Input: 9-(4-carbazol-9-yl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-yl-1,3,5-triazin-2-yl)carbazole


Input: 5-[3-[(2,4,6-trifluorophenoxy)methyl]phenyl]-2H-triazole-4-carbonitrile


Input: 2-(methylamino)-1-[4-[2-[1-methyl-3-[(5-methylpyridin-2-yl)amino]cyclobutyl]oxy-5-(oxolan-3-yl)-2H-pyrazin-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone


Input: N'-[[2-(1,1-difluorobutyl)-4-[[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methylpyridin-3-yl]methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine


Input: 3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid

Output: C13H11F3N4O2


Input: [4-[4-[4-(4-methylphenyl)phenyl]phenyl]cyclohexyl]methylsilane


Input: 9-[3-[2-(diethylamino)ethylamino]prop-1-enyl]-8-nitroso-5H-thieno[2,3-c]quinolin-4-one


Input: 1-[3-(3-chloro-4-fluoroanilino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-en-1-one


Input: 4-(5-methyl-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,7,9,11-tetraen-3-yl)cyclohexan-1-one


Input: N,N-bis(2-methylphenyl)-5,12-diphenyloctacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(28),2(15),3,5,7,9,11,16,18,20(25),21,23,26-tridecaen-22-amine


Input: methyl 3-[6-ethyl-4-[4-methyl-3-[[6-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-6H-1,3-oxazin-2-yl]azetidine-1-carboxylate

Output: C29H30F3N5O5


Input: N-[1-[4-hydroxy-3-(1-pyrrolidin-3-yloxyethyl)phenyl]ethyl]acetamide


Input: N-[2-(2-cyclopropyl-5-methylimidazol-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide


Input: N-(4-chlorophenyl)-4-methyl-2-[(2R)-1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide


Input: (3R)-3-amino-6-chloro-2,3-dihydrochromen-4-one


Input: (4S)-N-[(2R)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide


Input: (1S,2R,6S,7S,8R,10S)-4-(4-methylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione


Input: (2S)-2-(3-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azepane


Input: N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide


Input: [(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone


Input: (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid

Output: C19H29NO2


Input: (2R)-2-[[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide


Input: (2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide


Input: 2-[1-[[(2R)-2-(4-chloropyrazol-1-yl)propanoyl]amino]cyclohexyl]acetic acid

Output: C14H20ClN3O3


Input: 3-(dimethylamino)propyl [(4R)-1-hydroxyhexadecan-4-yl] carbonate

Output: C22H45NO4


Input: (2S)-2-[(1S,2S,3R,4R,5R)-2,3,4,5,6-pentahydroxy-1-morpholin-4-ylhexyl]-1-azabicyclo[2.2.2]octan-3-one


Input: 6-[[(2S)-2-[(3-bromophenyl)methyl]-3-hydroxypropyl]amino]pyrimidine-4-carbonitrile


Input: tert-butyl (1S,4R)-5-(6-fluoropyridine-3-carbonyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

Output: C17H22FN3O3


Input: (5Z)-5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one


Input: N-[(3aR,7aS)-5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-3,4-dichloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide


Input: (3S)-1-(2,3-dichlorophenyl)-N-[4-(3-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide


Input: [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 3-[(1R,2R,6S,7R,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanoate

Output: C21H20Br3N3O6


Input: (3R)-N-[2-(4-methoxyphenyl)ethyl]-1-(2-methoxy-5-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide


Input: ethyl (2Z,5S)-2-[[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Output: C37H28BrN3O4S2


Input: (E)-N-(2-chlorophenyl)-2-cyano-3-[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide


Input: 5-[5-[(E)-[(4-chlorophenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]-2-methylbenzoic acid

Output: C20H16ClN3O4


Input: (2Z,5S)-2-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide


Input: 2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide


Input: N-(2,4-difluorophenyl)-1-(2-methoxy-4-piperidin-1-ylphenyl)methanimine


Input: (5E)-5-[[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione


Input: N-(4-fluorophenyl)-2-[3-[(E)-[3-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide


Input: N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzamide


Input: N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide


Input: 6-bromo-2-butyl-3-[(4-methoxyphenyl)methylideneamino]quinazolin-4-one


Input: 3,4-dichloro-N-[[5-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide


Input: 2-[4-[(Z)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]acetic acid

Output: C19H18IN3O6


Input: methyl 5-[[(5E)-5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]furan-2-carboxylate

Output: C24H16BrCl2NO6S


Input: N-[(4-cyclopropyl-2-methyl-5-prop-1-en-2-ylphenyl)methyl]but-1-en-2-amine


Input: 1-methyl-3-(2-methylpropyl)-2H-pyridin-2-ol


Input: 3,3,3-trifluoro-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one


Input: 4-[2-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,4-oxazepan-3-one


Input: (4S,4aS,7aS)-6-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrole-4-carboxamide;2,2,2-trifluoroacetic acid

Output: C21H28ClF3N2O5S


Input: N-[(2R)-6-amino-1-[[(2R)-1-[[(1S)-2-amino-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]benzamide


Input: 3,6-bis[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]xanthen-9-one


Input: 2-amino-1-[3-(1,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-4-ylmethyl)piperidin-1-yl]ethanone


Input: 1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone


Input: 2-[[1-(4-chloro-2-fluorobenzoyl)azepan-4-yl]-methylamino]acetic acid

Output: C16H20ClFN2O3


Input: 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium;chloride


Input: 3-[19-(7-oxabicyclo[4.1.0]heptan-3-yl)-9-[9-(6-oxabicyclo[3.1.1]heptan-3-yl)nonyl]nonadecyl]-7-oxabicyclo[4.1.0]heptane


