C(=O)C3=CNC4=CC=CC=C34)C3=CC=CC=C3)S2)C=C1


Input: N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Output: CC1=C(C(=O)N=C(N)C2=CC=C(C(F)(F)F)C=C2)C(C2=CC=CC=C2)=NO1


Input: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-naphthalen-1-ylmethyl]-1,2-dihydropyrazol-3-one

Output: CC1=C(C(C2=C(C)NNC2=O)C2=CC=CC3=CC=CC=C23)C(=O)NN1


Input: 1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]butan-1-one

Output: CCCC(=O)N1CCN(C2=CC=C([N+](=O)[O-])C(N3CCCCC3)=C2)CC1


Input: N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

Output: CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CC2=CC=CC=C2)CC1


Input: 1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione

Output: CC1=CC(C(O)=C2C(=O)C(=O)N(CCCN(C)C)C2C2=CC=C(O)C=C2)=CC=C1OC(C)C


Input: N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide

Output: O=C(NCCC1=CCCCC1)C(=O)NC1=CC=C2OCCOC2=C1


Input: ethyl 4-(2,4-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Output: CCOC(=O)C1=C(C2=CC=CC=C2)NC(=S)NC1C1=CC=C(OC)C=C1OC


Input: propan-2-yl 4-ethyl-5-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate

Output: CCC1=C(C)SC(NC(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1C(=O)OC(C)C


Input: 2-(3-ethoxy-4-hydroxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazinan-4-one


Input: 10-(4-methoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione

Output: COC1=CC=C(C2C3=C(CCCC3=O)NC3=C2C(=O)C2=CC=CC=C32)C=C1


Input: N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(furan-2-carbonyl)-4-[(1-methylimidazol-4-yl)sulfonylamino]piperidine-2-carboxamide

Output: CC(C)CC(NC(=O)C1CC(NS(=O)(=O)C2=CN(C)C=N2)CCN1C(=O)C1=CC=CO1)C(N)=O


Input: [3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] benzoate

Output: O=C(OC1=CC=C2C(=O)C(=CC3=CC=C(C4=CC=CC=C4)C=C3)OC2=C1)C1=CC=CC=C1


Input: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Output: COCCN1C(SCC(=O)C2=C(C)C(C(C)=O)=C(C)N2)=NN=C1C1=CC=C(Cl)C=C1


Input: tert-butyl 2-[5-[(4-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Output: CCOC1=CC=C(C=C2SC(=O)N(CC(=O)OC(C)(C)C)C2=O)C=C1


Input: 1-[(2,3-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperazine

Output: COC1=CC=CC(C(C2=C(C)C=CS2)N2CCNCC2)=C1OC


Input: 2-(3-chlorophenyl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide

Output: O=C(NC1CCCC2=CC=CC=C21)C1=CC(SC2=CC=CC(Cl)=C2)=NC2=CC=CC=C12


Input: 3-chloro-N-[2-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide

Output: COC1=CC=CC(C=NNC(=O)CNC(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1


Input: 2-hydroxy-4-[6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]benzoic acid

Output: COC1=CC(C=CC2C3=CCC4C(=O)N(C5=CC=C(C(=O)O)C(O)=C5)C(=O)C4C3CC3C(=O)C(C4=CC=CC=C4)=CC(=O)C23C2=CC=CC=C2)=CC=C1O


Input: 8-(bromomethyl)-6a,9a-dichloro-2-[[3-chloro-6-(trifluoromethyl)pyridin-2-yl]-methylamino]-6-[5-(hydroxymethyl)furan-2-yl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone

Output: CN(C1=NC(C(F)(F)F)=CC=C1Cl)N1C(=O)C2CC=C3C(CC4(Cl)C(=O)N(CBr)C(=O)C4(Cl)C3C3=CC=C(CO)O3)C2C1=O


Input: ethyl 2-[(4-bromo-5-iodofuran-2-yl)methylidene]-3-oxo-7-phenyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Output: CCOC(=O)C1=C(C2=CC=CC=C2)N=C2SC(=CC3=CC(Br)=C(I)O3)C(=O)N2C1C1=CC=C(C(C)C)C=C1


Input: 3-benzyl-4-oxo-N-(4-propoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide

Output: CCCOC1=CC=C(NC(=O)C2CC(=O)N(CC3=CC=CC=C3)C(=NC3=CC=C(C(F)(F)F)C=C3)S2)C=C1


Input: [ethylsulfanyl-(prop-2-enylamino)methylidene]-[2-[ethylsulfanyl-(prop-2-enylamino)methylidene]azaniumylethyl]azanium

Output: C=CCNC(=[NH+]CC[NH+]=C(NCC=C)SCC)SCC


Input: 6-bromo-N-(1,1-dimethoxypropan-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Output: CCOC1=CC=CC(C2=CC(C(=O)NC(C)C(OC)OC)=C3C=C(Br)C=CC3=N2)=C1


Input: 4-chloro-N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide

Output: CC1=CC=C(N2C(SCC3=CC=CC(C)=C3)=NN=C2C(C)NS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1


Input: 3-ethoxycarbonyl-1,2-dimethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]indol-5-olate

Output: CCOC(=O)C1=C(C)N(C)C2=CC=C([O-])C(C[NH+]3CCC(C)CC3)=C12


Input: [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-fluorophenyl)methanone

Output: O=C(C1=CC=CC(F)=C1)N1NC(C(F)F)=CC1(O)C(F)F


Input: N-[4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]-3-methylbutanamide

Output: CC(C)CC(=O)NC1=CC=C(C(=O)CN2C(=O)NC(C)(C3=CC=C4OCCOC4=C3)C2=O)C=C1


Input: 2-(4-bromophenyl)-4-[(2-bromophenyl)iminomethyl]-1,3-oxazol-5-ol

Output: OC1=C(C=NC2=CC=CC=C2Br)N=C(C2=CC=C(Br)C=C2)O1


Input: 1-[2-(diethylamino)ethyl]-2-(2,4-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one

Output: CCN(CC)CCN1C(=O)C(O)=C(C(=O)C2=C(C)N=C(C)S2)C1C1=CC=C(OC)C=C1OC


Input: (E)-N-(2-methylbenzimidazol-1-yl)-1-phenylmethanimine


Input: N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide

Output: CC1=CC=C(OCC(=O)NN=CC2=CC=C(C3=CC=C(Br)C=C3)O2)C=C1


Input: 6-bromo-3-(2-methoxyphenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-one

Output: COC1=CC=C(C=CC2=NC3=CC=C(Br)C=C3C(=O)N2C2=CC=CC=C2OC)C=C1


Input: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(9-ethylcarbazol-3-yl)amino]prop-2-enenitrile

Output: CCN1C2=CC=CC=C2C2=CC(NC=C(C#N)C3=NC(C4=CC=C5OCOC5=C4)=CS3)=CC=C21


Input: (5Z)-5-[(4-chlorophenyl)methylidene]-3-(6-oxo-6-pyrrolidin-1-ylhexyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Output: O=C(CCCCCN1C(=O)C(=CC2=CC=C(Cl)C=C2)SC1=S)N1CCCC1


Input: (5Z)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-1,3-thiazolidine-2,4-dione

Output: CC1=CC=C(SC2=CC=C(C=C3SC(=O)N(CC4=CC5=C(C=C4Cl)OCO5)C3=O)C=C2[N+](=O)[O-])C=C1


Input: 5-chloro-1,3,4,8-tetrazatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene


Input: (NE)-N-[2-(4-chlorophenyl)chromen-4-ylidene]hydroxylamine


Input: 4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Output: O=C1C2C3C=CC(C3)C2C(=O)N1C1=CC=C(S(=O)(=O)NC2=NC=CS2)C=C1


Input: cyclohexyl (4R,7S)-4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Output: COC1=CC=C(C2CC(=O)C3=C(C2)N=C(C)C(C(=O)OC2CCCCC2)C3C2=CC3=C(C=C2Br)OCO3)C=C1


Input: 4-(12-piperazin-4-ium-1-yl-10-thia-8,15-diaza-13-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaen-7-yl)morpholine

Output: C1=NC2=C(SC3=NC(N4CCOCC4)=C4CCCC4=C32)C(N2CC[NH2+]CC2)=[NH+]1


Input: (3S)-3-[3-(2-amino-2-oxoethoxy)phenyl]-3-azaniumylpropanoate

Output: NC(=O)COC1=CC=CC(C([NH3+])CC(=O)[O-])=C1


Input: (5S)-5-[(4-methylphenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione

Output: CC1=CC=C(CC2SC(=O)N(C3=CC=CC=C3)C2=O)C=C1


Input: methyl 2-[(5E)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Output: COC(=O)CN1C(=O)SC(=CC2=CC=C(C)C=C2)C1=O


Input: 3-[3-[(5R)-3-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]indol-1-yl]propanenitrile

Output: CC1=CC=C(C2=NNC(=O)C(C3=CN(CCC#N)C4=CC=CC=C34)C2)C=C1


Input: N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-2-methylbenzamide

Output: CC1=C(C#N)C(NC(=O)C2=CC=CC=C2C)(C(F)(F)F)C(=O)N1


Input: (5S,10bS)-2-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Output: COC1=CC=CC(C2OC3=CC=CC=C3C3CC(C4=CC=C5OCOC5=C4)=NN32)=C1


Input: methyl 4-[(1S)-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate

Output: COC(=O)C1=CC=C(C2C3=C(OC4=CC=CC=C4C3=O)C(=O)N2C2=NC=CC=N2)C=C1


Input: 2-chloro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide

Output: COC1=CC=C(C2=CC=CC(NS(=O)(=O)C3=CC=CC=C3Cl)=C2)N=N1


Input: N-(5-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

Output: CC1=CC=C(CN2C(=O)C(C(=O)NC3=CC(Cl)=CC=C3C)=CC3=CC=CN=C32)C=C1


Input: (5R)-5-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Output: CC1CCC2=C(C=C(C(=O)NC3CCCC4=CC=CC=C43)S2)C1


Input: [2-(4-ethylphenyl)-2-oxoethyl] 3-(tert-butylsulfamoyl)benzoate

Output: CCC1=CC=C(C(=O)COC(=O)C2=CC=CC(S(=O)(=O)NC(C)(C)C)=C2)C=C1


Input: 1-[[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-3-propan-2-ylurea

Output: COC1=CC=CC(CN(CC2CC(C3=CC=C(Cl)C=C3)=NO2)C(=O)NC(C)C)=C1


Input: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide

Output: COC1=CC=C(C(CNC(=O)CC2=CC=CC=C2)N2CCCCC2)C=C1


Input: (E)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Output: COC1=CC(C=CC(=O)NC2=NC3=C(CC(C)CC3)S2)=CC(OC)=C1OC


Input: 1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(4-ethylphenyl)thiourea

Output: CCC1=CC=C(NC(=S)NCCCC2=NN=C(SC)N2C2CCCC2)C=C1


Input: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate

Output: CC1=CC=C(OCCC(=O)OCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)C=C1


Input: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-hydroxybenzoate

Output: O=C(OCC(=O)N1CCN(C2=CC=CC=C2F)CC1)C1=CC=CC(O)=C1


Input: (2R)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide

Output: CCC1=CC=C(NC(=O)C(C)NC(C)C2=CC=C(F)C=C2F)C=C1


Input: (3R)-3-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide

Output: CC1=NC(C2=CC=C(NC(=O)C3CCCN(C(=O)NC4=CC=CC=C4)C3)C=C2)=CS1


Input: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]propan-1-one

Output: CC(=O)C1=C(C)NC(C(=O)C(C)SCC2=CC=C(Cl)C=C2)=C1C


Input: methyl 1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-4-carboxylate

Output: COC(=O)C1CCN(CC(=O)NCC(=O)NC2=CC=CC(C)=C2C)CC1


Input: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-bromo-4-fluorobenzoate

Output: CC(NC(=O)COC(=O)C1=CC=C(F)C=C1Br)C1=CC=CC=C1


Input: (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-2-methylphenyl)-3-methylpentanamide

Output: CCC(C)C(C(=O)NC1=CC=C(F)C=C1C)N1C(=O)C2=CC=CC=C2C1=O


Input: N-benzyl-2-[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzamide

Output: CC(C)NC(=O)NC(=O)C(C)OC1=CC=CC=C1C(=O)NCC1=CC=CC=C1


Input: 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

Output: CC1=CC(C2=NN=C(CN3CCN(C4=NC=CC=N4)CC3)O2)=C(C)O1


Input: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide

Output: CC1=CC(C)=C(C)C(OCCCNC(=O)CSC2=CC=CC=[N+]2[O-])=C1


Input: N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide


Input: 4-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

Output: CCOC1=CC=C(C=NNC2=CC=C(S(N)(=O)=O)C=C2[N+](=O)[O-])C=C1


Input: (2S,4R)-N-[1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide

Output: COC1=CC2=C(C=C1OC)N(CC1=CC=CC=C1Cl)C(=O)C(NC(=O)C1CC(O)CN1C(=O)C1=CN(C)C3=CC=CC=C13)C2


Input: N-(piperidin-3-ylmethoxy)fluoren-9-imine

Output: C1=CC=C2C(=C1)C(=NOCC1CCCNC1)C1=CC=CC=C12


Input: 3-[2,6-dibromo-4-[2-[[(2E)-3-(3-bromo-4-methoxyphenyl)-2-oxidoiminopropanoyl]amino]ethyl]phenoxy]propyl-dimethylazanium

Output: COC1=CC=C(CC(=N[O-])C(=O)NCCC2=CC(Br)=C(OCCC[NH+](C)C)C(Br)=C2)C=C1Br


Input: 4-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile

Output: N#CC1=CC=C(F)C=C1C1=CC(C2=CN=C3N=C(C(F)(F)F)C=CN23)=CC=C1F


Input: 7-[(7R,8aS)-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

Output: COC1CC2CN(C3=CC4=NC(C5=CC=CC(F)=C5)=NN4C(N)=N3)CCN2C1


Input: (2S,3R,6R,10R,14R)-3,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione

Output: CC1C(O)C=C2C13CC(OC(=O)C3O)C1(O)C(=O)OCC21C


Input: methyl (1S,2S,3S,5R)-8-[(E)-3-iodoprop-2-enyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

Output: COC(=O)C1C(C2=CC=C(C)C=C2)CC2CCC1N2CC=CI


Input: 3-(methoxymethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-b]pyridazine


Output: CC(C)CC(NC(=O)C(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(=O)NC(CC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C)C(C)C)C(C)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1


Input: 8-(hydroxymethyl)-3-methyl-5-propan-2-yl-2-[1,6,7-trihydroxy-8-(hydroxymethyl)-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol

Output: CC1=CC2=C(C(C)C)C(O)=C(O)C(CO)=C2C(O)=C1C1=C(C)C=C2C(C(C)C)=C(O)C(O)=C(CO)C2=C1O


Input: (2S)-4-methyl-2-(methylsulfanylcarbonylamino)pentanoic acid

Output: CSC(=O)NC(CC(C)C)C(=O)O


Input: [(1S,3R)-3-benzyl-3-hydroxy-2,4-dihydro-1H-naphthalen-1-yl]methyl-chloromercury

