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What is the SMILES notation for methyl (2S)-2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate ? | COC(=O)C(N)CC1=CC=C(F)C=C1OC | |
Convert the IUPAC name of a molecule 4,4,5,5-tetramethyl-2-[(Z)-4-methylsulfonylbut-1-enyl]-1,3,2-dioxaborolane into SMILES representation. | CC1(C)OB(C=CCCS(C)(=O)=O)OC1(C)C | |
Can you give the SMILES notation of the molecule 3-chloro-N-(4-fluorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide ? | O=C(NC1=CC=C(F)C=C1)C1SC2=CC=CC=C2C1Cl | |
What is the SMILES notation for [4-(N-(4-bromophenyl)anilino)phenyl]boronic acid ? | OB(O)C1=CC=C(N(C2=CC=CC=C2)C2=CC=C(Br)C=C2)C=C1 | |
Could you provide the SMILES for ethyl (4S)-4-[[6-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate ? | CCOC(=O)N1CSCC1C(=O)NC1=NN2C=C(C3=CC=CC=C3COC)C=CC2=N1 | |
Could you provide the SMILES for 3-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]butanamide ? | CC(C)CC(=O)NC1=CN=CC(B2OC(C)(C)C(C)(C)O2)=C1 | |
4-[2,5-diamino-4-(4-carboxy-3-hydroxyphenyl)phenyl]-2-hydroxybenzoic acid The above is the IUPAC name of a molecule. Write its SMILES notation. | NC1=CC(C2=CC=C(C(=O)O)C(O)=C2)=C(N)C=C1C1=CC=C(C(=O)O)C(O)=C1 | |
Can you tell me the SMILES representation for the molecule (3R,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride ? | Cl;O=C(O)C1CN(CC2=CC=CC=C2)CC1C(F)(F)F | |
Can you give the SMILES notation of the molecule 3-[5-[2-[[(3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carbonyl]amino]phenyl]-2-methoxyphenyl]propanoic acid ? | COC1=CC=C(C2=CC=CC=C2NC(=O)C2CCCN(C(=O)OCC3C4=CC=CC=C4C4=CC=CC=C43)C2)C=C1CCC(=O)O | |
N-[6-(2-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylsulfonylacetamide The above is the IUPAC name of a molecule. Write its SMILES notation. | CSC1=CC=CC=C1C1=CN2N=C(NC(=O)CS(C)(=O)=O)N=C2C=C1 | |
Can you tell me the SMILES representation for the molecule 2-methyl-1,5,6,7-tetrahydrocinnolin-3-one ? | CN1NC2=CCCCC2=CC1=O | |
What is the SMILES representation for 5-(4,4-difluorocyclohexen-1-yl)pyridin-3-amine ? | NC1=CN=CC(C2=CCC(F)(F)CC2)=C1 | |
Convert the IUPAC name of a molecule 1-[(3aR)-3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-2-imidazol-1-ylethanone into SMILES representation. | COC12CCC(OC3=CC=CC=N3)CC1N(C(=O)CN1C=CN=C1)CC2 | |
What is the SMILES notation for 3-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one ? | CC(C)NC1=NC=C(CN2CC3CCC(C2)N(CC2=CSC=N2)C3=O)C=N1 | |
The IUPAC name of a certain molecule is [3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone . Can you provide its SMILES representation? | COC1=CC=C2NC(C(=O)N3CC(O)C(CC4=CC(C)=NO4)C3)=CC2=C1 | |
What is the SMILES representation of the molecule with IUPAC name [3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone ? | CC1=NN(C2=NC(C(=O)N3CC(O)C(CC4=CC=NC=C4)C3)=CS2)C(C(F)(F)F)=C1 | |
Please write the SMILES representation of the molecule N-[4-(2-pyridin-2-ylethenyl)phenyl]-2,7-diazaspiro[4.5]decane-7-carboxamide . | O=C(NC1=CC=C(C=CC2=CC=CC=N2)C=C1)N1CCCC2(CCNC2)C1 | |