Input: (2R,3R)-N,N'-bis[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide


Input: 3-[(Z)-5-methylidenehept-3-en-4-yl]-2-(2-methylpropyl)piperidine


Input: 2-chloro-N-methyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide


Input: [3-[2-[1-[2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-9-methoxy-1,5-dihydro-2,4-benzodioxepin-6-yl] methanesulfonate

Output: C25H26ClF3N4O7S2


Input: methyl (2S)-2-[3-[[(S)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate

Output: C11H21NO4S


Input: 4-[4-[[(E)-3-(3-bromofuran-2-yl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide


Input: methyl N-(5-ethyl-2-methylpyrazol-3-yl)carbamate

Output: C8H13N3O2


Input: (1S)-4-(hydroxymethyl)-2,3-dihydro-1H-isoindole-1-carboxylic acid

Output: C10H11NO3


Input: 2-(prop-2-enoylamino)-1,3-thiazole-4-carboxylic acid

Output: C7H6N2O3S


Input: 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butanoic acid

Output: C10H20N2O2


Input: N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide


Input: 5-(2-bromopropanoyl)-2-methylbenzoic acid

Output: C11H11BrO3


Input: 3-(1-methyl-1,2,4-triazole-3-carbonyl)-N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide


Input: 4-cyano-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-1-methylpyrrole-2-carboxamide


Input: N,N-bis[(3-tert-butyl-1,2-dihydrotriazol-5-yl)methyl]-1-[3-(3-fluoropropoxymethyl)-1,2-dihydrotriazol-5-yl]methanamine


Output: C53H90BrN7O13


Input: N-[(1R)-3-methoxy-1-phenylpropyl]-6,6-dimethyl-3-[[1-(trimethyl-lambda4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide


Output: C55H71N3O14S2


Input: (3E)-2-N-(cyclopropylmethyl)-3-[[4-[1-(2-ethylanilino)ethenyl]-2-methylphenyl]methylidene]-2-N-propylhexa-1,5-diene-2,5-diamine


Input: N-[(2R,3S)-3-(1,3-benzodioxol-5-yl)-1-hexyl-2-(4-methylsulfanylphenyl)-4-oxoazetidin-3-yl]-N-benzyl-3-methoxybenzamide


Input: (2E,4E)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-7-phenylhepta-2,4-dienal


Input: tris(diphenylphosphanylmethyl)azanium

Output: C39H37NP3+


Input: 3-oxo-3-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]propanenitrile


Input: N-[1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide


Input: 1-(benzenesulfonyl)-N-[1-(4-methoxyphenyl)ethyl]-2,3-dihydroindole-5-carboxamide


Input: 2-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]-(2-phenylethyl)amino]-N-methylpropanamide


Input: N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(3-chlorophenyl)methyl]-4-(2-fluoro-N-methylsulfonylanilino)butanamide


Input: 2-[benzyl-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-butyl-3-phenylpropanamide


Input: 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide


Input: 2-methoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide


Input: 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide


Input: tert-butyl N-methyl-N-[[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-4-yl]methyl]carbamate

Output: C21H30N4O2S


Input: 6-chloro-4-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-N-methylpyrimidine-4,5-diamine


Input: 5-(2-methylpyridin-3-yl)-3-[(1R,3R,8S)-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-1,2,4-oxadiazole


Input: N-(3-chloro-4-methylphenyl)-5-[4-(piperidine-1-carbonyl)pyrazolidin-3-yl]furan-2-sulfonamide


Input: N-(cyclooctylmethyl)oxolane-3-carboxamide


Input: 1-[(Z)-2-(bromomethyl)-3-methylbut-1-enyl]-3-chlorobenzene


Input: 3-[(4E)-5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylpropanoic acid

Output: C17H14N2O3S2


Input: (1-methyl-5-bicyclo[2.1.1]hexanyl)methanol


Input: 5-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]pyrazolidine-3-carboxamide


Input: 1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-fluorophenoxy)propan-2-ol


Input: N-(2-cyanoethyl)-6-(furan-2-yl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide


Input: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]propanamide


Input: (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]prop-2-enamide


Input: N-[4-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]phenyl]furan-2-carboxamide


Input: 2-(2-cyanophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide


Input: 2,2-dimethyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]propanamide


Input: 4-(6-amino-2-fluoropurin-9-yl)-N-(4,4,6,6-tetramethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexane-1-carboxamide


Input: 5-(9,9-dimethylfluoren-3-yl)-12-(4-naphthalen-2-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole


Input: 2-(2-chloro-4-fluorophenoxy)-N-[[(4E,6E,8E)-1,3-dioxonin-6-yl]methyl]butanamide


Input: 3-[5-[3-[5-[6-(ethylamino)pyridin-3-yl]-3-oxopent-1-en-2-yl]-4-(methylamino)phenyl]pyridin-3-yl]-1,1-dimethylurea


Input: dinonan-5-yl 10-[3-(dimethylamino)propyl-(9-hydroxy-9-nonan-5-yloxynonanoyl)amino]nonadecanedioate

Output: C60H118N2O7


Input: N'-[(Z)-1-hydroxyethyliminomethyl]ethanimidamide


Input: benzyl 3-[(5R)-3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanoate

Output: C21H21BrFNO5S


Input: ethyl 5-(3-methoxy-3-oxopropyl)-2-(trifluoromethyl)benzoate

Output: C14H15F3O4


Input: [2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (7E,9E,11E,13E,15E,17E)-icosa-7,9,11,13,15,17-hexaenoate

Output: C39H55O8P


Input: N-[(4Z)-4-methylsulfonylimino-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]octadecanamide


Input: 2-[5-fluoro-2-[6-[4-fluoro-2,6-bis[2-tri(propan-2-yl)silylethynyl]phenyl]pyrimidin-4-yl]phenyl]ethynyl-tri(propan-2-yl)silane


Input: 1,4-diazepan-1-yl-[2-(2-phenylethylsulfanyl)pyridin-3-yl]methanone


Input: (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide


Input: (2,3-diethyl-10-hexoxycarbonyloxyanthracen-9-yl) hexyl carbonate

Output: C32H42O6


Input: 2-[3-(benzylamino)phenyl]-N-hydroxy-2-phenylacetamide


Input: 2-methyl-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide


Input: N,N-dimethyl-2-[(3-nitro-9a,10-dihydro-4aH-acridin-9-ylidene)amino]ethanamine;dihydrochloride


Input: 2-(2-bromo-4-methylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide


Input: 2-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-methoxy-4-nitrophenol


Input: (1S,2R,6S,7R)-4-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione


Input: N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide


Input: 2-(2-hydroxyphenyl)-3,5-dihydro-1-benzazepin-4-one


Input: 2-hydroxyimino-2-(5-nitro-1H-1,2,4-triazol-3-yl)acetic acid

Output: C4H3N5O5


Input: dioxovanadium;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-5-ol


Input: N-[(4-phenyloxan-4-yl)methyl]-3-propan-2-yl-2-azaspiro[3.4]oct-6-ene-2-carboxamide


Input: 1-[2-(difluoromethoxy)benzoyl]-N-(1-methoxypropan-2-yl)pyrrolidine-2-carboxamide


Input: 4-hydroxy-5-[7-(4-hydroxy-3-methylbut-2-enyl)-1H-indole-3-carbonyl]-3-[2-(hydroxymethyl)-1H-indol-3-yl]thiophene-2-carboxylic acid

Output: C28H24N2O6S


Input: 2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxyethoxyiminomethyl]-4-methoxyphenol


Input: 3-[9-[3-[5-(2,3-dihydronaphthalen-1-yl)-4-naphthalen-1-ylnaphthalen-1-yl]phenyl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole


Input: 2-[4-methoxy-3-(methoxymethyl)phenyl]-6-(4-methyl-1,4-diazepan-1-yl)chromen-4-one


Input: 4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(3-thiophen-2-ylbenzoyl)amino]benzamide


Input: (4S,5R)-1-methyl-4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-5-pyridin-3-ylpyrrolidin-2-one


Input: N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide


Input: [(12Z,15Z)-34-[[(E)-1,3-dihydroxytetradec-4-en-2-yl]amino]-34-oxotetratriaconta-12,15-dienyl] docosanoate

Output: C70H133NO5


Input: [3-[(2-dodecanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate

Output: C56H99O11P


Input: N-(2-adamantylmethyl)-3-(aminomethyl)cyclohexan-1-amine


Input: (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,4S)-4-[4-(4-chlorophenyl)phenoxy]-1-[4-(cyclohexylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanone;2,2,2-trifluoroacetic acid

Output: C40H47ClF3N3O7S


Input: 1-propan-2-yl-5-[(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methyl]piperidin-2-one


Input: (2R,5S,7R,9aR)-1,1,4a,7-tetramethyl-2-phenylmethoxy-5-prop-2-enyl-7-[(3S)-3-trimethylsilyloxypent-4-enyl]-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulen-6-one


Input: 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one


Input: (2E,3Z)-2-[[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)phenyl]methylidene]hexa-3,5-dienenitrile


Input: 7-tert-butyl-12-[4-(4-methylpiperazin-1-yl)anilino]-2,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),5,9,11-tetraen-8-one


Input: tert-butyl N-methyl-N-[4-[2-methyl-6-[(2,3,3-trimethylpyrrolidine-1-carbonyl)amino]pyridin-3-yl]oxypyridin-2-yl]carbamate

Output: C25H35N5O4


Input: (2R,3S)-3-hydroxy-N-[(3S,4R)-4-hydroxy-2-methylhexan-3-yl]-2-nonyl-N'-phenylmethoxybutanediamide


Input: (6-cyano-5,7-difluoronaphthalen-2-yl) 2-fluoro-4-pentylbenzoate

Output: C23H18F3NO2


Input: 2-[2-(2-methoxyethoxy)ethoxy]octyl hydrogen carbonate

Output: C14H28O6


Input: N-(3-fluoro-4-phenylphenyl)quinazolin-4-amine


Input: 2-hydroxy-2,2-diphenylacetate;trihexyl(tetradecyl)azanium


Input: 2-quinolin-2-ylazetidin-3-amine;hydrochloride


Input: (2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3,5-difluoro-N-[2-[(2S)-5-oxo-1-pyrimidin-2-ylpyrrolidin-2-yl]acetyl]anilino)acetamide


Input: 3-[(2,5-dichlorophenyl)methyl]-2-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid

Output: C18H13Cl2FN2O2


Input: 4-[5-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-chloropyridine-2-carbonyl]amino]pyridin-2-yl]oxybenzoic acid