Output: OC1(CC2=CC=CC=C2)CC2=CC=CC=C2C(C[Hg]Cl)C1


Input: 2-[7-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2,4,8-trioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]acetic acid

Output: CC(C)C(NC(=O)CN1C=CC2=C(NC(=O)N(CC(=O)O)C2=O)C1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F


Output: CC1=CC=C2C=CC=C3C4=CC5=CC=CC=C5N=C4C1=C32


Input: N-(2-chloro-6-ethyl-4-methylpyridin-3-yl)-2-(ethylamino)pyridine-3-carboxamide

Output: CCNC1=NC=CC=C1C(=O)NC1=C(C)C=C(CC)N=C1Cl


Output: CCOC(=O)C(OC1C=C2C3CCC4CC(OC(C)=O)CCC4(C)C3CC(OC(C)=O)C2(C)C1(O[Si](C)(C)C)C(C)=O)P(=O)(OCC)OCC


Input: diethyl 6-ethyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate

Output: CCOC(=O)C1(C(=O)OCC)CC2=C(CC)C(=O)CC2C1


Input: ethyl (2E,4E)-5-fluoro-15,15-dimethyl-14-oxohexadeca-2,4-dienoate

Output: CCOC(=O)C=CC=C(F)CCCCCCCCC(=O)C(C)(C)C


Input: (2S,6R)-6-methoxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran

Output: COC1C=CCC(COC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)O1


Input: 2-[1-(3-hydroxypropyl)pyrrolidin-3-yl]-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one

Output: O=C1NC=C2CCN(C3CCN(CCCO)C3)C3=C2C1=CC=C3


Output: CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(COS(=O)(=O)O)C(OC4OC(CO)C(O)C(OC56CC(O)C(NC5=O)C(C(O)C(O)CO)O6)C4O)C(O)C3NC(C)=O)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCC


Input: 2-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]acetic acid

Output: CC1C=C(CC(=O)O)C(C(C)C)CC1


Input: methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]butanoate

Output: COC(=O)C(NC(=O)C(CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21)C(C)O[Si](C)(C)C(C)(C)C


Input: (13S)-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-carboxamide

Output: COC1=CC2=C(C=C1C(N)=O)CCC1C2CCC2(C)C(=O)CCC12


Input: methyl 2-[4-(2-phenylphenoxy)phenyl]acetate

Output: COC(=O)CC1=CC=C(OC2=CC=CC=C2C2=CC=CC=C2)C=C1


Input: 4-amino-N-[(4-tert-butylphenyl)methyl]-5-cyano-6-ethoxypyridine-2-carboxamide

Output: CCOC1=NC(C(=O)NCC2=CC=C(C(C)(C)C)C=C2)=CC(N)=C1C#N


Input: 5-[[acetyl-(2-hydroxy-2-methylpropoxy)amino]methyl]-2-(4-ethynyl-2-fluoroanilino)-3,4-difluoro-N-(2-hydroxyethoxy)benzamide

Output: C#CC1=CC=C(NC2=C(C(=O)NOCCO)C=C(CN(OCC(C)(C)O)C(C)=O)C(F)=C2F)C(F)=C1


Input: (2S,4S)-1-prop-2-enoxycarbonyl-4-tritylsulfanylpyrrolidine-2-carboxylic acid

Output: C=CCOC(=O)N1CC(SC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)CC1C(=O)O


Input: N-[6-(4,4-difluoropiperidin-1-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide

Output: CS(=O)(=O)NN1C(=O)NC2=CC(C(F)(F)F)=C(N3CCC(F)(F)CC3)C=C2C1=O


Input: 2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2-diethoxyphosphorylacetamide

Output: CCOP(=O)(OCC)C(Cl)(Cl)C(=O)NC1=CC=CC(C2=CC(C3=C(Cl)C=CC=C3Cl)=NO2)=C1


Input: 1-[3-fluoro-5-(2-fluorophenyl)phenyl]piperazine


Input: 3-chloro-5-(4-chlorophenyl)-1,2-thiazole-4-carbonitrile


Input: ethyl 1-[[(3S,3aR,4aS,5R,8aR,9aR)-8a-methyl-2-oxospiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-3-yl]methyl]piperidin-1-ium-4-carboxylate

Output: CCOC(=O)C1CC[NH+](CC2C(=O)OC3CC4(C)CCCC5(CO5)C4CC32)CC1


Input: [(1R,3R,4R,6S)-4-methoxy-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] 3,5-dinitrobenzoate

Output: COC1CC2C(CC1(C)OC(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C2(C)C


Input: (1R,9R,13R)-10-(4-ethoxyphenyl)-9,13-dimethyl-4-nitro-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione

Output: CCOC1=CC=C(N2C(=S)NC3C4=CC([N+](=O)[O-])=CC=C4OC2(C)C3C)C=C1


Input: (5-methoxy-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid

Output: COC1=CC=C(OCP(=O)(O)O)C2=C1CC1=C2N=CS1


Input: 6-(3-benzyl-2-phenylbenzimidazol-5-yl)oxyhexanoic acid

Output: O=C(O)CCCCCOC1=CC=C2N=C(C3=CC=CC=C3)N(CC3=CC=CC=C3)C2=C1


Input: ethyl (2S,3R)-2-(4-methoxyphenyl)-3-triethylsilyl-1,4-oxathiane-3-carboxylate

Output: CCOC(=O)C1([Si](CC)(CC)CC)SCCOC1C1=CC=C(OC)C=C1


Input: N-(dimethylsulfamoyl)-N-trimethylsilylaniline

Output: CN(C)S(=O)(=O)N(C1=CC=CC=C1)[Si](C)(C)C


Input: (4-methylphenyl) decanoate

Output: CCCCCCCCCC(=O)OC1=CC=C(C)C=C1


Input: (Z)-2-(2-amino-1,3-thiazol-4-yl)-3-(furan-2-yl)prop-2-enoic acid

Output: NC1=NC(C(=CC2=CC=CO2)C(=O)O)=CS1


Output: C1=CC=C(C2=COC(C3=CC=CC=C3)=C2C2=CC=CC=N2)C=C1


Input: (8S,9S,10R,13S,14S)-13-ethyl-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Output: C=C1CC2(CC)C(=O)CCC2C2CCC3=CC(=O)CCC3C12


Input: butyl (E)-2,2-dimethyl-4-phenylsulfanylpent-3-enoate

Output: CCCCOC(=O)C(C)(C)C=C(C)SC1=CC=CC=C1


Input: (1-tert-butylpyrazol-4-yl) N-[[(1-tert-butylpyrazol-4-yl)oxycarbonyl-propylamino]disulfanyl]-N-propylcarbamate

Output: CCCN(SSN(CCC)C(=O)OC1=CN(C(C)(C)C)N=C1)C(=O)OC1=CN(C(C)(C)C)N=C1


Input: (7-butoxy-6-methoxy-1-methyl-4-nitroisoquinolin-3-yl) acetate

Output: CCCCOC1=CC2=C(C)N=C(OC(C)=O)C([N+](=O)[O-])=C2C=C1OC


Input: (4S)-4-(2-methylsulfanylethyl)-2-phenyl-4,5-dihydro-1,3-oxazole


Input: 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one

Output: CC(C)(C)C1=CC2=C(OC3(O)C(=O)C4=CC=CC=C4C3=N2)C(C(C)(C)C)=C1


Input: [1-[(pyridine-3-carbonylamino)methyl]cyclohexyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Output: O=C(CCCC1=CC=C(N(CCCl)CCCl)C=C1)OC1(CNC(=O)C2=CC=CN=C2)CCCCC1


Input: [8-methyl-3-[(3-methylsulfanylphenyl)carbamoyl]-2-oxopyrano[2,3-c]pyridin-5-yl]methyl acetate

Output: CSC1=CC=CC(NC(=O)C2=CC3=C(COC(C)=O)C=NC(C)=C3OC2=O)=C1


Input: propan-2-yl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]amino]-5-(trifluoromethyl)benzoate

Output: C#CCOC1=CC=C2N=C(C(=O)NC3=CC(C(=O)OC(C)C)=CC(C(F)(F)F)=C3)N=C(C3=CC=C(C(C)C)C=C3)C2=C1


Input: 2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol


Input: 3-(5-diethoxyphosphorylpent-1-ynyl)-1,10-phenanthroline

Output: CCOP(=O)(CCCC#CC1=CN=C2C(=C1)C=CC1=CC=CN=C12)OCC


Input: 3'-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

Output: COC1=CC=CC(C2=NOC(CN3C(=O)NC4(CCOC5=CC=CC=C54)C3=O)=N2)=C1


Input: [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

Output: CC1=CC(C)=C(C)C(S(=O)(=O)NC(C)C(=O)OCC(=O)NC(C)(C#N)C(C)C)=C1C


Input: 2-[1-(2-fluorophenoxy)ethyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-oxadiazole

Output: CC(OC1=CC=CC=C1F)C1=NN=C(SCC2=CC=CC3=CC=CC=C23)O1


Input: 1-(2,4-dinitrophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Output: O=[N+]([O-])C1=CC=C(N2CCCN(CC3=CC=C(C(F)(F)F)C=C3)CC2)C([N+](=O)[O-])=C1


Input: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

Output: O=C(COC(=O)C1=C2CCCCCC2=NC2=CC=CC=C12)NCC1(N2CCOCC2)CCCCC1


Input: 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide

Output: CC(C)C(=O)NC1=CC=CC(C2CCN(CC3=CC=CC(OC4=CC=CC=C4)=C3)CC2)=C1


Input: N-[(2-chlorophenyl)methyl]-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide

Output: COC1=CC=C(C2=CC(CC(=O)NCC3=CC=CC=C3Cl)=NO2)C=C1OC


Input: 11-(2,5-dioxopyrrolidin-1-yl)-N-[4-(5-methyltriazol-1-yl)phenyl]undecanamide

Output: CC1=CN=NN1C1=CC=C(NC(=O)CCCCCCCCCCN2C(=O)CCC2=O)C=C1


Input: 5-bromo-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-phenylethoxy)benzamide

Output: O=C(NC1=CC=C(S(=O)(=O)N2CCC3=CC=CC=C32)C=C1)C1=CC(Br)=CC=C1OCCC1=CC=CC=C1


Input: 3-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide

Output: COC1=CC=CC=C1CNC(=O)CCSC1=NN=C(C2=CC=C(Br)C=C2)N1N


Input: [2-(2,6-dimethylanilino)-2-oxoethyl] 5-(4-naphthalen-2-yloxyanilino)-5-oxopentanoate

Output: CC1=CC=CC(C)=C1NC(=O)COC(=O)CCCC(=O)NC1=CC=C(OC2=CC=C3C=CC=CC3=C2)C=C1


Input: 2-[3-(2-methylbutanoylamino)phenoxy]acetic acid

Output: CCC(C)C(=O)NC1=CC=CC(OCC(=O)O)=C1


Input: 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

Output: CN(CC1=CC=CC(Cl)=C1Cl)CC1=CC(=O)N(C)C(=O)N1C


Input: 5-tert-butyl-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Output: COC1=CC=CC=C1N1CCN(CN2NC(C(C)(C)C)=NC2=S)CC1


Input: N-benzyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

Output: O=C(CSC1=NN=C(C2=CC=CN=C2)N1C1CC1)NC1=CC=CC=C1C(=O)NCC1=CC=CC=C1


Input: 5-(4,4-difluorobut-3-enylsulfinyl)-3-(4,4-difluorobut-3-enylsulfonyl)-1,2-thiazole-4-carbonitrile

Output: N#CC1=C(S(=O)CCC=C(F)F)SN=C1S(=O)(=O)CCC=C(F)F


Input: [6-sulfanylhexyl(trityl)amino]phosphonous acid

Output: OP(O)N(CCCCCCS)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1


Input: methyl 2-[[2-(2,4-dimethylphenyl)-2-[hexyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetyl]amino]acetate

Output: CCCCCCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C(=O)NCC(=O)OC)C1=CC=C(C)C=C1C


Input: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide

Output: CC1=CC=C(F)C=C1NC(=O)CN(CC1=CC=C2OCOC2=C1)C1CCCC1


Input: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Output: O=C(OCC1=NOC(C2=CC=CS2)=C1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2


Input: (2,6-difluoro-3,5-dimethoxyphenyl)methanol


Input: 5-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid

Output: CC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(N)C(C)O)C(=O)NC(CC(N)=O)C(=O)O


Input: (5Z)-5-[1-(4-bromophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione

Output: COC1=CC=CC(N2C(=O)SC(=C(C)C3=CC=C(Br)C=C3)C2=O)=C1


Input: N-(4-nitrophenyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide

Output: CC12CCC(C(=O)N(CCCC(=O)NC3=CC=C([N+](=O)[O-])C=C3)C1=O)C2(C)C


Input: N'-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpropanehydrazide

Output: CCC(=O)NNS(=O)(=O)C1=CC=C(C2=NC=C(C3=CC=CC=C3)O2)C=C1


Input: N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide

Output: CC1=CC=CC=C1CN1C=CC(NC(=O)C2=NN(CN3N=NC(C4=CC=CC=C4)=N3)C=C2)=N1


Input: N-[3-[1-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide

Output: CCSC1=NSC(NC(=O)C(C)SC2=CC=CC(NC(=O)CC(C)(C)C)=C2)=N1


Input: 1-[1-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

Output: CCN1C=C(NC(=O)C(C)N2C=C(C(=O)O)C=N2)C(C(=O)NCCOC)=N1


Input: (E)-3-(1-ethyl-3-methylpyrazol-4-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one

Output: CCN1C=C(C=CC(=O)C2=CC=C(N3CCOCC3)C=C2)C(C)=N1


Input: N-[[3-(diethylaminomethyl)-4-methoxyphenyl]methyl]-1-ethylpyrazol-4-amine


Input: 4-[4-(5-octylpyrimidin-2-yl)phenoxy]butan-2-yl propanoate

Output: CCCCCCCCC1=CN=C(C2=CC=C(OCCC(C)OC(=O)CC)C=C2)N=C1


Input: N-(5-chloro-6-ethylpyrimidin-4-yl)-N-(8-propan-2-ylsulfanyloctyl)pyrazole-1-carboxamide

Output: CCC1=NC=NC(N(CCCCCCCCSC(C)C)C(=O)N2C=CC=N2)=C1Cl


Input: benzyl 5-[2,5-dihydroxy-4-(2-methyl-6-oxo-6-phenylmethoxyhexan-2-yl)phenyl]-5-methylhexanoate

Output: CC(C)(CCCC(=O)OCC1=CC=CC=C1)C1=CC(O)=C(C(C)(C)CCCC(=O)OCC2=CC=CC=C2)C=C1O


Input: 1,3-dimethyl-6-[3-[3-(4-nitrophenyl)propylamino]propylamino]pyrimidine-2,4-dione

Output: CN1C(NCCCNCCCC2=CC=C([N+](=O)[O-])C=C2)=CC(=O)N(C)C1=O


Input: 1-carbamimidoyl-1-[2,6-dichloro-3,5-bis(phenylmethoxy)phenyl]-3-methylurea

Output: CNC(=O)N(C(=N)N)C1=C(Cl)C(OCC2=CC=CC=C2)=CC(OCC2=CC=CC=C2)=C1Cl


Input: ethyl 3-fluoro-4-[(1Z)-1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate

Output: C=C(C(C)=C(F)C1=CC=C(C(=O)OCC)C=C1F)C1=C(C)CCCC1(C)C


Input: 3-[(1,4,5,6-tetrachloro-7,7-difluoro-2-bicyclo[2.2.1]hept-5-enyl)methoxy]propane-1,2-diol

Output: OCC(O)COCC1CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(F)F


Input: 3-(propylcarbamoylamino)-2,6-disulfamoylbenzenesulfinic acid

Output: CCCNC(=O)NC1=CC=C(S(N)(=O)=O)C(S(=O)O)=C1S(N)(=O)=O


Input: ethyl 4-[[N'-[[3-[(2,3-diphenylpropanoylamino)methyl]cyclohexyl]methyl]carbamimidoyl]carbamoylamino]piperidine-1-carboxylate

Output: CCOC(=O)N1CCC(NC(=O)NC(N)=NCC2CCCC(CNC(=O)C(CC3=CC=CC=C3)C3=CC=CC=C3)C2)CC1


Input: (5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole

Output: C1=CC(C2=CC=CS2)=NC1=CC1=CC=C(C2=CC=CS2)N1


Input: N-hydroxy-3-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzeneamine oxide

Output: O=C1C(=CC2=CC=CC([NH+]([O-])O)=C2)CCC2=CC=CC=C12


Input: N-butyl-3-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide

Output: CCCCNC(=O)CCC1N=C2C3=CC=CC=C3N=C(SCC(=O)NC3=CC=CC(C)=C3)N2C1=O


Input: 4-[(3-bromophenyl)methylsulfanyl]-2-(3-fluorophenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one

Output: O=C1C=C2N=C(C3=CC=CC(F)=C3)N=C(SCC3=CC=CC(Br)=C3)N2N1


Input: 1-(2-methylpropanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

Output: CC1=NC(CCNC(=O)C2CCN(C(=O)C(C)C)CC2)=CS1


Input: 1-(3-chloro-4-fluorophenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiourea

Output: CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NC(=S)NC3=CC=C(F)C(Cl)=C3)C=C2)=N1


Input: N-[4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-(dimethylamino)naphthalene-1-sulfonamide

Output: CN(C)C1=CC=CC2=C(S(=O)(=O)NC3=CC=C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C=C3)C=CC=C12


Input: 7-[3-(aminomethyl)pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-5H-1,6-naphthyridine-3-carboxylic acid

Output: CCN1C=C(C(=O)O)C(=O)C2=C1C=C(N1CCC(CN)C1)N(F)C2


Input: [carbonofluoridoyl-(2,2-dimethyl-3H-1-benzofuran-7-yl)amino]carbamic acid

Output: CC1(C)CC2=CC=CC(N(NC(=O)O)C(=O)F)=C2O1


Input: 1-(cyclohexylamino)-4-[N-(trifluoromethoxy)anilino]anthracene-9,10-dione

Output: O=C1C2=CC=CC=C2C(=O)C2=C(N(OC(F)(F)F)C3=CC=CC=C3)C=CC(NC3CCCCC3)=C12


Input: 3-(dimethylamino)-2-methylidenedodecanamide

Output: C=C(C(N)=O)C(CCCCCCCCC)N(C)C


Input: 7-[3-[butyl-[2-hydroxy-3-(2-phenylmethoxyphenoxy)propyl]amino]propyl]-1,3-dimethylpurine-2,6-dione

Output: CCCCN(CCCN1C=NC2=C1C(=O)N(C)C(=O)N2C)CC(O)COC1=CC=CC=C1OCC1=CC=CC=C1


Input: [(3aR,4R,6S,6aR,9aR,9bR)-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl] furan-3-carboxylate

Output: C=C1C(=O)OC2C1C(OC(=O)C1=COC=C1)CC1(CO1)C1CC=C(C)C21


Output: CC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(OC4CCC5(C)C(=CCC6C5CCC5(C)C(C(C)CCCC(C)C)CCC65)C4)C(O)C3O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO


Input: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxopiperazin-1-yl]-3-(furan-3-yl)propanoic acid

Output: N=C(N)C1=CC=C(OCCCCN2CCN(C(CC(=O)O)C3=COC=C3)C(=O)C2=O)C=C1


Input: 2-(2-methoxyethoxy)-2-methyl-1-phenylpropan-1-one


Input: ethyl 2-[[2-(4-chloro-2-methylsulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Output: CCOC(=O)C1=C(NC(=O)CNC2=CC=C(Cl)C=C2S(C)(=O)=O)SC2=C1CCCC2


Input: 2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-3-phenylpropanoic acid

Output: O=C(O)C(CC1=CC=CC=C1)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C1=O


Input: 1-O-tert-butyl 2-O-methyl 2-[(4-bromophenyl)methyl]pyrrolidine-1,2-dicarboxylate

Output: COC(=O)C1(CC2=CC=C(Br)C=C2)CCCN1C(=O)OC(C)(C)C


Input: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)propanoic acid

Output: COC1=CC=C(C(CC2=CC=C3OCCOC3=C2)C(=O)O)C=C1


Input: 3-(4-cycloheptylphenyl)-2-hydroperoxybut-3-en-1-ol


Input: phenyl 2-(2-phenylpyrrolidin-1-yl)ethanesulfonate

Output: O=S(=O)(CCN1CCCC1C1=CC=CC=C1)OC1=CC=CC=C1


Input: 2-[4-[(E)-3-(1,3-dioxoisoindol-2-yl)prop-1-enyl]-1,3-thiazol-2-yl]guanidine;hydrochloride

Output: Cl;NC(N)=NC1=NC(C=CCN2C(=O)C3=CC=CC=C3C2=O)=CS1


Input: 5-methylidene-3a-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

Output: C=C1CC2COC(=O)C2(CC2=CC=C(C(=O)N3CCCC3)C=C2)C1


Input: 2-[[4-[(2-sulfanylphenyl)methyl]phenyl]methyl]benzenethiol


Input: N'-[6-(2,3-dimethylanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide

Output: CC1=CC=CC(NC2=NC=NC(NNC(=O)C3=CC=CC=N3)=C2[N+](=O)[O-])=C1C


Output: COC(=O)C(CC1=NC(C)=C(C(=O)OC(C)(C)C)C(CC2OC(COCC3=CC=CC=C3)C(OCC3=CC=CC=C3)C(OCC3=CC=CC=C3)C2OCC2=CC=CC=C2)=C1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C


Input: methyl 6-tert-butyl-2-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Output: COC(=O)C1=C(NC(=O)C(C)SC2=NC=CN2C)SC2=C1CCC(C(C)(C)C)C2


Input: (5R,6R,7R)-2-[(2,5-dimethylphenyl)-prop-2-enylcarbamoyl]-3-[(2R)-1-hydroxypropan-2-yl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylic acid

Output: C=CCN(C(=O)C1N(C(C)CO)C(=O)C2C(C(=O)O)C3(C)OC21CC3C)C1=CC(C)=CC=C1C


Input: (1S,3S,9R,10S)-15-tert-butyl-7-(4-ethoxyphenyl)-12-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-3-methyl-2-thia-7,12,15-triazatetracyclo[8.8.0.01,13.03,9]octadeca-4,17-diene-8,11,14-trione

Output: CCOC1=CC=C(N2CC=CC3(C)SC45C=CCN(C(C)(C)C)C(=O)C4N(C(CO)C(C)CC)C(=O)C5C3C2=O)C=C1


Input: (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-7-ethyl-3-(2-hydroxyethyl)-4-oxo-2-N,6-N-bis(prop-2-enyl)-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

Output: C=CCN(CCC)C(=O)C1C2C(=O)N(CCO)C(C(=O)N(CC=C)C3=C(C)C=CC=C3C)C23CCC1(CC)O3


Input: N,N-bis(2-chloroethyl)-6-methylheptan-2-amine;hydrochloride

Output: CC(C)CCCC(C)N(CCCl)CCCl;Cl


Input: N-pyridin-2-yl-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide

Output: O=C(NC1=CC=CC=N1)C1=CC=CC=C1NC1=CC=NC(C(F)(F)F)=C1


Input: N-[4-[2-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]phenyl]acetamide

Output: CC(=O)NC1=CC=C(C(=O)CSC2=NC3=C(C(C)=C(C)S3)C(=O)N2C2=CC=C(Cl)C=C2)C=C1


Input: 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione

Output: CC1=CC=CC(C)=C1N1C(=O)CC(N2CCN(C3=NC=C(C(F)(F)F)C=C3Cl)CC2)C1=O


Input: (1-amino-1-oxopropan-2-yl) 3-[(4-acetylphenyl)sulfonylamino]propanoate

Output: CC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)OC(C)C(N)=O)C=C1


Input: ethyl 4-methyl-6-[[2-[(3-methylbenzoyl)amino]acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Output: CCOC(=O)C1=C(COC(=O)CNC(=O)C2=CC=CC(C)=C2)NC(=O)NC1C


Input: 6-amino-N-(4-fluoro-2-methylphenyl)hexanamide


Input: N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

Output: COC1=CC=C(CCN2CCC(N(CCN(C)C)C(=O)C3=CC=C4OCOC4=C3)CC2)C=C1


Input: [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone

Output: COCC1CCCCN1C(=O)C1=CC=C2N=C(CC3=CC=C(OC)C(OC)=C3)OC2=C1


Input: [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[5-(phenoxymethyl)-1,2-oxazol-3-yl]methanone

Output: CN1CCN(C(=O)C2=NOC(COC3=CC=CC=C3)=C2)C(C2=CC=CC=C2)C1


Input: N-(5-chloro-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide;dihydrochloride

Output: CC1=CC=C(Cl)C=C1NC(=O)CN(C)CCN1CCCC1;Cl;Cl


Input: [(1S)-1-[5-(2-methylpropyl)-2-oxopyrrolidin-3-yl]-3-oxo-4-phenylbutyl] acetate

Output: CC(=O)OC(CC(=O)CC1=CC=CC=C1)C1CC(CC(C)C)NC1=O


Input: 1'-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

Output: O=C1NC2=CC=CC=C2C2(CCN(C3CCN(C4CC5CCC4C5)CC3)CC2)O1


Input: 6-chloro-1-ethyl-3H-imidazo[4,5-b]pyridin-2-one


Input: (4-cyano-3-fluorophenoxy)-[[[5-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonylamino]methyl]phosphinic acid

Output: N#CC1=CC=C(OP(=O)(O)CNS(=O)(=O)C2=CC=C(C3=CNC(=O)C=C3)S2)C=C1F


Input: 1-[[4-[5-(methylamino)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]pyrrolidin-2-one

Output: CNC1CCC2=C(C1)C(C(F)(F)F)=NN2C1=CC=C(CN2CCCC2=O)C=C1


Input: methyl-[4-(4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamic acid

Output: CN(C(=O)O)C1=CC=C(C2=NC(N3CCOCC3)=C3C=NNC3=N2)C=C1


Input: [(3S,5R)-5-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-3-yl] morpholine-4-carboxylate

Output: O=C(OC1CNC(C#CC2=CC3=NC=NC(NC4=CC=C(OCC5=CC=CC(F)=C5)C(Cl)=C4)=C3S2)C1)N1CCOCC1


Input: (1R,2R)-1-(4-nitrophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol

Output: O=[N+]([O-])C1=CC=C(C(O)C(CO)NC2=NC=NC3=C2C=CS3)C=C1


Input: (5-chlorothiophen-2-yl)-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Output: O=C(C1=CC=C(Cl)S1)N1CCN(C2=NC=C(C(F)(F)F)C=C2Cl)CC1


Input: (2S)-6-methyl-N-(4-methyl-3-nitrophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

Output: CC1=CC=C2CC(C(=O)NC3=CC=C(C)C([N+](=O)[O-])=C3)SC2=C1


Input: 1-(2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Output: NC(=O)C1CCN(C2=NC(C3=CC=CS3)=NC3=C2C2=C(CCCC2)S3)CC1


Input: 6-[3-(4-tert-butylphenoxy)propylsulfanylmethyl]-1,3,5-triazine-2,4-diamine

Output: CC(C)(C)C1=CC=C(OCCCSCC2=NC(N)=NC(N)=N2)C=C1


Input: (5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione

Output: CCOC1=CC=C(C(C)=O)C=C1CN1C(=O)NC(C)(C2=CC=C(C(C)(C)C)C=C2)C1=O


Input: [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

Output: CC1=CC=C(S(=O)(=O)N(C)CC(=O)OC(C)C(=O)C23CC4CC(CC(C4)C2)C3)C=C1


Input: 2-methyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide

Output: CC1=CC=C(S(=O)(=O)N2CCCC2)C=C1C(=O)NC1=CC=CC=C1C(=O)NC(C)C1=CC=CC=C1


Input: cyclopropyl-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Output: COC1=CC(C2=C(OC)C=CC=C2OC)=CC2=C1OCCN(C(=O)C1CC1)C2


Input: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-cyclopentylacetamide

Output: CN1C(=O)C2=C(N(CC(=O)NC3CCCC3)C(Br)=N2)N(C)C1=O


Input: (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylacetic acid

Output: O=C1CCC(C(=O)NC(C(=O)O)C2=CC=CC=C2)N1


Input: 2-hydroxy-4-methoxy-N-(6-methylpyridin-2-yl)benzamide


Input: (3R)-N-[(4-fluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

Output: CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)NCC3=CC=C(F)C=C3)C2)C(C)=C1


Input: 1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine


Input: methyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate

Output: COC(=O)CC(N)C1=CC=CC=C1C(F)(F)F


Input: N-(5-benzyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide

Output: O=C(NC1=NC=C(CC2=CC=CC=C2)S1)C1=CC=C(Br)O1


Input: N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide

Output: CC1=CC=C([N+](=O)[O-])C=C1N(CC(=O)NCCCN1CCC2=CC=CC=C21)S(C)(=O)=O


Input: methyl 6-[(2-bromophenyl)carbamoyl]pyridine-3-carboxylate

Output: COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2Br)N=C1


Input: 5-ethyl-1-(4-methylphenyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazole-4-carboxamide

Output: CCC1=C(C(=O)NCC2=CC=C(N3CCCC3)N=C2)C=NN1C1=CC=C(C)C=C1


Input: 3-(2-bromophenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine


Input: methyl 2-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-6-carboxylate

Output: COC(=O)C1=CC=CC2=C1NC1=C2CN(C(=O)CC2=C(C)N(C)N=C2C)CC1


Input: 1,3,6-trimethyl-N-(2-pyrazol-1-ylpyridin-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

Output: CC1=CC(C(=O)NC2=CC=CN=C2N2C=CC=N2)=C2C(C)=NN(C)C2=N1


Input: N-[(1S)-1-cyclopropylethyl]-6-imidazol-1-ylpyridine-3-carboxamide


Input: methyl 5-cyano-1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylate

Output: C=C(C)CN(CC)C(=O)CN1C=C(C(=O)OC)C=C(C#N)C1=O


Input: N-[3-(tert-butylsulfamoyl)phenyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

Output: CC(C)(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NC=C(C3=CC=CC=C3F)O2)=C1