What is the SMILES representation of the molecule with IUPAC name 4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide ? | COC1=CC=C(C2C(C(=O)NCC3=CC=CN=C3)OCC(=O)N2C2CC2)C=C1 | |
What is the SMILES notation for 8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl-(1-propan-2-ylpyrazol-3-yl)methanone ? | CC(C)N1C=CC(C(=O)N2CCC3OCC4=CN=NN4C3C2)=N1 | |
For the molecule with (4S)-4-benzyl-1-(cyclopent-3-ene-1-carbonyl)-3-hydroxypiperidine-4-carboxylic acid as the IUPAC name, what is the corresponding SMILES representation? | O=C(C1CC=CC1)N1CCC(CC2=CC=CC=C2)(C(=O)O)C(O)C1 | |
What is the SMILES notation for (4S)-4-benzyl-3-hydroxy-1-[3-(2-methylphenyl)propanoyl]piperidine-4-carboxylic acid ? | CC1=CC=CC=C1CCC(=O)N1CCC(CC2=CC=CC=C2)(C(=O)O)C(O)C1 | |
2-amino-N-(3-chloro-4-propoxyphenyl)-2-phenylacetamide The above is the IUPAC name of a molecule. Write its SMILES notation. | CCCOC1=CC=C(NC(=O)C(N)C2=CC=CC=C2)C=C1Cl | |
Can you tell me the SMILES representation for the molecule (4S)-1-[(3,5-dimethoxyphenyl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid ? | CCCC1(C(=O)O)CCN(CC2=CC(OC)=CC(OC)=C2)CC1O | |
The IUPAC name of a certain molecule is 1-(4-hydroxy-1-quinolin-2-ylpyrrolidin-3-yl)-N,N-dimethylmethanesulfonamide . Can you provide its SMILES representation? | CN(C)S(=O)(=O)CC1CN(C2=CC=C3C=CC=CC3=N2)CC1O | |
Please write the SMILES representation of the molecule N-[2-(3-chlorophenoxy)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-ethylpropanamide . | CCN(CCOC1=CC=CC(Cl)=C1)C(=O)CCC1NC(=O)NC1=O | |
Can you tell me the SMILES representation for the molecule [6-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone ? | CC(C)CC1=NOC(C(=O)N2CC3CCC2CN(C(=O)C2=CC=NC=C2)C3)=C1 | |
Please write the SMILES representation of the molecule 1-(3-methoxypropyl)-6-(6-oxo-1H-pyridazine-3-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one . | COCCCN1C(=O)CCC2CN(C(=O)C3=NNC(=O)C=C3)CCC21 | |
Convert the IUPAC name of a molecule 2-(3-hydroxypyrrolidin-1-yl)-1-methyl-N-(3-pyrazol-1-ylpropyl)benzimidazole-5-carboxamide into SMILES representation. | CN1C(N2CCC(O)C2)=NC2=CC(C(=O)NCCCN3C=CC=N3)=CC=C21 | |
Convert the IUPAC name of a molecule (3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-[3-(trifluoromethyl)phenyl]methanone into SMILES representation. | CS(=O)(=O)N1CC2CCC(C1)N(C(=O)C1=CC=CC(C(F)(F)F)=C1)C2 | |
What is the SMILES representation for 2-amino-3-hydroxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one ? | CC(C)C1=CC(C(F)(F)F)=NC(N2CCN(C(=O)C(N)CO)CC2)=N1 | |
Can you tell me the SMILES representation for the molecule 1-[1-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-4-thiophen-2-ylbutan-1-one ? | O=C(CCCC1=CC=CS1)N1CCN(CCO)C2CS(=O)(=O)CC21 | |
What is the SMILES notation for 6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;methyl N-[2,3-dihydroxy-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]sulfamate ? | CC(CO)NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN(C2=CN(C)N=C2)C1=O;COS(=O)(=O)NC1CC(NC2=CC=NC3=CC(C4=CC=CC(SC(F)(F)F)=C4)=NN23)C(O)C1O | |