Output: C38H41ClN6O8


Input: 4-methyl-N,N-bis(2-methylpropyl)thiadiazole-5-carboximidamide


Input: triphenylazanium;borate

Output: C54H48BN3O3


Input: 2-butyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine


Input: 2-(4-bromo-3-methyl-2H-imidazol-1-yl)-1-thiophen-2-ylethanone


Input: 3-(1-azabicyclo[2.2.1]heptan-3-yloxy)-4-[(E)-but-2-enoxy]-1,2,5-thiadiazole


Input: 4-[4-[2-[6-[2-(4-cyano-3-fluorocyclohexyl)ethynyl]piperidin-3-yl]ethynyl]cyclohexyl]-2,6-difluorocyclohexane-1-carbonitrile


Input: tert-butyl 3-[(2-bromobenzoyl)amino]-2-diazo-3-phenylpropanoate

Output: C20H20BrN3O3


Input: 1-(1-deuterio-4,4-dimethylcyclohexyl)-4-methylbenzene


Input: N-[2-[6-(9H-carbazol-1-yl)-4-(3,5-ditert-butylphenyl)pyridin-2-yl]dibenzofuran-4-yl]-N-phenylpyridin-2-amine


Input: 1,3,5-trimethyl-2,6-bis(2,4,5-trimethylphenyl)pyridin-1-ium


Input: 2-[4,4,4-trifluoro-3-[1,1,1-trifluoro-4-(oxan-2-yloxy)butan-2-yl]oxybutoxy]oxane


Input: 4-(azepin-1-yl)-2-(6-fluoro-1-benzofuran-2-yl)quinoline-6-carboxylic acid

Output: C24H15FN2O3


Input: N-[2-ethyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[4-(1-ethylpyrazol-4-yl)-5-methylpyrimidin-2-yl]amino]benzamide


Input: N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-N-cyclohexyl-4-nitrobenzamide


Input: tert-butyl 2-tert-butyl-4-(1,3-dioxoisoindol-2-yl)piperidine-1-carboxylate

Output: C22H30N2O4


Input: 2-[[1-(1,3-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-7-methylindol-4-yl]-hydroxymethyl]-3H-benzimidazole-5-carbonitrile


Input: 6-fluoro-4,4-dimethyl-2,2-di(propan-2-yl)-1,3,2,4-benzodioxadisiline


Input: 1-chloro-2,3-dimethylbenzene;5-[1-(4-methylphenyl)ethyl]-1,2,4-oxadiazole


Input: (4R)-N-(2-aminoethyl)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide


Input: 1-(2,3-dimethylbut-2-enyl)-1-ethyl-3,3-dimethylurea


Input: N-[[(4S)-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-N-methyl-4-(4-methylphenoxy)benzenesulfonamide


Input: (5-bromopyrazolo[4,3-b]pyridin-1-yl)-iodophosphane


Input: N-(1-aminoethylidene)formamide;1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde


Input: chlorobenzene;5-chloro-2-[[(1R)-7-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxo-1H-isoindol-2-yl]methyl]benzoic acid

Output: C31H32Cl2FNO6


Input: 8-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]


Input: ethyl 2-[4-[1-(3-methyl-2-phenylmethoxyphenyl)cyclopenta[d]oxazin-4-yl]phenoxy]acetate

Output: C31H27NO5


Input: (2R,4R)-2-(4-chlorophenyl)-2-N-[2-[2-(dimethylamino)ethoxy]-4-morpholin-4-ylphenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide


Input: 6-[4-(hydroxyamino)phenoxy]-2,3-dihydroisoindol-1-one


Input: N-[[3-(4-chlorophenyl)-1-(cyclopropylmethyl)-2,2-dioxo-2lambda6-thia-1-azaspiro[4.4]non-3-en-4-yl]methyl]-N-ethylpropanamide


Input: 3-chloro-4-[1-[cyclohexylmethyl(methyl)amino]ethenyl]-N-methylaniline


Input: (4Z,6E)-2-amino-4-ethenyl-7-[(2-methylpropan-2-yl)oxy]octa-4,6-diene-1-sulfonic acid;(2S)-2-amino-3-(4-methoxyphenyl)propane-1-sulfonic acid

Output: C24H40N2O8S2


Input: (Z)-N'-ethyl-N'-methyl-N-(4-methylphenyl)ethene-1,2-diamine


Input: N-ethyl-N-methanethioylformamide

Output: C4H7NOS


Input: 4-amino-3-[[4-[[(3Z)-5-[(2,4-diaminophenyl)diazenyl]hexa-1,3,5-trien-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid

Output: C36H34N10O15S5


Input: 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-[4-[4-(cycloheptylamino)sulfanylphenyl]piperazin-1-yl]propan-1-one


Input: 2-[[bis[2-[(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)methyl-[(2,4,6-trihydroxy-3,5-dimethylphenyl)methyl]amino]ethyl]amino]methyl]-4,6-dimethylbenzene-1,3,5-triol


Input: (2S)-6-[(3-methoxycyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene


Input: methyl 2-(2,4,5-trifluorophenyl)pyrimidine-4-carboxylate

Output: C12H7F3N2O2


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


Input: [5-[2-[[5-(2-bromoethyl)thiophen-2-yl]methyl-methylamino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane


Input: N-[[3-[4-[[2-(2-chloroprop-2-enyl)hydrazinyl]methylideneamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide


Input: 4-N-ethyl-4-N-[2-(oxiran-2-ylmethoxy)ethyl]benzene-1,4-diamine


Input: 2-(4-fluorophenyl)-N-methyl-5-[3-[N-methyl-2-(methylamino)anilino]phenyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide


Input: 2-[[3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]pyridin-2-yl]amino]acetaldehyde