Input: N-(2-fluorophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

Output: CN1C(SCC(=O)NC2=CC=CC=C2F)=NC2=C(C=CS2)C1=O


Input: 2-(4-nitrophenyl)sulfanyl-N-(2-pyrazol-1-ylpyridin-3-yl)acetamide

Output: O=C(CSC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CN=C1N1C=CC=N1


Input: N-(4-chlorophenyl)-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

Output: CC1=CC=C2OC(=O)CN(CC(=O)NC3=CC=C(Cl)C=C3)C2=C1


Input: (5E)-3-(2-aminoethyl)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one


Input: methyl 4-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate

Output: COC(=O)C1=C(C)NC(=O)N=C1SCC(=O)NC1=CC=CC=C1OC(F)F


Input: (2R)-N-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide

Output: CC(NC1=CC=C2OCCCOC2=C1)C(=O)NC1=CC=C2OCOC2=C1


Input: 5-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide

Output: NC(=O)C1=CC(NC(=O)C2=CC=CC(NS(=O)(=O)C3=CC=C4OCCCOC4=C3)=C2)=CC=C1F


Input: 2-methylpropyl (6R)-6-(4-chlorophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Output: CC1=C(C(=O)OCC(C)C)C(C2=CC=C(Cl)C=C2)N2C(=O)CCSC2=N1


Input: 4-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[(3S)-1-ethylsulfonylpiperidin-3-yl]-1H-1,2,4-triazole-5-thione

Output: CCS(=O)(=O)N1CCCC(C2=NNC(=S)N2C2=NN(CC3=C(F)C=CC=C3Cl)C=C2)C1


Input: methyl (1R,6R)-6-methyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate

Output: COC(=O)C1C(=O)C=C(N2CCCC2)CC1C


Input: N-benzyl-N-tert-butyl-2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Output: CN1C(SCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)=NN=C1C1COC2=CC=CC=C2O1


Input: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

Output: CC(=O)NC1=CC=C(C2=CSC(NC(=O)C3=CC=C4C(=O)N(C)C(=O)C4=C3)=N2)C(F)=C1


Input: (2S)-2-[[4-(1-benzofuran-6-carbonyl)-2,6-dichlorobenzoyl]amino]-5-(methanesulfonamido)pentanoic acid

Output: CS(=O)(=O)NCCCC(NC(=O)C1=C(Cl)C=C(C(=O)C2=CC=C3C=COC3=C2)C=C1Cl)C(=O)O


Input: 4-[(5R)-5-(1,3-benzodioxol-5-yl)-3-oxocyclohexen-1-yl]benzonitrile

Output: N#CC1=CC=C(C2=CC(=O)CC(C3=CC=C4OCOC4=C3)C2)C=C1


Input: 1-(2-chloro-4-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid

Output: CC1=CC=C(N2CCC(C(=O)O)C2=O)C(Cl)=C1


Input: 2-benzyl-4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

Output: CC1=CC=CC(C2=NC(N3CCN(C)CC3)=NC3=NN(CC4=CC=CC=C4)C(N)=C23)=C1


Input: 2-[(3,4-difluorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

Output: COCCCN(CC(=O)N(CCC1=CNC2=CC=CC=C12)CC1=CC=C(N(C)C)C=C1)C(=O)NC1=CC=C(F)C(F)=C1


Input: N-cyclopropyl-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methylpropanamide

Output: CC(C)C(=O)N(CC1=CC=CC(OCC2=NC(CO)=CS2)=C1)C1CC1


Input: 2-naphthalen-2-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide

Output: O=C(CC1=CC=C2C=CC=CC2=C1)NC1=CC=CC(CN2N=C3C=CC=CN3C2=O)=C1


Input: ethyl 5-methyl-1-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Output: CCOC(=O)C1=C(C)N(C2=CC=C(C(=O)NCC(C(C)C)N3CCOCC3)C=C2)N=C1


Input: (4-butan-2-ylphenyl)-(2-ethoxyphenyl)methanamine


Input: 4-chloro-3-(2,6-dimethylpiperidin-1-yl)sulfonylbenzoic acid

Output: CC1CCCC(C)N1S(=O)(=O)C1=CC(C(=O)O)=CC=C1Cl


Input: N-propyl-N-(1,3-thiazolidin-4-ylmethyl)cyclopropanamine


Input: 1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylethanamine


Input: 3-chloro-N-(4-fluoro-3-nitrophenyl)propane-1-sulfonamide

Output: O=[N+]([O-])C1=CC(NS(=O)(=O)CCCCl)=CC=C1F


Input: 1-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]propan-2-amine


Input: N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

Output: CCCN1N=C(C)C(CN(CC2=CC=CC=C2F)CC2CCCO2)=C1C


Input: 2-(4-chlorophenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]butanamide

Output: CCC(SC1=CC=C(Cl)C=C1)C(=O)NC(CC)C1=CC=C(C)C=C1


Input: N-[2-(cyclohexen-1-yl)ethyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

Output: O=C(NCCC1=CCCCC1)C1CCCN(CC2=CC=CC3=CC=CC=C23)C1


Input: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-phenylphenyl)acetamide

Output: CCOC1=CC=CC2=C1N=C(N(CCN1CCOCC1)C(=O)CC1=CC=C(C3=CC=CC=C3)C=C1)S2


Input: 4-(benzylamino)-3,5-difluoro-1H-pyridazin-6-one


Input: (3-fluoro-4-nitrophenyl) 2-(trimethylazaniumyl)ethyl phosphate

Output: C[N+](C)(C)CCOP(=O)([O-])OC1=CC=C([N+](=O)[O-])C(F)=C1


Input: (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanamide

Output: NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC1=CNC2=CC=CC=C12


Input: benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-pyrrolidin-2-ylpropan-2-yl]carbamate

Output: CC(C)CC(NC(=O)C(CO)NC(=O)C(CC1CCCN1)NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1


Input: 3-amino-4-[[(2S)-3-(3-hydroxy-4-methoxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Output: COC(=O)C(CC1=CC=C(OC)C(O)=C1)NC(=O)C(N)CC(=O)O


Input: 3-cyclohexyl-1-[[(2S,3R)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

Output: CC1CN(C(C)CO)C(=O)C2=CC(NS(=O)(=O)C3=CC=C(F)C=C3)=CC=C2OC1CN(C)C(=O)NC1CCCCC1


Input: (2S)-N-(4-methoxyphenyl)-2-[[5-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]amino]-3-phenylpropanamide;2,2,2-trifluoroacetic acid

Output: COC1=CC=C(NC(=O)C(CC2=CC=CC=C2)NC2=NC(NCCN3CCCC3)=NC=C2C)C=C1;O=C(O)C(F)(F)F;O=C(O)C(F)(F)F


Input: 2-(1,3-dioxoisoindol-2-yl)ethyl N-(2,5-dichlorophenyl)-1-[[N-(2,5-dichlorophenyl)-C-[2-(1,3-dioxoisoindol-2-yl)ethoxy]carbonimidoyl]disulfanyl]methanimidate

Output: O=C1C2=CC=CC=C2C(=O)N1CCOC(=NC1=CC(Cl)=CC=C1Cl)SSC(=NC1=CC(Cl)=CC=C1Cl)OCCN1C(=O)C2=CC=CC=C2C1=O


Output: CC1=NOC(C)=C1S(=O)(=O)N(C)CC1OCCCCC(C)OC2=CC=C(NC(=O)NC3=CC=CC4=CC=CC=C34)C=C2C(=O)N(C(C)CO)CC1C


Input: 2-(4-chlorophenyl)sulfanyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]acetamide

Output: COC1=CC=C2OC(C3=CSC(NC(=O)CSC4=CC=C(Cl)C=C4)=N3)=CC2=C1


Input: N-[(5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(2-methoxyphenoxy)acetamide

Output: COC1=CC=CC=C1OCC(=O)NCC1CC2=CC(Cl)=CC(C3=NC=CC=N3)=C2O1


Input: 2-(2,6-dimethylphenoxy)ethyl 2-(2-hydroxyethylamino)benzoate

Output: CC1=CC=CC(C)=C1OCCOC(=O)C1=CC=CC=C1NCCO


Input: 2-pyrrolidin-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole


Input: N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methyl-2-methylsulfonylbenzamide

Output: CN(CC1=NC2=CC=CC=C2N1C(F)F)C(=O)C1=CC=CC=C1S(C)(=O)=O


Input: N-(3-methoxypropyl)-3-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

Output: COCCCN(CC1=CSC(COC2=CC=CC=C2C)=N1)C(=O)C1=CC=CC(C)=C1


Input: 3-(4-chlorobenzoyl)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

Output: CC1=CC=CC=C1CN1C(=O)C2(SC(C)(C)CN2C(=O)C2=CC=C(Cl)C=C2)C2=CC=CC=C21


Input: 3-cyclopentyl-N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)propanamide

Output: CCC1=NN(C2=CC=C(F)C=C2)C(N2CCN(C(C)C)CC2)=C1CN(CC(C)C)C(=O)CCC1CCCC1


Input: 2-(azepan-1-yl)-7-benzyl-4-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Output: CC1=CC=C(C2=NC(N3CCCCCC3)=NC3=C2CCN(CC2=CC=CC=C2)C3)C=C1


Input: [1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methanone

Output: CC1=NOC(C=CC2=CC=C(F)C=C2F)=C1S(=O)(=O)N1CCC(C(=O)N2CCC(N(C)C(C)C)CC2)CC1


Input: 1-(3-chloro-4-methoxyphenyl)-3-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]thiourea

Output: COC1=CC=C(NC(=S)NN=CC2=CC=C(N3CCOCC3)O2)C=C1Cl


Input: N,N-dimethyl-2-[4-(2,4,5-trimethylfuran-3-carbonyl)-1,4-diazepan-1-yl]acetamide

Output: CC1=C(C)C(C(=O)N2CCCN(CC(=O)N(C)C)CC2)=C(C)O1


Input: 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methyl-N-(1-phenylethyl)acetamide

Output: CC(C1=CC=CC=C1)N(C)C(=O)CSC1=NC=C2C=CC=CN12


Input: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1-pyridin-4-ylethyl)acetamide

Output: CC(NC(=O)COC1=CC=CC2=C1OC(C)(C)C2)C1=CC=NC=C1


Output: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2OCCCNC(=O)C2=NC=CN=C2N)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O


Input: 6-methyl-5-nitroimidazo[2,1-b][1,3]thiazole


Input: 2-(2-chloroanilino)-N-(3-cyclopentylsulfonylphenyl)acetamide

Output: O=C(CNC1=CC=CC=C1Cl)NC1=CC=CC(S(=O)(=O)C2CCCC2)=C1


Input: N-[(E)-(3-nitrophenyl)methylideneamino]-1-phenylmethanesulfonamide

Output: O=[N+]([O-])C1=CC=CC(C=NNS(=O)(=O)CC2=CC=CC=C2)=C1


Input: 3-(methanesulfonamido)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]benzamide

Output: CS(=O)(=O)NC1=CC=CC(C(=O)NC2=CC=CC(CN3CCSCC3)=C2)=C1


Input: 1-O-tert-butyl 3-O-methyl (3R,4S)-4-[1-(2,2-dimethylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl]pyrrolidine-1,3-dicarboxylate

Output: COC(=O)C1CN(C(=O)OC(C)(C)C)CC1C1=CC=C2C(=N1)OCCN2C(=O)C(C)(C)C


Input: benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Output: COCC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1


Input: [4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 2-nitrobenzenesulfonate

Output: COC1=CC(C=C2SC(=O)N(CC3=CC=C(Br)C=C3)C2=O)=CC=C1OS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]


Input: (5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Output: CC1=CC(C=C2SC(=O)N(CC3=C(Cl)C=CC=C3Cl)C2=O)=C(C)N1CCC1=CC=CC=C1


Input: N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylsulfanylbutanamide

Output: CSCCC(C(=O)NCC1=CC=CC=C1)N1C(=O)C2C3C=CC(C3)C2C1=O


Input: N-(2,3-dimethylphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide

Output: CC1=CC=CC(NC(=O)CSCC2=NC(C3=CC=C(F)C=C3)=NO2)=C1C


Input: N-(3-chlorophenyl)-5-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

Output: CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=C(C(=O)NC4=CC=CC(Cl)=C4)S3)CC2)C(C)=C1


Input: [2-ethoxy-4-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]phenyl] thiophene-2-carboxylate

Output: C=CCN1C(=O)NC(=O)C(=CC2=CC=C(OC(=O)C3=CC=CS3)C(OCC)=C2)C1=O


Input: 2-(1H-benzimidazol-2-yl)ethylazanide;dichloropalladium


Input: N-[[5-[[acetyl(methyl)amino]methyl]-2,4-dimethoxyphenyl]methyl]-N-methylacetamide

Output: COC1=CC(OC)=C(CN(C)C(C)=O)C=C1CN(C)C(C)=O


Input: N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine

Output: CCN1N=CN=C1C(C)NC1=NC=C2C(=N1)CCN2C1=CC=CC=C1


Input: (5-fluoro-1-methylbenzimidazol-2-yl)methanamine


Input: N-[2-(2,2-dibromoethenyl)phenyl]-4-methylindole-1-carboxamide

Output: CC1=CC=CC2=C1C=CN2C(=O)NC1=CC=CC=C1C=C(Br)Br


Input: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide

Output: C=C(C)CN(CC)C(=O)C1=CC=CC(CN2N=C(C)C=C2C)=C1


Input: 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

Output: O=C(CSC1CCS(=O)(=O)C1)NC1=CC=C(F)C(C(F)(F)F)=C1


Input: 2-(2-methylbenzimidazol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

Output: CC1=NC2=CC=CC=C2N1CC(=O)NC1=NN=C(CC(C)C)S1


Input: (4-methoxy-3-nitrophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

Output: COC1=CC=C(C(=O)N2CCN(C)CC2C2=CC=CC=C2)C=C1[N+](=O)[O-]


Input: 3-(1,3-benzodioxol-5-yl)-N-(4-phenylbutan-2-yl)propanamide

Output: CC(CCC1=CC=CC=C1)NC(=O)CCC1=CC=C2OCOC2=C1


Input: 5-(4-aminophenyl)furan-2-carboxylic acid

Output: NC1=CC=C(C2=CC=C(C(=O)O)O2)C=C1


Input: (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

Output: COC1=C(C)C=CC=C1CN1C2CCC1CC(O)(C1=CC=CC=C1F)C2


Input: (2S)-3-(1H-indol-3-yl)-2-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoic acid

Output: CN1C(SCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)O)=NN=C1C1=CC=CC=C1


Input: (1S,4aR,5R,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol

Output: CC1(O)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12


Input: 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile

Output: CC1CCCN(S(=O)(=O)C2=CC=C(C3=NC(C#N)=C(N4CCN(C5=CC=CC(Cl)=C5)CC4)O3)C=C2)C1


Input: [(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone

Output: COC1=CC=C(OC)C(C2CCCN2C(=O)C2=CC=C(N3CCC(C)=N3)C=C2)=C1


Input: methyl 2-[(1S,2R,4aR,5S,8aR)-1,5-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate

Output: C=C(C(=O)OC)C1CCC2(C)C(O)CCC(=C)C2C1O


Input: 4-[cyclopropyl-[(1R)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

Output: CNC(=O)C1=CC(S(=O)(=O)N(C2CC2)C2CCC3=CC=CC=C32)=CN1C


Input: N-(5-chloro-2-methylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide

Output: CC1=CC=C(Cl)C=C1NC(=O)C1=NOC(C2=CC=C(OC(C)C)C=C2)=C1


Input: N-cyclopropyl-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide

Output: CC1=CC(C)=C(C(=O)N2CCCC(C(=O)NC3CC3)C2)N1


Input: 3-(morpholine-4-carbonyl)-6-propyl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione


Input: [4-[(3-methoxyoxan-4-yl)-methylamino]piperidin-1-yl]-[5-methoxy-6-[[(2R,6S)-6-phenyloxan-2-yl]methylamino]pyrimidin-4-yl]methanone

Output: COC1=C(NCC2CCCC(C3=CC=CC=C3)O2)N=CN=C1C(=O)N1CCC(N(C)C2CCOCC2OC)CC1


Input: 4-[(4-benzylpiperidin-1-yl)methyl]-N-pentan-3-ylbenzamide

Output: CCC(CC)NC(=O)C1=CC=C(CN2CCC(CC3=CC=CC=C3)CC2)C=C1


Input: [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone


Input: ethyl 9-(methoxycarbonylamino)-2,3-dihydro-1-benzoxepine-4-carboxylate

Output: CCOC(=O)C1=CC2=CC=CC(NC(=O)OC)=C2OCC1


Input: (3,3-diethyl-4-oxoazetidin-2-yl) 2-ethylbutanoate

Output: CCC(CC)C(=O)OC1NC(=O)C1(CC)CC


Input: (2S)-2-[amino-[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-4-oxo-4-(2-oxochromen-3-yl)butanoic acid

Output: NN(C(=O)C1=CC=C(C(=O)NCC2=CC=CC(O)=C2)C=C1Cl)C(CC(=O)C1=CC2=CC=CC=C2OC1=O)C(=O)O


Input: methyl 2-[[2-amino-1-(4-bromophenyl)-2-oxoethyl]amino]benzoate

Output: COC(=O)C1=CC=CC=C1NC(C(N)=O)C1=CC=C(Br)C=C1


Input: 5-O-[2-(1,3-dihydroisoindol-2-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-thiophen-2-yl-3,4-dihydropyridine-3,5-dicarboxylate

Output: COC(=O)C1C(C)=NC(C)=C(C(=O)OCCN2CC3=CC=CC=C3C2)C1C1=CC=CS1


Output: C=CCCC=C(CCC)C(C)=O


Input: 11-(1,3-dioxoisoindol-2-yl)undecyl 3-iminobutanoate

Output: CC(=N)CC(=O)OCCCCCCCCCCCN1C(=O)C2=CC=CC=C2C1=O


Input: 2-[[(2S)-2-amino-3-(2-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one

Output: CC1=C(C2=CC=NC=C2)N=C(NCC(N)CC2=CC=CC=C2F)N(C)C1=O


Input: 2-(7-tert-butyl-2,2,3-trimethylheptadecan-5-yl)phenol

Output: CCCCCCCCCCC(CC(CC(C)C(C)(C)C)C1=CC=CC=C1O)C(C)(C)C


Input: (6aR,9R)-N-(3-methoxycyclohexyl)-7-prop-2-enyl-4-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

Output: C=CCN1CC(C(=O)NC2CCCC(OC)C2)CC2C3=CC=CC4=C3C(=CN4CCC)CC21


Input: 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine

Output: COC1=CC(OC2=CC=CC(C(F)(F)F)=C2)=NC(OC2=CSC(C(F)(F)F)=C2)=C1


Input: 3-hydroxy-4-[[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]cyclobut-3-ene-1,2-dione


Input: cyclopentyl (2S)-2-cyclohexyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]acetate

Output: CC(C)C1=CC(C(=O)N2CCC(NC(C(=O)OC3CCCC3)C3CCCCC3)CC2)=C(O)C=C1O


Input: 3-bromo-N-cyclopentyl-4-(2-phenoxyethoxy)benzamide

Output: O=C(NC1CCCC1)C1=CC=C(OCCOC2=CC=CC=C2)C(Br)=C1


Input: 3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

Output: O=C(CNC1=CC=CC(C(=O)NCC2CCCO2)=C1)NC1=CC=CC(C(=O)N2CCCCCC2)=C1


Input: 2,4-dichloro-1-[(3-iodophenoxy)methyl]benzene


Input: 1-(cyclohepten-1-yl)-2-(4-methoxyphenyl)-N-methylethanamine


Input: 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one


Input: (2E)-2-hydroxyimino-4-methylpent-4-enoic acid

Output: C=C(C)CC(=NO)C(=O)O


Input: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

Output: CC1=CC(C(=O)NCCCC2=NC3=CC=CC=C3S2)=C(C)N1CC1=CC=CO1


Input: [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

Output: COC(=O)C=CC1=CC=C(OC(=O)C=CC2=CC=C(OCC3=CC=CC=N3)C=C2)C(OC)=C1


Input: [1-(4-bromobenzoyl)piperidin-4-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone

Output: O=C(C1=CC=C(Br)C=C1)N1CCC(C(=O)N2CCCN(CC(F)(F)F)CC2)CC1


Input: 4-(2-methylpiperidin-1-yl)sulfonyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide

Output: CC(C)N(C)CC1=CC=CC=C1CNC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C)C=C1


Input: 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(cyclohexen-1-yl)ethyl]urea

Output: CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(NC(=O)NCCC2=CCCCC2)=C1


Input: N-(2-anilino-2-oxo-1-phenylethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide

Output: O=C(NC(C(=O)NC1=CC=CC=C1)C1=CC=CC=C1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1Cl


Input: 5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide

Output: CNS(=O)(=O)C1=CN(C)C(C(=O)N2CCN(C(=O)C3=CC=CC=C3O)CC2)=C1


Input: 2-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide

Output: COC1=CC=C(CC(=O)NC2CCN(CC3=CC=CC=C3C)CC2)C=C1OC


Input: 1-[4-(pyridin-3-ylmethylsulfanyl)benzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

Output: O=C(NC1=NC=CS1)C1CCCN1C(=O)C1=CC=C(SCC2=CC=CN=C2)C=C1


Input: N-(1,1-dioxothiolan-3-yl)-2-[[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide

Output: CN(CC(=O)NC1CCS(=O)(=O)C1)CN1N=C(C2=CC=CO2)N(C2=CC=CC=C2)C1=S


Input: [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-naphthalen-2-yloxyacetate

Output: NC(=O)COC1=CC=CC(COC(=O)COC2=CC=C3C=CC=CC3=C2)=C1


Input: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[[2-(tetrazol-1-yl)acetyl]amino]benzoate

Output: CC(C)C1=CC=C(NC(=O)COC(=O)C2=CC=CC=C2NC(=O)CN2C=NN=N2)C=C1


Input: 3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)propanamide

Output: COC1=CC(NC(=O)CCN2CCCC2CC2=CC=CC=C2Cl)=CC(OC)=C1OC


Input: N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide

Output: CC(C)C(NC(=O)CCCCCNS(=O)(=O)C1=CC=C2OCCOC2=C1)C1=NC(C2CC2)=NO1


Input: (2E)-3-butyl-2-[(2E,4E)-5-(3-butyl-1,1-dimethyl-3a,4,5,9b-tetrahydrobenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]-1,1-dimethyl-3a,4,5,9b-tetrahydrobenzo[e]indole

Output: CCCCN1C(=CC=CC=CC2=[N+](CCCC)C3CCC4=CC=CC=C4C3C2(C)C)C(C)(C)C2C3=CC=CC=C3CCC21


Input: [1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-3-yl]-phenylmethanone

Output: CC1=NC(CN2CCCC(C(=O)C3=CC=CC=C3)C2)=C2C=CC=CN12


Input: 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid

Output: O=C(O)C1=C(O)C2=C(NC1=O)SC=C2


Input: [6-[[4-[(ethyldiazenyl)methyl]benzoyl]amino]-3,4-dihydro-2H-chromen-2-yl] butanoate

Output: CCCC(=O)OC1CCC2=CC(NC(=O)C3=CC=C(CN=NCC)C=C3)=CC=C2O1


Input: 2-(ethoxymethyl)-8-phenylmethoxy-1-propylimidazo[4,5-c]quinolin-4-amine

Output: CCCN1C(COCC)=NC2=C(N)N=C3C=CC(OCC4=CC=CC=C4)=CC3=C21


Output: CC=CC(CCCCNC(C)=O)NC(C)=O


Input: N-[6-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxyhexyl]-4-oxopentanamide

Output: CC(=O)CCC(=O)NCCCCCCOC1C(O)C(N)CC(N)C1OC1OC(CN)C(O)C(O)C1N


Input: [(2R)-3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylate

Output: O=C1CC2(CCN(C(=O)OC(CC3=CC(Cl)=C(Cl)C(C(F)(F)F)=C3)C(=O)N3CCC(N4CCCCC4)CC3)CC2)C2=CC=CC=C2N1


Input: 1-[3-[(2-chloro-4-methoxyphenyl)methylcarbamoyl]-6-fluoro-8-methoxy-4-oxo-1-(2,2,2-trifluoroethyl)quinolin-7-yl]piperidine-4-carboxylic acid

Output: COC1=CC=C(CNC(=O)C2=CN(CC(F)(F)F)C3=C(OC)C(N4CCC(C(=O)O)CC4)=C(F)C=C3C2=O)C(Cl)=C1


Input: N-[4-(1-hydroxypropyl)phenyl]-3-nitro-N-[4-(1,3-thiazol-2-yl)butyl]benzenesulfonamide

Output: CCC(O)C1=CC=C(N(CCCCC2=NC=CS2)S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1


Input: 5-[1-(3H-benzimidazol-5-yl)-3-(cyclohexanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]furan-2-carboxylic acid

Output: O=C(O)C1=CC=C(C2C(C(=O)C3CCCCC3)=C(O)C(=O)N2C2=CC=C3N=CNC3=C2)O1


Input: 1-(5-methyl-6-phenylpyridin-2-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)

Output: CC1=CC=C(C=NC2=CC=C3C=CC=CC3=C2C2=[C-]C=CC=C2)N=C1C1=[C-]C=CC=C1;[Pd+2]


Input: 3-[[2-fluoro-6-[2-(5-fluoro-2-methoxypyridin-3-yl)ethyl]pyridin-3-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine

Output: COC1=NC=C(F)C=C1CCC1=CC=C(CC2=CNC3=NC=C(C)C=C23)C(F)=N1


Input: N-[4-[3-(2-ethylpyrimidin-4-yl)pyridin-2-yl]oxy-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide

Output: CCC1=NC=CC(C2=CC=CN=C2OC2=CC=C(NC(=O)C3=CNC(=O)C=C3)C=C2C)=N1


Input: 7-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-8-methyl-1-(3-methylthiophen-2-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

Output: CC1=CC2=C(C=C1C(=O)N1CC3=CC=CC=C3CC1CO)NC(=O)C1=NN=C(C3=C(C)C=CS3)N12


Input: 4-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione

Output: CN(C)C1=CC=C(C=CC=C2C(=O)N(C3=CC=CC=C3)N(C3=CC=CC=C3)C2=O)C=C1


Input: 2-[(2R,4S,5R)-6-(dimethoxyphosphoryloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxyacetic acid

Output: COP(=O)(OC)OCC1OC(OCC(=O)O)C(O)C(O)C1O


Input: tert-butyl (2S)-4-hydroxy-2-(methoxymethoxymethyl)-1-methylpyrrolidine-3-carboxylate

Output: COCOCC1C(C(=O)OC(C)(C)C)C(O)CN1C


Input: N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide

Output: COC1=CC(NC2=NC=C3C=CN(C4=CC=CC=C4C(=O)N(CCO)CCO)C3=N2)=CC(OC)=C1OC


Input: N-[2-(2-ethylpyridin-4-yl)propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

Output: CCC1=CC(C(C)(C)NC(=O)C2=CC3=C(C=C2F)C(=O)C2=CC=CC=C2N3)=CC=N1


Input: 2-(4-methoxyphenyl)-N-(3-methylidene-1,4-dioxoisoquinolin-5-yl)acetamide

Output: C=C1NC(=O)C2=CC=CC(NC(=O)CC3=CC=C(OC)C=C3)=C2C1=O


Input: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[5-(2,5-difluorophenyl)-1,3-thiazol-4-yl]carbamate

Output: O=C(NC1=C(C2=CC(F)=CC=C2F)SC=N1)OC1CN2CCC1CC2


Input: 5-[difluoro-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]methoxy]-2-[3,3-difluoro-3-(3,4,5-trifluorophenoxy)propyl]-1,3-difluorobenzene

Output: CCCCCC1=CC=C(C2=CC=C(C3=CC=C(C(F)(F)OC4=CC(F)=C(CCC(F)(F)OC5=CC(F)=C(F)C(F)=C5)C(F)=C4)C(F)=C3)C(F)=C2)C=C1


Input: 1-cyclobutyl-4-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]piperazine

Output: C1=CC=C2C(C3=NC=C(CN4CCN(C5CCC5)CC4)N3)=CC=CC2=C1


Input: 2-[carboxymethyl-[[6-[6-[6-[[carboxymethyl(hydroxymethyl)amino]methyl]pyridin-2-yl]-4-(4-methoxyphenyl)pyridin-2-yl]pyridin-2-yl]methyl]amino]acetic acid

Output: COC1=CC=C(C2=CC(C3=CC=CC(CN(CO)CC(=O)O)=N3)=NC(C3=CC=CC(CN(CC(=O)O)CC(=O)O)=N3)=C2)C=C1


Input: ethyl N-[(2-fluoro-4-nitrophenyl)-methyl-oxo-lambda6-sulfanylidene]carbamate

Output: CCOC(=O)N=S(C)(=O)C1=CC=C([N+](=O)[O-])C=C1F


Input: benzyl N-[(2R)-4-(dimethylamino)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate

Output: CN(C)C(=O)CC(CSC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1


Input: 2-chloro-1-[(1R,2S,13S,14S,16S,17R,18S,20S)-6-ethyl-1-fluoro-17,20-dihydroxy-2,16,18-trimethyl-7-aza-6-azoniapentacyclo[11.7.0.02,10.04,8.014,18]icosa-5,7,9-trien-17-yl]ethanone

Output: CC[N+]1=CC2CC3(C)C(=CC2=N1)CCC1C2CC(C)C(O)(C(=O)CCl)C2(C)CC(O)C13F


Input: copper;carbanide

Output: [CH3-];[CH3-];[CH3-];[CH3-];[Cu+2]


Input: deuterio 3-[deuterio(1,1,3,3,4,4,4-heptadeuteriobutyl)amino]-5-(dideuteriosulfamoyl)-4-phenoxybenzoate

Output: CCCCNC1=CC(C(=O)O)=CC(S(N)(=O)=O)=C1OC1=CC=CC=C1


Input: 18-ethyl-7-methoxy-10-(2-methyl-6-propan-2-ylphenyl)imino-2,12-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene-14,21-dione