Could you provide the SMILES for 3-[4-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazol-4-yl]phenyl]propanoic acid ? | CC(C)(C)OC(=O)N1CCC(CN2C=C(C3=CC=C(CCC(=O)O)C=C3)C=N2)CC1 | |
Can you give the SMILES notation of the molecule (3aS,4S,6aR)-2-[(2-fluoro-3-methylphenyl)methyl]-4-(3-fluorophenyl)-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide ? | CC1=CC=CC(CN2CC3CN(C(=O)N(C)C)C(C4=CC=CC(F)=C4)C3C2)=C1F | |
What is the SMILES notation for 2-[(3aS,4S,6aR)-5-acetyl-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4,6-dimethylpyridine-3-carboxylic acid ? | CC(=O)N1CC2CN(C3=NC(C)=CC(C)=C3C(=O)O)CC2C1C1=CC=CC=C1C | |
Please identify the SMILES representation of the molecule named (10S,15R)-19-cyclopropyl-17,20-dioxo-13-propanoyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3,5,7(26),21,23-hexaene-23-carboxamide . | CCC(=O)N1CCC2OCC3=CC=CC(=C3)OC3=CC(C(=O)NCCC4=NC(C5=CC=CC=N5)=NO4)=CC(=C3)C(=O)N(C3CC3)CC(=O)NC2C1 | |
The IUPAC name of a certain molecule is N-(4-ethoxy-6-methylpyrimidin-2-yl)-3-(pyrrolidin-3-ylmethyl)benzamide . Can you provide its SMILES representation? | CCOC1=CC(C)=NC(NC(=O)C2=CC=CC(CC3CCNC3)=C2)=N1 | |
(1R,8R,9S)-8-(hydroxymethyl)-11-(2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one The above is the IUPAC name of a molecule. Write its SMILES notation. | CC1=C(C(=O)N2CC3CC(C2)C(CO)N2C3=CC=CC2=O)C2=C(CCCC2=O)O1 | |
What is the SMILES representation for 4-methoxy-N-(2-methoxyethyl)-3-[[1-(2-methylfuran-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide ? | COCCNC(=O)C1=CC=C(OC)C(CC2CCN(C(=O)C3=C(C)OC=C3)C2)=C1 | |
What is the SMILES notation for (3aS,4R,6aR)-2-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide ? | COC1=CC(N2CC3CN(C(=O)N(C)C)C(C4=CC=CC=C4C)C3C2)=NC=N1 | |
Can you tell me the SMILES representation for the molecule (3R,8R)-6-(4-hydroxy-3,5-dimethoxybenzoyl)-14-methoxy-2,21-dioxa-6,9,24-triazapentacyclo[24.2.2.111,15.116,20.03,8]dotriaconta-1(29),11(32),12,14,16(31),17,19,26(30),27-nonaene-10,23-dione ? | COC1=CC=C2C=C1C1=CC=CC(=C1)OCC(=O)NCC1=CC=C(C=C1)OC1CCN(C(=O)C3=CC(OC)=C(O)C(OC)=C3)CC1NC2=O | |
What is the SMILES representation of the molecule with IUPAC name 4-[2-[2-(6,7-dimethoxy-4-methylquinolin-2-yl)-6-methoxyphenoxy]ethyl]morpholine ? | COC1=CC2=NC(C3=CC=CC(OC)=C3OCCN3CCOCC3)=CC(C)=C2C=C1OC | |
What is the SMILES notation for N-[[(1R,8R,9S)-11-(1-methylpyrazole-3-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]butanamide ? | CCCC(=O)NCC1C2CC(CN(C(=O)C3=NN(C)C=C3)C2)C2=CC=CC(=O)N21 | |
Please identify the SMILES representation of the molecule named 2-[4-[(1-ethylpyrrolidin-3-yl)methyl]phenyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)acetamide . | CCN1CCC(CC2=CC=C(CC(=O)NCC3=NNC4=C3CCCCC4)C=C2)C1 | |