Input: ethyl 4-(3,4-dimethylpyrazol-1-yl)cyclohexane-1-carboxylate

Output: C14H22N2O2


Input: ethane;7-methyl-3-methylidene-10H-pyrido[2,3-b][1,8]naphthyridine-2,8-diimine


Input: 9-fluoro-6-methyl-8-(4-methylpentoxy)benzo[c][2,7]naphthyridin-5-one


Input: (2S)-N-methoxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide


Input: 2-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-trien-5-yl]phenyl]-4,6-diphenylpyrimidine


Input: 3-[(2S,3R)-3-(2-aminophenyl)-1-hydroxybutan-2-yl]oxypentan-3-ol


Output: C36H43FN4O5


Input: 9-(9,9-diphenylfluoren-2-yl)-2-(2-ethylphenyl)carbazole;1-methyl-3,5-diphenylbenzene;toluene


Input: 6-pyrrolidin-1-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfanylimidazo[1,2-a]pyridine-3-carboxamide


Input: [7-methyl-5-(trifluoromethyl)-2-(2,7,7-trimethyl-4,6-dihydro-[1,3]oxazolo[5,4-c]pyridin-5-yl)cyclohepta-1,3,6-trien-1-yl]methylhydrazine


Input: (3aS,6R)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan


Input: (3E,4E)-3,4-bis(prop-2-enylidene)oxolane-2,5-dione;ethane


Input: [(5S,8R,9S,12S,13R,14S,17R)-7-acetyloxy-12-hydroxy-10,13-dimethyl-17-[5-(oxetan-3-yl)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Output: C31H50O6


Input: 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-piperidin-2-ylethyl)pyridine-2-carboxamide


Input: dimethyl 4-[3-[3,4-bis(methoxycarbonyl)phenyl]-1-adamantyl]benzene-1,2-dicarboxylate

Output: C30H32O8


Input: 4-[(3R)-3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide


Input: 3-[5-[9-(3,4-dihydronaphthalen-2-yl)-10-[(E)-2-(2-ethylphenyl)ethenyl]-6,7-dihydroanthracen-2-yl]pyridin-2-yl]-4a,8a-dihydroquinoline


Input: 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoropyridin-2-yl)ethenyl]-1,3,4-oxadiazole


Input: N-[(9S,10R)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-9-yl]-8-methylnaphthalene-1-carboxamide


Input: 3,3-bis(sulfanyl)-N-(2H-triazol-4-ylmethyl)propanamide


Input: 7-[1-[(2S)-2,4-diamino-4-oxobutanoyl]azetidin-3-yl]oxy-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

Output: C16H20BN3O7


Input: 2-[2-(3-ethylpent-1-en-3-yl)-4,6-difluorophenyl]pyridine


Input: 15-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]-8,10-diphenoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione


Input: 1,5-di(propan-2-yl)imidazole-4-carboxamide


Input: 6-N-naphthalen-1-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine


Input: [2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methanol


Input: hexadec-1-enyl(methoxy)phosphinic acid

Output: C17H35O3P


Input: N-[(4-cyanophenyl)methyl]-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide


Input: iridium;4-phenyl-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenylpyridin-3-yl]silane


Input: tris(2-ethylhexyl)azanium;tetrafluoroborate


Input: 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methylpyrrole-2-carboxylate


Input: (6R)-7-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Output: C16H15ClN2O5S2


Input: (7R,8R,9S,10R,13S,14S)-7-ethynyl-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one


Input: (E)-2-[4-[2-(dimethylamino)ethylcarbamoyl]-2-[(2-hydroxy-3-methoxybenzoyl)amino]-3H-1,3-thiazol-2-yl]but-2-enedioate


Input: 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(5-methylpyrazol-1-yl)pyridine-2-carboxylate


Input: N-[[2-(aminomethyl)-3,4-di(propan-2-yl)-1-(2,2,2-trichloroacetyl)-2H-pyridin-6-yl]methyl]-2,2,2-trichloroacetamide


Input: N-[5-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]benzenesulfonamide


Input: naphthalen-1-yl-(3-pentoxyphenyl)methanone


Input: 2-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylate


Input: 2-[4-[(7R)-8-(butylamino)-7-methyl-8-oxooctyl]-2-(3-methoxypropoxy)phenoxy]acetic acid

Output: C25H41NO6


Input: 1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]pyridin-3-yl]-4-phenylmethoxypyridin-2-one


Input: 4-[(3R)-3-aminopyrrolidin-1-yl]-N-ethyl-5,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-2-carboxamide


Input: (E)-N,N-dimethyl-3-(5-methylcyclohepta-1,3-dien-6-yn-1-yl)prop-2-enamide


Input: N-[2-[2-(5-formamido-1,2-oxazol-3-yl)cyclopropyl]phenyl]acetamide


Input: 5-[2-(4,4-difluoropiperidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]-2-methyl-3H-isoindol-1-one


Input: 7-[2,2-dichloro-1-(ethyldisulfanyl)ethyl]tridecane


Input: 1-propan-2-yloxycarbonyloxyethyl 3-[2-[[4-[N-(1-aminopropan-2-yloxycarbonyl)carbamimidoyl]phenyl]carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-[(cyclopropylmethylamino)-hydroxymethyl]pyridine-2-carboxylate

Output: C38H46N6O10


Input: N-(1-naphthalen-2-ylethylidene)-N'-[1-(3-pyridin-3-ylphenyl)ethenyl]-9,9'-spirobi[fluorene]-2-carboximidamide