Output: CCC1=CC=C2C(=O)C3=NC4=C(N=C3C(=O)C2=C1)C1=CC=C(OC)C=C1C4=NC1=C(C)C=CC=C1C(C)C


Input: 1-cyano-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine

Output: N#CNC(=NCC1=CC=C(C(F)(F)F)C=C1)NC1CCCCN(CC(=O)N2CCCC2)C1=O


Input: N-cycloheptyl-1-[2-fluoro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclopropane-1-carboxamide

Output: CC(C)C(=O)N1CCN(C2=CC=C(C3(C(=O)NC4CCCCCC4)CC3)C(F)=C2)CC1


Input: N-(3-acetamidophenyl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

Output: CC(=O)NC1=CC=CC(NC(=O)C2C3=CC=CC=C3C(=O)N(C3CCCC3)C23CCCC3)=C1


Input: propyl 3-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]propanoate

Output: CCCOC(=O)CCNC(=O)CC1=CC=C(N2C=NN=N2)C=C1


Input: 4-[(2-chloroquinolin-3-yl)methyl-cyclopropylamino]butan-1-ol


Input: N-[(4-tert-butylphenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide

Output: CC(C)(C)C1=CC=C(CN(C2CC2)S(=O)(=O)C2=CC=CN=C2)C=C1


Input: N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(3-phenoxypropyl)amino]propanamide

Output: CC(C(=O)NCCC1=CNC2=CC=CC=C12)N(C)CCCOC1=CC=CC=C1


Input: (7-methoxynaphthalen-2-yl) 2-butylsulfanylpropanoate

Output: CCCCSC(C)C(=O)OC1=CC=C2C=CC(OC)=CC2=C1


Input: 2-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]benzamide


Input: 2-(2-bromophenyl)-2-(4-methoxyanilino)propanamide

Output: COC1=CC=C(NC(C)(C(N)=O)C2=CC=CC=C2Br)C=C1


Input: 5-[hydroxy-(3-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one


Input: 2-amino-N-[1-(2-bromophenyl)ethyl]-4-methylbenzenesulfonamide

Output: CC1=CC=C(S(=O)(=O)NC(C)C2=CC=CC=C2Br)C(N)=C1


Input: 2-[(2-bromo-4-fluorophenyl)carbamoylamino]-3-hydroxypropanoic acid

Output: O=C(NC1=CC=C(F)C=C1Br)NC(CO)C(=O)O


Input: 1-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine


Input: [1-(5-ethyl-2-methylmorpholin-4-yl)cyclooctyl]methanamine


Input: 3-chloro-N-[2-methoxyethyl(methyl)carbamoyl]propanamide

Output: COCCN(C)C(=O)NC(=O)CCCl


Input: 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbenzamide


Input: 2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]benzonitrile


Input: 1-(furan-2-yl)-1-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-2-amine


Input: 2-[(2,3-difluorophenyl)methyl]cycloheptan-1-ol


Input: 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanol


Input: ethyl 3-[(2-chloropyridine-4-carbonyl)amino]propanoate

Output: CCOC(=O)CCNC(=O)C1=CC=NC(Cl)=C1


Input: methyl 4-butoxy-2-(cyclopropylamino)-2-methylbutanoate

Output: CCCCOCCC(C)(NC1CC1)C(=O)OC


Input: 5-amino-2-[(3-methoxy-2-methylpropyl)carbamoylamino]-5-oxopentanoic acid

Output: COCC(C)CNC(=O)NC(CCC(N)=O)C(=O)O


Input: 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

Output: CC(=O)C(NC(=O)CN(CCCO)C(C)C)C(C)C


Input: 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

Output: CCCNC(=O)C(C)NC1=CN=C(C(C)C)N=C1C(=O)O


Input: N-[(4-indazol-1-yl-2-methylphenyl)methyl]ethanamine


Input: N-(cyclohexylmethyl)-4-(ethylamino)-N-methylpyridine-2-carboxamide


Input: 2-(1-benzofuran-2-yl)-6-methyl-N-propylpyrimidin-4-amine


Input: 6-(methylamino)-N-[(6-methylpyridin-2-yl)methyl]pyridine-3-sulfonamide

Output: CNC1=CC=C(S(=O)(=O)NCC2=CC=CC(C)=N2)C=N1


Input: N-(furan-2-ylmethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide


Input: 2-(cyclopropylmethylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide


Input: 1-(3-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-2-amine


Input: 2-(4-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone


Input: 1-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopentylamino)ethanone


Input: N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide


Input: 4-tert-butyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid

Output: CC1CCCN1C1CC(C(C)(C)C)CCC1C(=O)O


Input: 1-[2-(2,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid

Output: CC1(C(=O)O)CCN(C(=O)CC2=CC=C(Cl)C=C2Cl)CC1


Input: 5-methyl-4-[(2-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid

Output: CSC1=CC=CC=C1NS(=O)(=O)C1=C(C)SC(C(=O)O)=C1


Input: 2-[1-(4-methoxypyrimidin-2-yl)pyrazol-4-yl]aniline


Input: 1-(2-chlorophenyl)-2-pyrazin-2-ylsulfanylethanone


Input: 1-(3-bromopentyl)-2-chloro-4-fluorobenzene


Input: 2-methyl-4-oxo-4-[(6-oxopiperidin-3-yl)amino]-2-propan-2-ylbutanoic acid

Output: CC(C)C(C)(CC(=O)NC1CCC(=O)NC1)C(=O)O


Input: N-(1-cyanopropan-2-yl)-N,4-dimethylpyrrolidine-3-carboxamide


Input: 2-(6-chloro-5-propylpyrimidin-4-yl)oxy-N,N-diethylethanamine


Input: 2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)propanenitrile


Input: 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-cyclopropylpropanoic acid

Output: CC(C)(C)C1CCN(CC(N)(C(=O)O)C2CC2)CC1


Input: 4-amino-N-(2-cyano-4-nitrophenyl)-4-methylpentanamide

Output: CC(C)(N)CCC(=O)NC1=CC=C([N+](=O)[O-])C=C1C#N


Input: 1-(2-chloro-6-fluorophenyl)-N,3,4-trimethylpentan-2-amine


Input: [1-(2-thiophen-3-ylethyl)piperidin-2-yl]methanamine


Input: 1-methylsulfanyl-4-thiophen-3-ylbutan-2-amine


Input: N-[[2-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]methyl]ethanamine


Input: 5-(3-chloro-4-hydroxyphenyl)-4-formamidopentanoic acid

Output: O=CNC(CCC(=O)O)CC1=CC=C(O)C(Cl)=C1


Input: 2-(2,4-dimethylpiperidin-1-yl)quinoline-5-carboxylic acid

Output: CC1CCN(C2=CC=C3C(C(=O)O)=CC=CC3=N2)C(C)C1


Input: N-[[2-(5-bromothiophen-2-yl)pyrimidin-4-yl]methyl]-2-methoxyethanamine


Input: 1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine


Input: 1-chloro-4-(3-chloropyridin-2-yl)sulfanylphthalazine


Input: 2-(2H-triazole-4-carbonylamino)pyridine-4-carboxylic acid

Output: O=C(O)C1=CC=NC(NC(=O)C2=NNN=C2)=C1


Input: (3,5-dimethylcyclohexyl)-(3-ethoxyphenyl)methanol


Input: [1-[(1-cyclohexylpyrazol-3-yl)methyl]-6-methylpiperidin-3-yl]methanamine


Input: 3-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide


Input: 2-(2-methoxyphenyl)-1-(2,4,5-trimethylphenyl)ethanamine


Input: 2-[4-(1-propan-2-ylazepan-4-yl)-1,4-diazepan-1-yl]acetic acid

Output: CC(C)N1CCCC(N2CCCN(CC(=O)O)CC2)CC1


Input: 2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine


Input: 3-(3-ethylcyclopentyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole


Input: 3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine


Input: N-cyclohexyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide


Input: (2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]butanoic acid

Output: CCC(NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)O


Input: 2-[2-(aminomethyl)cyclopentyl]oxy-N,N-diethylpropanamide


Input: 2-(aminomethyl)-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide


Input: 1-[2-(aminomethyl)-4-fluorophenyl]-N,N-dimethylpiperidin-3-amine


Input: 4-[(4-chloro-3-nitrophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione

Output: CC1(C)C(=O)NC(=O)CN1CC1=CC=C(Cl)C([N+](=O)[O-])=C1


Input: 2-methyl-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propane-1,2-diol


Input: 3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol


Input: 1-[(2-chloroquinazolin-4-yl)amino]-2,4-dimethylpentan-2-ol


Input: 2-chloro-6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline

Output: CC1=CC=CC(Cl)=C1NCC1=CSC(C2=CC=CC=N2)=N1


Input: methyl 4-(4-amino-2-methoxyphenoxy)-6-methylpyrimidine-2-carboxylate

Output: COC(=O)C1=NC(C)=CC(OC2=CC=C(N)C=C2OC)=N1


Input: 5-fluoro-2-propan-2-yloxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

Output: CC(C)OC1=NC=C(F)C(NC2CC(C)(C)NC(C)(C)C2)=N1


Input: (5R)-5-[3-[(2-hydroxynaphthalen-1-yl)methylamino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

Output: O=C1CSC2=CC=C(N3CC(CCCNCC4=C(O)C=CC5=CC=CC=C45)OC3=O)C=C2N1


Input: 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]benzene

Output: CC=CC1CCC(C2CCC(C3=CC=C(C4CCC(CCCCC)CC4)C=C3F)CC2)CC1


Input: 3-[(6S)-3-[(1S)-1-[4-(6-methoxypyridin-3-yl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide

Output: COC1=CC=C(C2=CC=C(C(C)N3CCC(CCC(N)=O)(C4=CC=CC=C4)OC3=O)C=C2)C=N1


Input: 1-[2-(4-bromo-N-ethylanilino)phenyl]ethanone


Input: N-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide


Input: 1-[4-[7-acetyl-4-(3-ethylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea

Output: CCNC(=O)NC1=CC=C(C2=NC3=C(CCN(C(C)=O)C3)C(N3CCOCC3CC)=N2)C=C1


Input: (2-hexyl-3-pentylphenyl) hydrogen carbonate

Output: CCCCCCC1=C(CCCCC)C=CC=C1OC(=O)O


Input: [4-[5-chloro-2-[(1S)-1-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-morpholin-4-yl-3-oxopropyl]-1H-imidazol-4-yl]phenyl]-methylcarbamic acid

Output: CN(C(=O)O)C1=CC=C(C2=C(Cl)NC(C(CC(=O)N3CCOCC3)NC(=O)C=CC3=CC(Cl)=CC=C3N3C=NN=N3)=N2)C=C1


Input: 5-(3-amino-4-fluorophenoxy)-N-methylpyridine-2-carboxamide


Input: 4-[(R)-hydroxy-(4-methoxyphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

Output: COC1=CC=C(C(O)C2COC(C)(C)N2C(=O)O)C=C1


Input: N-(3,5-dimethoxyphenyl)-4-methoxy-3-(methylamino)benzamide

Output: CNC1=CC(C(=O)NC2=CC(OC)=CC(OC)=C2)=CC=C1OC


Input: 1-(3-amino-4-fluorobutyl)-1-[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-3-(cyclopropylmethyl)urea

Output: CC(C)(C)C(C1=NC(C2=CC(F)=CC=C2F)=CN1CC1=CC=CC=C1)N(CCC(N)CF)C(=O)NCC1CC1


Input: benzyl (4S,5S)-2,2-dimethyl-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]-4-[[4-(5-methylpyridin-2-yl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate

Output: CC1=CC=C(C2=CC=C(CC3C(CC(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)OC(C)(C)N3C(=O)OCC3=CC=CC=C3)C=C2)N=C1


Input: [2-[[2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]-5-(methoxymethyl)phenyl]methanol

Output: COCC1=CC=C(CN2C(C3=NC=CC=C3C)CCCC2C2=NC=CC=C2C)C(CO)=C1


Input: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid;7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid

Output: CCCCC(C)CC(O)C=CC1C(O)CC(=O)C1CCCCC=CC(=O)O;CCCCCC(O)C=CC1C(O)CC(=O)C1CCCCCCC(=O)O


Input: methyl 5,7-dichloro-4-[2-[(2-methoxycarbonylphenyl)methylamino]-2-oxoethoxy]naphthalene-2-carboxylate

Output: COC(=O)C1=CC(OCC(=O)NCC2=CC=CC=C2C(=O)OC)=C2C(Cl)=CC(Cl)=CC2=C1


Input: [4-(4-bromophenyl)-4-oxobutyl]-dimethylazanium;iodide


Input: 1-N,1-N-dimethyl-8-N-propan-2-ylnaphthalene-1,8-diamine


Input: 3-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

Output: CC1=[N+]([O-])C2=CC(Cl)=CC=C2N2C=NC(C3=NOC(C4=CC=C(F)C=C4)=N3)=C12


Input: (5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoropyridin-2-yl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Output: CN1C(N)=NC(C)(C2=CC(NC(C3=CC=C(F)C=N3)C(F)(F)F)=CC=C2F)CS1(=O)=O


Input: 1-(1,3-benzothiazol-2-yl)-1-[benzyl(methyl)amino]-3-methylimidazolidin-1-ium-2-one

Output: CN1CC[N+](C2=NC3=CC=CC=C3S2)(N(C)CC2=CC=CC=C2)C1=O


Input: 7-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine


Input: 2-[2-[[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]-3-methylbutyl]amino]ethyl]benzo[de]isoquinoline-1,3-dione

Output: CN(CCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O)C(C)(C)CCNCCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O


Input: 4-[[2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-(sulfamoylamino)pyridine

Output: NS(=O)(=O)NC1=CN=CC=C1CN1CC(=O)N(C2=CC=C(SC(F)(F)F)C=C2)C1=O


Input: N-[4-[[5,7-dioxo-6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-yl]benzamide

Output: O=C(NC1=CN=CC=C1CN1C(=O)N(C2=CC=C(SC(F)(F)F)C=C2)C(=O)C12CC2)C1=CC=CC=C1


Input: 6-(furan-2-yl)-9-(3-phenylprop-2-enyl)purin-2-amine

Output: NC1=NC(C2=CC=CO2)=C2N=CN(CC=CC3=CC=CC=C3)C2=N1


Input: 3-[[2-(2-cyclopentylacetyl)-7-[2-(3,4-dimethoxyphenyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid

Output: COC1=CC=C(CCOC2=CC=C3CCN(C(=O)CC4CCCC4)C(C(=O)NC(CC(=O)O)C4=CC=C(C5=CC=CC=C5)C=C4)C3=C2)C=C1OC


Input: N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-(trifluoromethyl)benzamide

Output: CC1=C(Cl)C=CC=C1S(=O)(=O)C1(NC(=O)C2=CC=CC(C(F)(F)F)=C2)CCCNC1


Input: N-[(1S,2R,3S,4R)-2,3-dihydroxy-4-[6-[2-(2-phenylphenyl)ethylamino]-2-[(3R)-3-[[(3R)-pyrrolidin-3-yl]carbamoylamino]pyrrolidin-1-yl]purin-9-yl]cyclopentyl]propanamide