(3aS,6aS)-5-(1,3-benzothiazole-6-carbonyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is the IUPAC name of a molecule. Please give its SMILES representation. | CC1=CN(CCNC(=O)C23COCC2CN(C(=O)C2=CC=C4N=CSC4=C2)C3)N=N1 | |
The IUPAC name of a certain molecule is 13-fluoro-3-(1H-pyrrole-2-carbonyl)-11,23-dioxa-3,19-diazapentacyclo[22.3.1.16,10.112,16.02,7]triaconta-1(28),6,8,10(30),12,14,16(29),24,26-nonaen-18-one . Can you provide its SMILES representation? | O=C1CC2=CC=C(F)C(=C2)OC2=CC=C3C(=C2)CCN(C(=O)C2=CC=CN2)C3C2=CC=CC(=C2)OCCCN1 | |
Can you tell me the SMILES representation for the molecule (10S,13R)-4-(4,6-dimethylpyrimidine-5-carbonyl)-9,10,16-trimethyl-13-(2-methylpropyl)-1,4,9,12,15,17-hexazabicyclo[12.3.0]heptadeca-14,16-diene-8,11-dione ? | CC1=NN2CCN(C(=O)C3=C(C)N=CN=C3C)CCCC(=O)N(C)C(C)C(=O)NC(CC(C)C)C2=N1 | |
For the molecule with N-[[(1R,2S,8R,9S)-11-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide as the IUPAC name, what is the corresponding SMILES representation? | CC(=O)NCC1C2CC(CN(C3=NC=C(C)C(N(C)C)=N3)C2)C2CCCC(=O)N21 | |
Please write the SMILES representation of the molecule 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-3-ylmethyl)benzamide . | COC1=CC=C(C(=O)NC2=NC=C(C)S2)C=C1CC1CCNC1 | |
Could you provide the SMILES for N-cyclopentyl-4-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]benzamide ? | CN(C)S(=O)(=O)N1CCC(CC2=CC=C(C(=O)NC3CCCC3)C=C2)C1 | |
What is the SMILES representation for 1-[(3aS,4R,6aR)-2-(2-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone ? | CC(=O)N1CC2CN(C3=NC(C)=NC4=C3NC=C4)CC2C1C1=CC=CC=C1 | |
What is the SMILES representation of the molecule with IUPAC name 13-fluoro-3-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-11,23-dioxa-3,19-diazapentacyclo[22.3.1.16,10.112,16.02,7]triaconta-1(28),6,8,10(30),12,14,16(29),24,26-nonaen-18-one ? | CC(C)C1=C(C(=O)N2CCC3=CC4=CC=C3C2C2=CC(=CC=C2)OCCCNC(=O)CC2=CC(=C(F)C=C2)O4)N=CO1 | |
Can you give the SMILES notation of the molecule (3aS,4R,6aR)-2-(2,6-dimethylpyridine-3-carbonyl)-4-(3-fluorophenyl)-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide ? | CC1=CC=C(C(=O)N2CC3CN(C(=O)N(C)C)C(C4=CC=CC(F)=C4)C3C2)C(C)=N1 | |
Could you provide the SMILES for (9R,14R)-18-fluoro-3-methoxy-11-(pyridazine-3-carbonyl)-15,25-dioxa-8,11,22-triazapentacyclo[24.3.1.12,6.116,20.09,14]dotriaconta-1(30),2,4,6(32),16,18,20(31),26,28-nonaene-7,23-dione ? | COC1=CC=C2C=C1C1=CC=CC(=C1)OCC(=O)NCC1=CC(=CC(F)=C1)OC1CCN(C(=O)C3=CC=CN=N3)CC1NC2=O | |
Could you provide the SMILES for [(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone ? | O=C(C1=CC=CC=C1N1C=NC=N1)N1CCC(O)(C2=CC=CC=C2)C(N2CCCC2)C1 | |
Please write the SMILES representation of the molecule [(3aS,4R,6aR)-5-methylsulfonyl-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4,6-dimethylpyrimidin-5-yl)methanone . | CC1=NC=NC(C)=C1C(=O)N1CC2CN(S(C)(=O)=O)C(C3=CC=CC=C3)C2C1 | |