Input: methanol;zinc

Output: C4H16O4Zn


Output: C53H60N8O10


Input: 4-[2-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]but-3-yn-1-ol


Input: ethenyl 3-[4-[(9-methyl-7-prop-2-enoylsulfanyl-9H-fluoren-2-yl)sulfanylcarbonyl]phenoxy]propanoate

Output: C29H24O5S2


Input: [(2Z)-2-cyano-2-[[3,5-dichloro-4-[3-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylindol-5-yl]oxyphenyl]hydrazinylidene]acetyl]carbamic acid

Output: C29H23Cl2N5O6S


Input: ethyl 2-[8-chloro-2-[(3,3-dimethylcyclobutyl)amino]-9-methylsulfanyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetate

Output: C23H26ClN3O3S


Input: 3-amino-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-5-[4-[(4-phenylpyridin-2-yl)carbamoyl]phenyl]imidazole-4-carboxylic acid

Output: C32H34N6O5


Input: methyl 4-cyclopropyl-2-oxo-1,3-dihydroindole-6-carboxylate

Output: C13H13NO3


Input: (Z)-1-[amino-[[6-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-2-yl]methyl]amino]-6-propan-2-yloxyhex-1-en-2-amine


Input: 1-chloro-3-ethynyl-2-(2-methylpropoxy)benzene


Output: C164H221N26O41P


Input: 10-[8-[4-(benzenesulfonyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzoxasilin-2-yl]-9,9-dimethylacridine


Input: 6-aminobicyclo[2.2.2]octan-2-ol;hydrochloride


Input: N-[[3-[4-(5-chloropyridin-3-yl)-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2-methylpropanamide


Input: 2-(1,3-oxazole-4-carbonyl)-10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one


Input: 5-chloro-6-(piperidine-1-carbonyl)-1,3-dihydroindol-2-one


Input: 10-amino-6-chloro-1-ethyl-N-(4-piperidin-4-yloxypiperidin-3-yl)-4,9-diazatricyclo[6.5.0.04,12]tridecane-11-carboxamide


Input: 4-naphthalen-2-yl-2-phenyl-9-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline


Input: 2,6-dimethyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyridin-3-amine


Input: methyl 4-[[2-[1-acetyloxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]butanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoate

Output: C37H55N5O7S


Input: 3-(4-tert-butyl-2-phenylphenyl)-2-dibenzothiophen-4-ylbenzo[e]benzimidazole


Input: (1S,5R,13R,18S)-4-(cyclopropylmethyl)-10-methoxy-12-oxa-4,15-diazapentacyclo[9.7.1.01,13.05,18.07,19]nonadeca-7(19),8,10-trien-18-ol


Input: 1-(4-fluoro-3-methylphenyl)-2,6-dimethylindole-3-carbonitrile


Input: [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-pentadecanoyloxy-3-tridecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-octadecanoyloxypropan-2-yl] 18-methylnonadecanoate

Output: C75H146O17P2


Input: [(1S)-2-oxo-1-phenylpropyl] (E)-octadec-9-enoate

Output: C27H42O3


Output: C135H194N28O21S2


Input: (1S,4R)-3-bromo-4,7,7-trimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde;(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one


Input: 5-[3,5-bis(2-deuteriopropan-2-yl)-4-methylphenyl]-2-methylpyrimidine


Input: 1-bromo-4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]benzene


Input: (2S,5R)-2-phenyl-1,3-oxazolidine-5-carboxylic acid

Output: C10H11NO3


Input: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;pyridine-3-carboxylic acid

Output: C30H39N9O4S2+2


Input: 1-[3-iodo-2-[(4-methoxyphenyl)methoxymethyl]phenyl]ethanone


Input: (16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-N-(1-methylbenzimidazol-2-yl)-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide


Input: methyl 3-[6-methoxy-5-[2-oxo-2-[6-(trifluoromethyl)pyridin-2-yl]ethyl]indazol-2-yl]-2-methylpropanoate

Output: C21H20F3N3O4


Input: tris(dimethylamino)-octylphosphanium;bromide

Output: C14H35BrN3P


Input: 1-(5,6-dibromo-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide


Input: methane;1-methyl-3-[2-[5-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]pyrrolidin-3-ylidene]ethylidene]-2H-pyrrole


Input: N-[(3R,6S,14S)-3-[3-(1-aminoethenylamino)propyl]-14-ethyl-6-methyl-2,5,13-trioxo-azacyclotetradec-6-yl]-2-methylpropanamide


Input: 3-chlorobenzenediazonium;hexafluorophosphate


Output: C99H104LiN35O12


Input: 4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one


Input: 2-methyl-1-nitro-4-(trifluoromethoxy)benzene;1-nitro-4-(trifluoromethoxy)-2-(trifluoromethylsulfanyl)benzene


Input: (2-amino-3,4,5,6-tetramethylphenyl)-phenylmethanediamine;chloride


Output: C77H123NO42


Output: C87H115BrN6O16S4


Input: 1-[(4-bromophenyl)methylsulfonyl]-2-nitrobenzene


Output: C104H152Cl2N20O7P2


Input: 6-[(5,8-dimethyl-4-oxo-2,3-dihydro-1H-naphthalen-2-yl)methyl]-5-ethylnonane-2,4-dione;hexane;propane


Input: 5,12-dioxahexacyclo[7.6.1.02,8.04,6.010,15.011,13]hexadecane;ethaneperoxoic acid;tetracyclo[6.5.1.02,7.09,13]tetradeca-4,10-diene