Output: CCC(=O)NC1CC(N2C=NC3=C(NCCC4=CC=CC=C4C4=CC=CC=C4)N=C(N4CCC(NC(=O)NC5CCNC5)C4)N=C32)C(O)C1O


Input: ethyl 3-[2-[[7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,5-dihydro-4,1-benzoxazepin-3-yl]methyl]-4-methyl-1,3-oxazol-5-yl]propanoate

Output: CCOC(=O)CCC1=C(C)N=C(CC2OC(C3=CC=CC(OC)=C3OC)C3=CC(Cl)=CC=C3NC2=O)O1


Input: N-[2-(3-fluorophenyl)ethyl]-1-methyl-5-[(2-phenylmethoxybenzoyl)amino]pyrazole-4-carboxamide

Output: CN1N=CC(C(=O)NCCC2=CC=CC(F)=C2)=C1NC(=O)C1=CC=CC=C1OCC1=CC=CC=C1


Input: N-[6-[(E)-2-(1H-indazol-3-yl)ethenyl]-1,3-benzodioxol-5-yl]-1-methylpyrrole-2-carboxamide

Output: CN1C=CC=C1C(=O)NC1=CC2=C(C=C1C=CC1=NNC3=CC=CC=C13)OCO2


Input: 1-amino-3-methylidene-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)guanidine


Input: [2-[methyl(4-phenylbutyl)amino]-7-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-diphenylacetate

Output: CN(CCCCC1=CC=CC=C1)C1CC2CCC1C2OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1


Input: 2-(3,7-dimethylocta-2,6-dienoxycarbonyl)benzoic acid

Output: CC(C)=CCCC(C)=CCOC(=O)C1=CC=CC=C1C(=O)O


Input: 1-[1-(3,4-dichlorophenyl)-3-methoxycyclohexyl]-N,N-dimethylmethanamine


Input: methyl 7-[(1R,2S,3R)-2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoate

Output: COC(=O)CCCC=CCC1C(=O)CC(O)C1C1=CC=C(C(O)C2CCCCC2)C=C1


Input: N-[5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfanylpyrazol-3-yl]pyridine-3-carboxamide

Output: CSC1=C(NC(=O)C2=CC=CN=C2)N(C2=C(Cl)C=C(C(F)(F)F)C=C2Cl)N=C1C#N


Input: (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-3-ethenyl-5-(methoxymethyl)oxolane-3,4-diol

Output: C=CC1(O)C(O)C(COC)OC1N1C=NC2=C(N)N=CN=C21


Input: 2,2-diethoxyethyl 2-methoxybenzoate

Output: CCOC(COC(=O)C1=CC=CC=C1OC)OCC


Input: 1-N,1-N,4-N,4-N-tetraethyl-2-[1-(furan-2-yl)octyl-dimethylsilyl]benzene-1,4-dicarboxamide

Output: CCCCCCCC(C1=CC=CO1)[Si](C)(C)C1=CC(C(=O)N(CC)CC)=CC=C1C(=O)N(CC)CC


Input: benzyl N-(3-piperidin-4-ylphenyl)carbamate

Output: O=C(NC1=CC=CC(C2CCNCC2)=C1)OCC1=CC=CC=C1


Input: N-[4-(8-azabicyclo[3.2.1]octan-8-yl)-3-fluorophenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

Output: FC1=CC(NC2=NC=NC3=C2CCN(C2=NC=CC=N2)C3)=CC=C1N1C2CCCC1CC2


Input: [1-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]-4-[(3S)-3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]piperidin-4-yl]methanol

Output: COC1=CC=C2N=CC(Cl)=C(C(F)CCC3(CO)CCN(CC#CC4=CC=C(Cl)C=C4F)CC3)C2=C1


Input: 6-[4-[2-[benzyl(pentyl)amino]propyl]phenoxy]pyridine-3-carboxamide

Output: CCCCCN(CC1=CC=CC=C1)C(C)CC1=CC=C(OC2=CC=C(C(N)=O)C=N2)C=C1


Input: (2S)-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-4-hydroxybutanoyl]amino]-5,5-dimethoxypentanoic acid

Output: COC(CCC(NC(=O)C(CCO)N1C(=O)C2=CC=CC=C2C1=O)C(=O)O)OC


Input: 2-methoxy-3-[3-(3-propylphenoxy)propoxy]phenol


Input: 5-(1-ethylpyrazol-3-yl)-1H-pyrazol-4-amine


Input: 1-[3-[(2S)-2-amino-3-(4-cyanophenoxy)propyl]-3-azabicyclo[3.2.1]octan-8-yl]-3-(3,4-difluorophenyl)-1-methylurea

Output: CN(C(=O)NC1=CC=C(F)C(F)=C1)C1C2CCC1CN(CC(N)COC1=CC=C(C#N)C=C1)C2


Input: 5-[1-[5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]piperidin-4-yl]pentanoic acid

Output: CC1CNC2=C(C=CC=C2S(=O)(=O)NC(CCCN=C(N)N)C(=O)N2CCC(CCCCC(=O)O)CC2)C1


Input: 1-[3-chloro-4-(2-chlorophenyl)sulfanylphenyl]-2-(3-chloro-4-naphthalen-2-ylsulfanylphenyl)hydrazine

Output: ClC1=CC(NNC2=CC=C(SC3=CC=CC=C3Cl)C(Cl)=C2)=CC=C1SC1=CC=C2C=CC=CC2=C1


Input: (3-bromophenyl)-ethenoxyborinic acid

Output: C=COB(O)C1=CC=CC(Br)=C1


Input: methyl (2S)-1-[(2S)-3-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propanoyl]-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylate;hydrochloride

Output: COC(=O)C1CC(C)=CCN1C(=O)C(CC1=CCCN(C(=N)N)C1)NS(=O)(=O)C1=CC=C2CCN(C)CC2=C1;Cl


Input: methyl 3-[4-[[(5-ethyl-5-tricyclo[5.2.1.03,9]decanyl)carbamoylamino]methyl]piperidine-1-carbonyl]benzoate

Output: CCC1(NC(=O)NCC2CCN(C(=O)C3=CC=CC(C(=O)OC)=C3)CC2)CC2CC3CC(C1)C3C2


Input: 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole

Output: COC1=C(C2=CC3=CC=CC=C3O2)C=CC=C1N1C=CN=C1


Input: 1-[4-[[2-pentyl-2-(1H-pyrrol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine

Output: CCCCCC1(CC2=CC=CN2)OCC(COC2=CC=C(N3CCNCC3)C=C2)O1


Input: (4-methylphenyl)sulfonylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

Output: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O;CC1=CC=C(S(=O)(=O)COC(=O)C(N)CC2=CN=CN2)C=C1


Input: 2-[4-[4-(4-methylphenyl)sulfonylbutyl]phenyl]acetic acid

Output: CC1=CC=C(S(=O)(=O)CCCCC2=CC=C(CC(=O)O)C=C2)C=C1


Input: methyl 3-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate;hydrochloride

Output: COC(=O)CCC1C2=CC=CC=C2CCN1C;Cl


Input: [4-[4-(4-butylcyclohexyl)-2-fluorophenyl]phenyl] (4-pentylphenyl) carbonate

Output: CCCCCC1=CC=C(OC(=O)OC2=CC=C(C3=CC=C(C4CCC(CCCC)CC4)C=C3F)C=C2)C=C1


Input: 1-[1-[2-(4-methylsulfonylanilino)piperidin-4-yl]piperidin-4-yl]hexan-1-one

Output: CCCCCC(=O)C1CCN(C2CCNC(NC3=CC=C(S(C)(=O)=O)C=C3)C2)CC1


Input: N-[[(3S,3aS)-6-[6-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-3-yl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide

Output: CC(=O)NCC1OC(=O)N2C3=CC=C(C4=CC=C(C5(C#N)C6CNCC65)N=C4)C=C3CC12


Input: (2S,3R,4R,5S,6R)-2-[7-chloro-6-[(4-ethoxyphenyl)methyl]-3,3-dimethyl-2H-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

Output: CCOC1=CC=C(CC2=CC(C3OC(CO)C(O)C(O)C3O)=C3C(=C2Cl)OCC3(C)C)C=C1


Input: benzyl N-[2-(4-hydroxy-1H-indol-3-yl)-2-oxoethyl]carbamate

Output: O=C(NCC(=O)C1=CNC2=CC=CC(O)=C12)OCC1=CC=CC=C1


Input: [2-(6-cyclohexyl-11-hydroxy-13-methyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-9,14,17-trien-8-yl)-2-oxoethyl] 2-methylpropanoate

Output: CC(C)C(=O)OCC(=O)C12OC(C3CCCCC3)OC1CC1C2=CC(O)C2C1CCC1=CC(=O)C=CC12C


Input: 1-[3-[butyl(ethyl)amino]propyl]-6-[(dibutylamino)methyl]-N-(3-methoxyphenyl)benzimidazol-2-amine

Output: CCCCN(CC)CCCN1C(NC2=CC=CC(OC)=C2)=NC2=CC=C(CN(CCCC)CCCC)C=C21


Input: (1R,2S,3S,4R,5'R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,15,16-triol

Output: CC1CCC2(OC1)OC1C(O)C3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C


Input: (3-amino-4-hydroxyphenyl) phenylsulfamoylformate

Output: NC1=CC(OC(=O)S(=O)(=O)NC2=CC=CC=C2)=CC=C1O


Input: N,N-bis[(1S)-1-phenylethyl]-8,10-dioxa-9-phosphatricyclo[9.4.0.02,7]pentadecan-9-amine


Output: C=CP(=O)(Br)Br


Input: 3-prop-2-enoxy-4-prop-2-enyl-2H-thiophen-5-one


Input: 4-bromo-5,6-dihydrocyclopenta[c]pyridin-7-one


Input: tert-butyl N-[2-[4-(2,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-yl]carbamate

Output: CC1=C(C2=CC=C(F)C=C2F)N=C(C(C)(C)NC(=O)OC(C)(C)C)S1


Input: 5-[1-chloro-2-(3-nitrophenyl)ethenyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Output: O=C(NCC1=CC=C(F)C=C1)C1=NN=C(C(Cl)=CC2=CC=CC([N+](=O)[O-])=C2)S1


Input: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-morpholin-4-yl-4-oxobut-2-enamide

Output: CN(CCOC1=CC=CC=C1F)C(=O)C=CC(=O)N1CCOCC1


Input: N-[3-(1H-imidazol-2-yl)phenyl]-2-(2H-indazol-3-yl)acetamide

Output: O=C(CC1=C2C=CC=CC2=NN1)NC1=CC=CC(C2=NC=CN2)=C1


Input: 1-ethylsulfonyl-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]piperidine-3-carboxamide

Output: CCS(=O)(=O)N1CCCC(C(=O)NN=CC2=CN(CC3=CC=C(F)C=C3)C3=CC=CC=C23)C1


Input: methyl 6-chlorosulfonyl-4-methylpyridine-2-carboxylate

Output: COC(=O)C1=CC(C)=CC(S(=O)(=O)Cl)=N1


Input: 15-fluoro-14-[3-(methylamino)pyrrolidin-1-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicos-19-ene-19-carboxamide


Input: N-benzyl-N-(2,3-dihydroinden-1-ylidenemethyl)-1-phenylmethanamine

Output: C(=C1CCC2=CC=CC=C12)N(CC1=CC=CC=C1)CC1=CC=CC=C1


Input: methyl (2S)-2-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]-3-(4-prop-2-enoxyphenyl)propanoyl]amino]pentanoyl]amino]pent-4-enoate

Output: C=CCOC1=CC=C(CC(NCC(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(CC=C)C(=O)OC)C(C)CC)C=C1


Input: 1-[(3-fluorophenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

Output: CN1CCN(CC2=NOC(C3CCC(=O)N(CC4=CC=CC(F)=C4)C3)=N2)CC1


Input: N-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-methylpiperidin-4-imine

Output: CN1CCC(=NN2CC3=CC=CC=C3CC3=CC=CC=C32)CC1


Input: 14-propan-2-yl-11-oxa-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene

Output: CC(C)C1=NC2=C(C3=C1CCCC3)C1=C(O2)C2=NN=CN2C=N1


Input: methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate

Output: COC(=O)C1=CC(Br)=CN=C1N1CCC(NC2CCCC2O)CC1


Input: (5S)-3-phenyl-1-propanoyl-5-[[4-[[4-(4,6,8-triphenyloctan-2-yl)phenyl]methoxy]phenyl]methyl]imidazolidine-2,4-dione

Output: CCC(=O)N1C(=O)N(C2=CC=CC=C2)C(=O)C1CC1=CC=C(OCC2=CC=C(C(C)CC(CC(CCC3=CC=CC=C3)C3=CC=CC=C3)C3=CC=CC=C3)C=C2)C=C1


Input: (3-ethoxy-3-oxopropyl)-(trimethylazaniumyl)azanide;hydrochloride

Output: CCOC(=O)CC[N-][N+](C)(C)C;Cl


Input: 2-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]benzonitrile


Input: 3-acetamido-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)benzamide

Output: CSCC(C)N(C)C(=O)C1=CC(NC(C)=O)=CC(C(F)(F)F)=C1


Input: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[1-(4-methylphenyl)ethylideneamino]triazole-4-carboxamide

Output: CC(=NNC(=O)C1=C(C)N(C2=NON=C2N)N=N1)C1=CC=C(C)C=C1


Input: 4-O-(4-heptoxycarbonylphenyl) 1-O-(4-methoxycarbonylphenyl) but-2-enedioate

Output: CCCCCCCOC(=O)C1=CC=C(OC(=O)C=CC(=O)OC2=CC=C(C(=O)OC)C=C2)C=C1


Input: 5-ethyl-N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]thiophene-2-carboxamide


Input: 3-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-enoic acid

Output: O=C(O)C=CC1=C(CSC2=NC3=CC=CC=C3S2)SC=C1


Input: 3-[1-(4-ethylphenyl)propylidene]pyrrolidine-2,5-dione


Input: 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine


Input: (3S,4S)-4-(dimethylamino)-1-[(1,5-dimethylindol-2-yl)methyl]pyrrolidin-3-ol

Output: CC1=CC=C2C(=C1)C=C(CN1CC(O)C(N(C)C)C1)N2C


Input: [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

Output: NC1=NC=C(C(=O)N2CCC(N3CCOCC3)CC2)C(C(F)(F)F)=N1


Input: N-[2-(2-formamidoethyldisulfanyl)ethyl]icosa-5,8,11,14,17-pentaenamide

Output: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCSSCCNC=O


Input: [(4R,7R)-5-ethenyl-7-hydroxy-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanone

Output: C=CC1CN2C(O)CC1CC2C(=O)C1=CC=NC2=CC=CC=C12


Input: prop-2-ynyl 3-(3-methylphenyl)propanoate

Output: C#CCOC(=O)CCC1=CC=CC(C)=C1


Input: N-[2-(4-methoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide


Input: 2-ethyl-2-(4-methylpentylamino)butanoic acid

Output: CCC(CC)(NCCCC(C)C)C(=O)O


Input: 6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbonitrile


Input: (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanamine


Input: (2S)-2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one


Input: 2-chloro-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine


Input: [6-ethyl-2-(2-methoxypropan-2-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine


Input: 5-hydroxy-N-[(4-methylsulfonylphenyl)methyl]pentanamide


Input: N-(4-hydroxy-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide


Input: N-[1-(3-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide


Input: 1-(4-bromothiophen-2-yl)-N-ethyl-2-methoxyethanamine


Input: 1-(4-bromothiophen-3-yl)-2-butan-2-ylsulfanylethanol


Input: 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-one


Input: 5-chloro-2-(2,5-dimethyl-4-nitrophenoxy)-3-fluoropyridine

Output: CC1=CC([N+](=O)[O-])=C(C)C=C1OC1=NC=C(Cl)C=C1F


Input: 2-chloro-5-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-thiazole


Input: 2-(but-3-enylamino)-3,3,3-trifluoro-2-methylpropanoic acid

Output: C=CCCNC(C)(C(=O)O)C(F)(F)F


Input: 2-ethyl-2-[(2,3,4-trifluorophenyl)carbamoylamino]butanoic acid

Output: CCC(CC)(NC(=O)NC1=CC=C(F)C(F)=C1F)C(=O)O


Input: 2-methyl-1-(1,3-thiazol-2-yl)butan-2-amine


Input: 3-methyl-1-(2-propan-2-yloxyethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione


Input: 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butane-1-thiol

Output: CCC(CS)CN(C)CC(F)(F)F


Input: [1-[(3-methylpyrazol-1-yl)methyl]cyclobutyl]methanethiol


Input: 4-[2-(3-chlorophenyl)-2-hydroxypropyl]phenol


Input: 6-amino-N-(oxan-4-yl)naphthalene-1-sulfonamide

Output: NC1=CC=C2C(S(=O)(=O)NC3CCOCC3)=CC=CC2=C1


Input: 3-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-4-amine


Input: 3-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(3-fluoro-4-methylphenyl)propan-1-one

Output: CC1=CC=C(C(=O)CCN(C)CC2=CSC(Br)=C2)C=C1F


Input: 4-[[1-(2-methylpropyl)cyclopentyl]methylamino]oxolan-3-ol


Input: [2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]cyclopentyl]methanol


Input: 4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol


Input: 3-[1-(2-methylphenyl)ethylamino]pyridazine-4-carbothioamide


Input: 4-chloro-2-methylsulfanyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine


Input: methyl 2-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]acetate

Output: COC(=O)CC1=CSC(C2=CC=CC(Cl)=C2Cl)=N1


Input: N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine


Input: 4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine


Input: 2-[2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol


Input: 4-chloro-2-cyclopropyl-6-(2,4-dimethoxyphenyl)-5-methylpyrimidine

Output: COC1=CC=C(C2=NC(C3CC3)=NC(Cl)=C2C)C(OC)=C1


Input: N-tert-butyl-4-(2,4-dichlorophenyl)-2,3-dimethylbutan-1-amine


Input: 4-[(5-chloro-2-fluorobenzoyl)amino]-3-methylbutanoic acid

Output: CC(CNC(=O)C1=CC(Cl)=CC=C1F)CC(=O)O


Input: 7-bromo-4-chloro-3,3-dimethyl-1H-indol-2-one


Input: cyclopentylmethyl 2,3-diamino-5-methylbenzoate

Output: CC1=CC(N)=C(N)C(C(=O)OCC2CCCC2)=C1


Input: (2,5-dichloro-4-methoxyphenyl)-(3-methoxyphenyl)methanol

Output: COC1=CC=CC(C(O)C2=CC(Cl)=C(OC)C=C2Cl)=C1


Input: 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)pyridin-4-amine


Input: N-(2-chloropyridin-4-yl)-3-piperidin-4-ylpropanamide


Input: N-[1-(1-benzofuran-2-yl)ethyl]-6-chloropyridin-2-amine


Input: 6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine


Input: 3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclohexan-1-amine


Input: 3-[(3,6-dichloropyridazin-4-yl)amino]pentanoic acid

Output: CCC(CC(=O)O)NC1=CC(Cl)=NN=C1Cl


Input: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]oxane-4-carboxylic acid

Output: CN1C=NN=C1SC1(C(=O)O)CCOCC1


Input: 2-(3-aminophenyl)-6-nitrosoimidazo[1,2-a]pyridin-5-amine


Input: [2-methyl-4-(1-methylindol-2-yl)furan-3-yl]methanamine


Input: 4-(methoxymethyl)-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide


Input: 4-amino-3,5-dichloro-N-(2-ethoxypyridin-3-yl)benzamide

Output: CCOC1=NC=CC=C1NC(=O)C1=CC(Cl)=C(N)C(Cl)=C1


Input: 2-[(2-bromo-4-fluorophenyl)methyl]-1,1-dimethylhydrazine


Input: 1-ethoxy-N-[1-(5-fluoropyridin-2-yl)ethyl]propan-2-amine


Input: 2-(1-cyclopropylethyl)-3H-imidazo[4,5-c]pyridine


Input: 2-(2,3-dichloroprop-2-enylamino)ethyl carbamate

Output: NC(=O)OCCNCC(Cl)=CCl


Input: 4-amino-4-(3,5-difluorophenyl)butanoic acid

Output: NC(CCC(=O)O)C1=CC(F)=CC(F)=C1


Input: ethyl 5-(1,1-difluoroethyl)-4-formyl-1H-pyrazole-3-carboxylate

Output: CCOC(=O)C1=NNC(C(C)(F)F)=C1C=O


Input: N-benzyl-1-methyl-5-phenylpiperidin-3-amine


Input: 2-(3-bromo-1-benzofuran-7-yl)pyrrolidine


Input: 1-methyl-8-(methylamino)-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ol


Input: [4-[(E)-2-cyano-2-(2-fluorophenyl)ethenyl]phenyl] 2-(2,4-dichlorophenoxy)propanoate

Output: CC(OC1=CC=C(Cl)C=C1Cl)C(=O)OC1=CC=C(C=C(C#N)C2=CC=CC=C2F)C=C1


Input: 2-[4-(benzotriazol-1-yl)butoxy]benzoic acid

Output: O=C(O)C1=CC=CC=C1OCCCCN1N=NC2=CC=CC=C21


Input: N-(2-methoxy-5-methylphenyl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide

Output: COC1=CC=C(C)C=C1NC(=O)CN1C(=O)OC2=CC=CN=C21


Input: (E)-N-[(1-methyl-4-oxo-5-phenylmethoxypyridin-2-yl)methyl]-3-(4-nitrophenyl)prop-2-enamide

Output: CN1C=C(OCC2=CC=CC=C2)C(=O)C=C1CNC(=O)C=CC1=CC=C([N+](=O)[O-])C=C1


Input: N-[2-(dimethylamino)ethyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide


Input: 7-chloro-2-propan-2-yl-1H-indole-3-carbaldehyde


Input: 3-chloro-7-methoxy-1-propan-2-ylindazole


Input: 2-[2-fluoro-5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N-methylanilino]acetic acid

Output: CN(CC(=O)O)C1=CC(CN2CCCCC2CCO)=CC=C1F


Input: 3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate

Output: O=C(O)C1=C(C2=CC=C(F)C=C2)OC2=CC=C([O-])C=C12


Input: N-(2-fluorophenyl)-2-[4-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)piperazin-1-yl]acetamide

Output: CC1=NN=C2C3=CC=CC=C3C(N3CCN(CC(=O)NC4=CC=CC=C4F)CC3)=NN12


Input: N-[(3S)-1-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,2-dioxoheptan-3-yl]cyclohexanecarboxamide;hydrochloride

Output: CCCCC(NC(=O)C1CCCCC1)C(=O)C(=O)NN=C1SCCN1C;Cl


Output: CC(=O)NC1=NC(C)=C(S(=O)(=O)N2CC3=CC4=C(C=C3CC2C(=O)NC(CC2=CC=C(C3=CC=C(C#N)C=C3)C=C2)C(=O)O)NC(=O)C(C2=CC=C(OCC3=CC=C(Cl)C(Cl)=C3)C=C2)O4)S1


Input: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononoxy)nonane

Output: CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F


Input: 2-(2-ethylsulfonylpropan-2-ylsulfonyl)butylphosphonic acid

Output: CCC(CP(=O)(O)O)S(=O)(=O)C(C)(C)S(=O)(=O)CC


Input: N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-(2-pyrrolidin-1-ylethylamino)-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylphenyl]-2,2,2-trifluoro-N-propan-2-ylacetamide

Output: CC1=CC=C(N(C(=O)C(F)(F)F)C(C)C)C=C1C1=NC(NCCN2CCCC2)=NC2=C1CNC(=O)N2C1=C(F)C=CC=C1F


Input: 3,4-diamino-6-[(E)-2-phenyl-1-(triazin-4-yl)ethenyl]-5-(triazin-4-yl)benzene-1,2-disulfonic acid

Output: NC1=C(N)C(S(=O)(=O)O)=C(S(=O)(=O)O)C(C(=CC2=CC=CC=C2)C2=CC=NN=N2)=C1C1=CC=NN=N1


Input: methyl 3-[carbamimidoyl(methyl)amino]propanoate

Output: COC(=O)CCN(C)C(=N)N


Input: hexadecyl-dimethyl-(3-sulfanylidenepropyl)azanium;bromide

Output: CCCCCCCCCCCCCCCC[N+](C)(C)CCC=S;[Br-]


Input: (2-bromopyridin-3-yl)-[2-(trifluoromethyl)phenyl]methanol


Input: methyl 2-[2-ethyl-6-(3-fluoro-2-hydroxy-4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]acetate

Output: C=CCOC1=CC(OCC=C)=C(C(=O)C2=CC=C(OC)C(F)=C2O)C(CC(=O)OC)=C1CC


Input: (4Z)-4-[(2,6-difluorophenyl)hydrazinylidene]-3H-pyrazole-2,3-diamine


Input: (3R)-3-(6-bromo-5-ethoxypyridin-3-yl)-N-methylazepan-1-amine


Input: (4-benzoyl-2,3,5,6-tetrachlorophenyl)-(4-tert-butyl-2,6-dimethylbenzoyl)-oxophosphanium

Output: CC1=CC(C(C)(C)C)=CC(C)=C1C(=O)[P+](=O)C1=C(Cl)C(Cl)=C(C(=O)C2=CC=CC=C2)C(Cl)=C1Cl


Input: (Z)-[4-[[3-[(2-chlorophenyl)methoxy]-5-methylphenoxy]methyl]piperidin-1-yl]methylidenehydrazine

Output: CC1=CC(OCC2=CC=CC=C2Cl)=CC(OCC2CCN(C=NN)CC2)=C1


Output: C=C(Cl)C(=O)NC1=NNC(C(=O)NC2=CNC(C(=O)NC3=CNC(C(=O)NC4=CNC(C(=O)NCCN=C(N)N)=C4C)=C3C)=C2C)=C1C


Input: [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(4R)-4-iodo-2-(1-methylpiperidin-3-yl)piperidin-1-yl]methanone

Output: CN1CCCC(C2CC(I)CCN2C(=O)C2CNCC23CCCC2=NC(Cl)=CC=C23)C1


Input: benzo[a]anthracen-1-yl-hydroxy-oxophosphanium

Output: O=[P+](O)C1=CC=CC2=CC=C3C=C4C=CC=CC4=CC3=C12


Input: tert-butyl N,N-bis[3-[N-(1-sulfanylethyl)anilino]propyl]carbamate

Output: CC(S)N(CCCN(CCCN(C1=CC=CC=C1)C(C)S)C(=O)OC(C)(C)C)C1=CC=CC=C1


Input: calcium;oxido-oxo-phosphooxyphosphanium;prop-2-en-1-ol


Input: N-(3,4-dimethyl-6-oxohexan-3-yl)prop-2-enamide

Output: C=CC(=O)NC(C)(CC)C(C)CC=O


Input: tert-butyl (E)-4-amino-3-tert-butyl-2-methylnon-2-enoate

Output: CCCCCC(N)C(=C(C)C(=O)OC(C)(C)C)C(C)(C)C


Input: 5-[bis(2-hydroxyethoxy)amino]pentan-2-ol

Output: CC(O)CCCN(OCCO)OCCO


Input: 3-[2-[(Z)-[3-(2-bicyclo[2.2.1]heptanyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-(3,5-dimethoxyphenyl)furan-3-yl]propyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate

Output: COC1=CC(OC)=CC(C2=CC(CCCOC(=O)CCCCNC(=O)OCC3C4=CC=CC=C4C4=CC=CC=C43)=C(C=C3SC(=S)N(C4CC5CCC4C5)C3=O)O2)=C1


Input: 4-[1-[(4-tert-butylcyclohexyl)-[2-(3,5-dichlorophenyl)-2-methyliminoacetyl]amino]-4-methylpentyl]benzoic acid

Output: CN=C(C(=O)N(C1CCC(C(C)(C)C)CC1)C(CCC(C)C)C1=CC=C(C(=O)O)C=C1)C1=CC(Cl)=CC(Cl)=C1


Input: 1-O-[2-[9-(1-hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]-2-methylpropyl] 2-O,3-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate

Output: CC1(C)CC(OC(=O)C(CC=O)C(CC(=O)OCC(C)(C)C2OCC3(COC(C(C)(C)CO)OC3)CO2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1


Input: [7-[amino(morpholin-4-yl)methyl]-5-methylquinolin-8-yl] 3,4,5-trimethoxybenzoate

Output: COC1=CC(C(=O)OC2=C3N=CC=CC3=C(C)C=C2C(N)N2CCOCC2)=CC(OC)=C1OC


Input: 1-N-[1-[4-[[4-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethenyl]-4-N,4-N-dimethylbenzene-1,4-diamine

Output: C=C(NC1=CC=C(N(C)C)C=C1)N1CCC(NC2=NC=CC(C3=C(C4=CC=C(C5C=CC=CC5)C=C4)N=C4SC=CN34)=N2)CC1


Input: 5-amino-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamothioyl)hydrazinyl]pyridine-3-carboxylic acid

Output: NC1=CC(C(=O)O)=CN=C1NNC(=S)NC1C2=CC=CC=C2CCC2=CC=CC=C21


Input: 2-chloro-N-[4-[2-[3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]phenyl]-3-oxopropyl]phenyl]-6-methylbenzamide

Output: CC1=CC=CC(Cl)=C1C(=O)NC1=CC=C(CC(C=O)C2=CC=CC(N(CC(C)C)C(=O)C(C)(C)C)=C2)C=C1


Input: (2S,3aS,5R,6aR)-5-ethyl-6a-hydroxy-2,3a,5-trimethyl-6H-furo[2,3-d][1,3]dioxole-2-carbaldehyde


Input: 2,6-bis[4-[(3R,5S,8S,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]hexanoic acid

Output: CC(CCC(=O)NCCCCC(NC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C)C(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C


Input: 3-methoxy-N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]benzenesulfonamide

Output: COC1=CC=CC(S(=O)(=O)NCC2=CC=C(C3=CNC(=O)C4=C3CCCC4)O2)=C1


Input: methyl 4-[1-(2,5-dioxo-1,4-dihydroimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexane-1-carboxylate

Output: COC(=O)C1CCC(C(C)N2C(=O)NC3=C2NC(=O)C=C3)CC1


Input: ethyl 5-chloro-1-(3-methylsulfonylpropyl)indole-2-carboxylate

Output: CCOC(=O)C1=CC2=CC(Cl)=CC=C2N1CCCS(C)(=O)=O