Please identify the SMILES representation of the molecule named N-[(4R,11S,14R)-4-benzyl-2,5,12-trioxo-14-propan-2-yl-16-thia-3,6,13,18-tetrazabicyclo[13.2.1]octadeca-1(17),15(18)-dien-11-yl]-1,5-dimethylpyrazole-4-sulfonamide . | CC1=C(S(=O)(=O)NC2CCCCNC(=O)C(CC3=CC=CC=C3)NC(=O)C3=CSC(=N3)C(C(C)C)NC2=O)C=NN1C | |
Convert the IUPAC name of a molecule 1-[(3R,4S)-4-(dimethylamino)-3-hydroxy-4-phenylpiperidin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one into SMILES representation. | CC1=NC(CCC(=O)N2CCC(C3=CC=CC=C3)(N(C)C)C(O)C2)=CS1 | |
Could you provide the SMILES for 1-[2-[(3S,3aS,6aR)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]pyrrolidin-2-one ? | CC1=CC=CC=C1C1C2CN(CCN3CCCC3=O)CC2CN1C | |
Please identify the SMILES representation of the molecule named 6-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid . | CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1CCC2=C(C1)NN=C2C(=O)O | |
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide The above is the IUPAC name of a molecule. Write its SMILES notation. | COC1=CC=C(CCC2=CC(C)=C(C(=O)NC3=C(C)N(CCO)N=C3C)C(=O)O2)C=C1 | |
Can you tell me the SMILES representation for the molecule (1R,6S,8R)-N-cyclohexyl-3-[2-(2-phenylimidazol-1-yl)acetyl]-3-azabicyclo[4.2.0]octane-8-carboxamide ? | O=C(NC1CCCCC1)C1CC2CCN(C(=O)CN3C=CN=C3C3=CC=CC=C3)CC21 | |
What is the SMILES representation for N-[[(1R,2S,8R,9S)-11-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide ? | COC1=CNC(CN2CC3CC(C2)C(CNC(C)=O)N2C(=O)CCCC32)=CC1=O | |
Please identify the SMILES representation of the molecule named (3R,4S)-4-phenyl-3-pyrrolidin-1-yl-1-(quinolin-2-ylmethyl)piperidin-4-ol . | OC1(C2=CC=CC=C2)CCN(CC2=CC=C3C=CC=CC3=N2)CC1N1CCCC1 | |
What is the SMILES representation of the molecule with IUPAC name 4-methyl-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-piperidin-4-ylpyran-3-carboxamide ? | CC1=C(C(=O)NC2=CC=CC(N3CCNC3=O)=C2)C(=O)OC(C2CCNCC2)=C1 | |
2-amino-4-[3-[[5-(3-oxopiperazine-1-carbonyl)pyridin-3-yl]methyl]pyrrolidin-1-yl]-1H-pyrimidin-6-one The above is the IUPAC name of a molecule. Write its SMILES notation. | NC1=NC(N2CCC(CC3=CN=CC(C(=O)N4CCNC(=O)C4)=C3)C2)=CC(=O)N1 | |
The IUPAC name of a certain molecule is (1R,2S,8R,9S)-11-(2,3-dihydro-1H-indene-2-carbonyl)-8-[(dimethylamino)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one . Can you provide its SMILES representation? | CN(C)CC1C2CC(CN(C(=O)C3CC4=CC=CC=C4C3)C2)C2CCCC(=O)N21 | |
The IUPAC name of a certain molecule is (9R,14R)-18-fluoro-3-methoxy-11-(2-methyl-1,3-benzoxazole-6-carbonyl)-15,25-dioxa-8,11,22-triazapentacyclo[24.3.1.12,6.116,20.09,14]dotriaconta-1(30),2,4,6(32),16,18,20(31),26,28-nonaene-7,23-dione . Can you provide its SMILES representation? | COC1=CC=C2C=C1C1=CC=CC(=C1)OCC(=O)NCC1=CC(=CC(F)=C1)OC1CCN(C(=O)C3=CC=C4N=C(C)OC4=C3)CC1NC2=O | |
2-[(1R,8R,9S)-8-(hydroxymethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(2-methoxyphenyl)methyl]acetamide The above is the IUPAC name of a molecule. Write its SMILES notation. | COC1=CC=CC=C1CNC(=O)CN1CC2CC(C1)C(CO)N1C2=CC=CC1=O | |