Output: C30H40O5


Input: (3S,4R,6R)-3-[(2S,4R,5S)-3-acetamido-6-ethyl-5-hydroxy-4-methyloxan-2-yl]oxy-4-hydroxy-6-methoxy-5-methyloxane-2-carboxylic acid;methane

Output: C19H35NO9


Input: (2S)-8-[(2E)-cyclooct-2-en-1-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid

Output: C31H37NO6


Output: C190H307N39O98


Input: N-[(4-chlorophenyl)methyl]-N-ethyl-4,4,4-trifluorobutan-1-amine


Input: 2-(3-bromo-2-methylphenyl)-5-ethyl-6-(trifluoromethyl)-1,3-benzoxazole


Input: 2-[1-[2,2-bis(diethoxyphosphoryl)ethyl]indol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetamide


Input: 4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)pyridin-2-yl]-[[4-(5-methoxy-6-methylpyridin-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid

Output: C35H42N4O5


Input: 1-[4-(3-methylbut-1-en-2-yl)phenyl]propan-1-one


Input: tert-butyl N-[3-[(5-decyl-1,3-benzoxazol-2-yl)amino]propyl]carbamate

Output: C25H41N3O3


Input: (3aR,6R,7aR)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-(hydroxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one


Input: [(1'R,2S,5'R,7'S,11'R,12'R,13'S,14'S)-1',11'-diacetyloxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-13'-yl] benzoate

Output: C31H38O8


Input: (3S,3aR,4aR,8aR,9aR)-3,8a-dimethyl-5-methylidene-3,3a,4,4a,9,9a-hexahydrobenzo[f][1]benzofuran-2,6-dione


Input: 4-[2-[2-butyl-3-(hydroxymethyl)-2H-furan-5-id-5-yl]ethyl]-2-[2-hydroxy-2-(4-propan-2-ylpyrrol-2-ylium-2-yl)ethoxy]phenol


Input: (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-6-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]hexanoic acid

Output: C32H38N2O6


Input: (4E,7R,8S,9R,10E,12R)-16-(2,6-dioxopiperidin-4-yl)-7,9-dihydroxy-8,10,12-trimethyl-13-oxohexadeca-4,10-dienoic acid

Output: C24H37NO7


Input: 1-[4-(8-but-3-enoxy-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methoxypyrimidin-2-yl]-N-ethylethanamine


Input: N-(cyclohexylmethyl)-N-[(4-ethenylcyclohepta-1,3,6-trien-1-yl)methyl]ethanamine


Input: 3-(2-phenylethenyl)-3a,7a-dihydro-1,2-benzoxazole


Input: [2-(2,4-dioxopyrimidin-1-yl)-5-(hydroxymethyl)-3-[6-[[2-(2-methylhexadecanoyloxy)acetyl]amino]hexoxy]-2,3-dihydrofuran-4-yl]oxy-hydroxy-oxophosphanium


Input: 4-butoxy-5-butyl-N-ethyl-6-methylpyrimidin-2-amine


Input: (Z,3R,4R)-N,4-diethyl-6-hydroxy-3-methylhex-5-en-1-amine oxide

Output: C11H23NO2


Input: tert-butyl 3-[C-(2-amino-3,3,3-trifluoroprop-1-enyl)-N-(4-bromophenyl)carbonimidoyl]oxyazetidine-1-carboxylate

Output: C18H21BrF3N3O3


Input: N-ethyl-3-(2-ethylpyrimidin-5-yl)-1-[4-(3-fluoro-4-methylpyridin-2-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine


Input: 3-aminopropyl [2-methyl-3-[(9-methyl-4-oxo-2,3-dihydro-1H-carbazol-3-yl)methyl]imidazol-1-ium-1-yl]methyl carbonate

Output: C23H29N4O4+


Input: 3-(1-methylpyrazol-4-yl)-6-prop-1-en-2-yloxy-5,6-dihydroquinoline


Input: 3-[5-(3-chloro-5-fluorophenyl)pentanoyl]-5-methyl-1-phenylpyrrolidin-2-one


Output: C34H47FN5O11P


Input: 2-(8-methylnaphtho[1,2-b][1]benzothiol-9-yl)-4,6-di(phenanthren-2-yl)-1,3,5-triazine


Input: 2-amino-5-(1-amino-3-methyliminoprop-1-en-2-yl)-N-[(3R)-1-[6-(piperidin-4-ylamino)naphthalene-2-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide


Input: [(4E,8E,12E)-2-[[(12Z,15Z,18Z)-hexacosa-12,15,18-trienoyl]amino]-3-hydroxypentacosa-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate

Output: C56H103N2O6P


Input: [3-hydroxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] octatriacontanoate

Output: C61H116O5


Input: (4E,8E,12E)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]octadeca-4,8,12-triene-1-sulfonic acid

Output: C38H61NO5S


Output: C72H119NO10


Input: [(E)-3-hydroxy-2-[[(16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-tetraconta-16,19,22,25,28,31,34,37-octaenoyl]amino]nonadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Output: C64H113N2O6P


Input: (2-henicosanoyloxy-3-undecanoyloxypropyl) (22Z,25Z,28Z)-hexatriaconta-22,25,28-trienoate

Output: C71H132O6


Input: [(Z)-3-[(11E,14E)-heptadeca-11,14-dienoyl]oxy-2-[[(E)-tetracos-15-enoyl]amino]hexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Output: C62H117N2O7P


Input: [3-[(13Z,16Z)-docosa-13,16-dienoxy]-2-[(Z)-hexadec-9-enoyl]oxypropyl] icosanoate