Could you provide the SMILES for 2-(dimethylamino)-N-[(3R,4S)-3-ethyl-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-4-yl]acetamide ? | CCC1CN(C(=O)C2=CN=C3SC=CN3C2=O)CCC1NC(=O)CN(C)C | |
Can you tell me the SMILES representation for the molecule 3-chloro-5-(5-ethoxy-2-fluorophenyl)aniline ? | CCOC1=CC=C(F)C(C2=CC(N)=CC(Cl)=C2)=C1 | |
Convert the IUPAC name of a molecule 3-chloro-2-fluoro-5-(1-methylimidazol-4-yl)-N'-[(1-propan-2-ylsulfonylazetidin-3-yl)methylsulfonyl]benzohydrazide into SMILES representation. | CC(C)S(=O)(=O)N1CC(CS(=O)(=O)NNC(=O)C2=CC(C3=CN(C)C=N3)=CC(Cl)=C2F)C1 | |
Can you give the SMILES notation of the molecule (2R)-2-amino-3-[(4-sulfanylidene-1H-pyridin-2-yl)methylsulfanyl]propanoic acid ? | NC(CSCC1=CC(=S)C=CN1)C(=O)O | |
3-(5-butylimidazo[4,5-c]pyridin-2-yl)benzonitrile The above is the IUPAC name of a molecule. Write its SMILES notation. | CCCCN1C=CC2=NC(C3=CC=CC(C#N)=C3)=NC2=C1 | |
For the molecule with (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-... | CC(C)CC(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC1=CN=CN1)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)NC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=CC=C1)... | |
What is the SMILES representation for (E)-3-[4-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoroanilino]pyrimidin-4-yl]oxy-3,5-dimethylphenyl]prop-2-enenitrile ? | CC1=CC(C=CC#N)=CC(C)=C1OC1=CC=NC(NC2=CC=C(N3CCS(=O)(=O)CC3)C(F)=C2)=N1 | |
What is the SMILES representation of the molecule with IUPAC name 2,3,4,6-tetradeuterio-5-(2,3,3-trideuteriopyrrolidin-2-yl)pyridine ? | C1=CN=CC(C2CCCN2)=C1 | |
The IUPAC name of a certain molecule is tert-butyl 4-hydroxyazocane-1-carboxylate . Can you provide its SMILES representation? | CC(C)(C)OC(=O)N1CCCCC(O)CC1 | |
(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;(3R,4S)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine is the IUPAC name of a molecule. Please give its SMILES representation. | CC1=CC=C(C(=O)OC(C(=O)O)C(OC(=O)C2=CC=C(C)C=C2)C(=O)O)C=C1;CC1=CC=C(C(=O)OC(C(=O)O)C(OC(=O)C2=CC=C(C)C=C2)C(=O)O)C=C1;COCCN1CC(N)C(C2=CC=CC(F)=C2)C1 | |
(5-propan-2-yl-3-azabicyclo[3.1.1]heptan-1-yl)methanol is the IUPAC name of a molecule. Please give its SMILES representation. | CC(C)C12CNCC(CO)(C1)C2 | |
Please write the SMILES representation of the molecule (2S)-N-(2-methylnaphthalen-1-yl)pyrrolidine-2-carboxamide . | CC1=CC=C2C=CC=CC2=C1NC(=O)C1CCCN1 | |
What is the SMILES representation for magnesium;methyl (3R,8Z,12Z,13Z,19Z,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R)-3,7,11-trimethyldodec-2-enoxy]propyl]-23-aza-7,24,25-triazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),5(26),8,10,13,15,17,19-octaene... | C=CC1=C2C=C3[N-]C(=C(CC)C3=CO)C=C3[N-]C4=C(C(C(=O)OC)C(=O)C4=C3C)C3NC(=CC(=C1C)[N-]2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)C;[Mg+2] | |
Please identify the SMILES representation of the molecule named 2-(1-adamantyl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole . | C#CCSC1=NN=C(C23CC4CC(CC(C4)C2)C3)O1 | |
The IUPAC name of a certain molecule is ethyl 9-(3,4-dimethoxyphenyl)-8-oxo-4-prop-2-ynyl-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxylate . Can you provide its SMILES representation? | C#CCN1C2=C(C(=O)CCC2)C(C2=CC=C(OC)C(OC)=C2)N2N=CC(C(=O)OCC)=C12 | |
5-(5-chloro-2-methylphenyl)-3,4-dihydro-2H-pyrrole is the IUPAC name of a molecule. Please give its SMILES representation. | CC1=CC=C(Cl)C=C1C1=NCCC1 | |
The IUPAC name of a certain molecule is 5,11-diethyl-2,2-difluoro-8-(4-methoxy-2-methylphenyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene . Can you provide its SMILES representation? | CCC1=C(C)C2=C(C3=CC=C(OC)C=C3C)C3=C(C)C(CC)=C(C)N3[B-](F)(F)[N+]2=C1C | |
Convert the IUPAC name of a molecule 5-[3-(4-bromophenyl)propyl]-1,3,4-thiadiazol-2-amine into SMILES representation. | NC1=NN=C(CCCC2=CC=C(Br)C=C2)S1 | |
What is the SMILES notation for [2-(3-fluorophenyl)cyclopropyl]methanamine;dihydrochloride ? | Cl;Cl;NCC1CC1C1=CC=CC(F)=C1;NCC1CC1C1=CC=CC(F)=C1 | |
Please identify the SMILES representation of the molecule named 2-(dichloromethyl)-1-ethylimidazole . | CCN1C=CN=C1C(Cl)Cl | |
What is the SMILES representation for 2-(1-bromoethenyl)-1-methylpyrrole ? | C=C(Br)C1=CC=CN1C | |
Convert the IUPAC name of a molecule methyl 5-methyl-3-naphthalen-2-yl-1,2-oxazole-4-carboxylate into SMILES representation. | COC(=O)C1=C(C)ON=C1C1=CC=C2C=CC=CC2=C1 | |
Could you provide the SMILES for 5-bromo-3-fluoro-1H-indol-7-amine ? | NC1=CC(Br)=CC2=C1NC=C2F | |
Please identify the SMILES representation of the molecule named 2-[1-(2-chloro-4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane . | C=C(B1OC(C)(C)C(C)(C)O1)C1=CC=C(F)C=C1Cl | |
What is the SMILES representation for ethyl 5-methyl-3-(5-methylpyridin-2-yl)-1,2-oxazole-4-carboxylate ? | CCOC(=O)C1=C(C)ON=C1C1=CC=C(C)C=N1 | |
ethyl 3-(2-bromo-3,6-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate The above is the IUPAC name of a molecule. Write its SMILES notation. | CCOC(=O)C1=C(C)ON=C1C1=C(F)C=CC(F)=C1Br | |
Convert the IUPAC name of a molecule ethyl 5-hydroxy-2-(2,4,5-trifluorophenyl)-1-benzofuran-3-carboxylate into SMILES representation. | CCOC(=O)C1=C(C2=CC(F)=C(F)C=C2F)OC2=CC=C(O)C=C12 | |
methyl 3-(3-iodo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxylate The above is the IUPAC name of a molecule. Write its SMILES notation. | COC(=O)C1=C(C)ON=C1C1=CC=CC(I)=C1C | |
2-(3-chloro-2-methoxyphenyl)guanidine is the IUPAC name of a molecule. Please give its SMILES representation. | COC1=C(Cl)C=CC=C1N=C(N)N | |
For the molecule with 2-[2,6-dibromo-4-(trifluoromethoxy)phenyl]guanidine as the IUPAC name, what is the corresponding SMILES representation? | NC(N)=NC1=C(Br)C=C(OC(F)(F)F)C=C1Br | |
For the molecule with methyl 2-oxo-3-(2-phenylmethoxyphenyl)propanoate as the IUPAC name, what is the corresponding SMILES representation? | COC(=O)C(=O)CC1=CC=CC=C1OCC1=CC=CC=C1 |
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