Output: C61H114O5


Input: 2-[[(Z)-3-[(E)-hexacos-17-enoyl]oxy-2-[[(4E,7E,10E,13E,16E)-nonadeca-4,7,10,13,16-pentaenoyl]amino]octadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium


Input: 2-[hydroxy-[(Z)-2-[[(10E,13E,16E)-nonadeca-10,13,16-trienoyl]amino]-3-triacontanoyloxyoctadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium


Input: 7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole


Input: 1-methyl-5-[3-(1-methyltetrazol-5-yl)propyl]tetrazole


Input: N,N-dimethyl-1-[4-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]phenyl]methanamine


Input: N,N,11,20-tetraphenyl-9-oxa-11-aza-1-borahexacyclo[10.10.1.02,10.03,8.016,23.017,22]tricosa-2(10),3,5,7,12,14,16(23),17(22),18,20-decaen-14-amine


Input: 5,8-di(propan-2-yl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene


Input: [3-[(Z)-heptadec-9-enoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-hexatriaconta-12,15,18,21,24,27,30,33-octaenoate

Output: C74H118O6


Output: C99H168O16P2


Input: methyl 2-[1-(2-chlorophenyl)indol-4-yl]acetate

Output: C17H14ClNO2


Input: 3-(2-methyl-2-propan-2-yloxypropoxy)azetidine


Input: 2-[5-cyclobutyl-1-(3-hydroxy-2,2-dimethylpropyl)triazol-4-yl]acetonitrile


Input: 5-(2-chloropyridin-3-yl)-1H-pyrazol-4-amine


Input: 2-[1-(2-chloro-6-methylpyridin-4-yl)cyclopropyl]-2-hydroxyacetic acid

Output: C11H12ClNO3


Input: methyl 5-(2-aminoacetyl)-2-methylfuran-3-carboxylate

Output: C9H11NO4


Input: tert-butyl N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)carbamate

Output: C13H26N2O3


Input: (1,3-dioxoisoindol-2-yl) 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxylate

Output: C16H11NO4S2


Input: (4-chloro-2-oxabicyclo[2.1.1]hexan-1-yl)methanol


Input: 5-(3-fluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrazin-4-one


Input: 5-[3-(dimethylamino)propyl-methylamino]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid

Output: C26H33N3O5


Input: ethyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate

Output: C10H17NO2


Input: 10-(2,6-dimethylphenyl)-5-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyridin-4-yl]benzo[b][1,4]benzazaborinine;platinum


Input: methyl (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate

Output: C12H20N2O3


Input: 4-hydroxy-N-(1H-indol-7-ylmethyl)thiophene-2-carboxamide


Input: 1-(2,2-dimethyl-1,3-dihydroindol-3-yl)-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]urea


Input: N-(3-benzamidocyclobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide


Input: N-[4-[3-(5-bromopyrimidin-2-yl)piperidine-1-carbonyl]phenyl]-N-methylprop-2-enamide


Input: N-[3-(cyanomethyl)phenyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide


Input: 3-chloro-8-[(1-methylpyrazol-4-yl)methoxy]-5-prop-1-en-2-ylisoquinoline


Input: 7,8-bis[(4-carboxy-2,5-dihydroxybenzoyl)amino]bicyclo[2.2.2]octa-1,3,5-triene-2-carboxylic acid

Output: C25H18N2O12


Input: 2-(3-methylbut-1-en-2-yl)imidazo[1,2-a]pyridine


Input: 4-(1-fluoroethyl)-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine


Input: 7'-(4-ethyl-N-(4-ethylphenyl)anilino)-2'-[(E)-2-(4-ethyl-N-(4-ethylphenyl)anilino)prop-1-enyl]-3'-methylspiro[2-benzofuran-3,4'-chromene]-1-one


Input: 5-cyclopent-2-en-1-ylidene-3-phenylcyclohept-3-en-1-imine


Input: 2-(difluoromethoxy)-6-(2-methylbutan-2-yl)pyridine


Input: 11-dibenzothiophen-3-yl-8-(7,9-diphenylcarbazol-3-yl)benzo[a]carbazole


Input: iridium;2-[7-methyl-1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridin-3-yl]germane


Input: 5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-propan-2-ylpyridin-2-one


Input: (2R)-N-[(4-cyclohexylpyridin-2-yl)methyl]-N-(1-oxo-2H-phthalazin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carboxamide


Input: 1-[(2,4-dichlorophenyl)methyl]-N-(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)triazole-4-carboxamide


Input: 1-[(1-acetylpyrrolidin-3-yl)methyl]-1-methyl-3-(5-phenoxypyrimidin-2-yl)urea


Input: N-[2-[5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl(methyl)amino]ethylsulfonyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide


Input: 1-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]-3-(3-hydroxyphenyl)propan-1-one


Input: 1-[(3aS,4R,6aR)-4-phenyl-2-(quinoline-8-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone


Input: 1-[(3aS,4R,6aR)-2-(4-hydroxycyclohexanecarbonyl)-4-(4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone


Input: tert-butyl N-[(3S)-1-benzyl-3-(3,3-dicyano-2-phenylprop-2-enyl)-2-oxoindol-3-yl]carbamate

Output: C31H28N4O3


Input: 5-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)naphthalen-1-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine


Input: N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(3-triphenylsilylphenyl)phenyl]carbazol-4-amine


Input: 2-ethoxy-N-[[(1R,8R,9S)-6-oxo-11-(2H-triazole-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]acetamide


Input: 4-bromo-1-(2-methoxyethyl)indole-3-carbaldehyde


Input: 3-(2-benzoylanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione