id
int64
0
300k
molecules
dict
ground_truth
stringlengths
7
2.47k
messages
listlengths
3
3
298,179
{ "selfies": "[O][=P+1][C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][O][Ring1][=C]", "smiles": "O=[P+]1Cc2c(ccc3ccccc23)OO1" }
1H-benzo[f][1,2,3]benzodioxaphosphinin-2-ium 2-oxide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "1H-benzo[f][1,2,3]benzodioxaphosphinin-2-ium 2-oxide", "role": "assistant" } ]
298,180
{ "selfies": "[C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][Br]", "smiles": "Cn1cc(C(F)(F)F)nc1-c1ccc(OC(F)(F)F)cc1Br" }
2-[2-bromo-4-(trifluoromethoxy)phenyl]-1-methyl-4-(trifluoromethyl)imidazole
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "2-[2-bromo-4-(trifluoromethoxy)phenyl]-1-methyl-4-(trifluoromethyl)imidazole", "role": "assistant" } ]
298,181
{ "selfies": "[C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][O][C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][C][O][C][=C][Ring1][#Branch2][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O]", "smiles": "COC(=O)CC(C)(O)CC(=O)OCC1OC(Oc2ccc(C=CCO)cc2OC)C(O)C(O)C1O" }
1-O-methyl 5-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methyl] 3-hydroxy-3-methylpentanedioate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "1-O-methyl 5-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methyl] 3-hydroxy-3-methylpentanedioate", "role": "assistant" } ]
298,182
{ "selfies": "[C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][S][S][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Ring2][Branch1][=C][=O]", "smiles": "CC(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O" }
(13R,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "(13R,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide", "role": "assistant" } ]
298,185
{ "selfies": "[O][=C][Branch1][C][O][C][C][S][C][C][O][C][O][C][C][Branch1][#Branch2][C][S][C][C][C][=Branch1][C][=O][O][O][C][Branch2][=N][=Branch1][O][C][C][Branch1][#Branch2][C][S][C][C][C][=Branch1][C][=O][O][O][C][Branch2][O][#Branch2][O][C][C][Branch1][#Branch2][C][S][C][C][C][=Branch1][C][=O][O][O][C][Branch2][=Branch2][=C][O][C][C][Branch1][#Branch2][C][S][C][C][C][=Branch1][C][=O][O][O][C][Branch2][Branch2][C][O][C][C][Branch1][#Branch2][C][S][C][C][C][=Branch1][C][=O][O][O][C][Branch2][=Branch1][=Branch1][O][C][C][Branch1][#Branch2][C][S][C][C][C][=Branch1][C][=O][O][O][C][Branch2][Ring2][#Branch2][O][C][C][Branch1][#Branch2][C][S][C][C][C][=Branch1][C][=O][O][O][C][Branch1][#C][O][C][Ring2][#Branch1][=Branch2][C][Branch1][C][O][C][Ring2][#Branch1][#Branch2][O][C][Branch1][C][O][C][Ring2][Ring1][Ring2][O][C][Branch1][C][O][C][Ring2][Ring2][Ring2][O][C][Branch1][C][O][C][Ring2][Branch1][Ring2][O][C][Branch1][C][O][C][Ring2][=Branch1][Ring2][O][C][Branch1][C][O][C][Ring2][#Branch1][Ring2][O][C][Branch1][C][O][C][Ring2][Branch2][Ring2][O][C][Branch1][C][O][C][Ring2][=Branch2][Ring2][O]", "smiles": "O=C(O)CCSCC1OC2OC3C(CSCCC(=O)O)OC(OC4C(CSCCC(=O)O)OC(OC5C(CSCCC(=O)O)OC(OC6C(CSCCC(=O)O)OC(OC7C(CSCCC(=O)O)OC(OC8C(CSCCC(=O)O)OC(OC9C(CSCCC(=O)O)OC(OC1C(O)C2O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O" }
3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R)-10,15,20,25,30,35,40-heptakis(2-carboxyethylsulfanylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methylsulfanyl]propanoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R)-10,15,20,25,30,35,40-heptakis(2-carboxyethylsulfanylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methylsulfanyl]propanoic acid", "role": "assistant" } ]
298,186
{ "selfies": "[C][C][Branch2][Ring1][=Branch1][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][C][Branch1][C][C][C][C][C][=C][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][Ring2][Ring1][P][Ring1][S]", "smiles": "CC1(COC2OC(CO)C(O)C(O)C2O)CCCC2(C)C3CC=C4C(=O)OCC4C=C3CCC12" }
(1R,2S,6R,7S,12S)-2,6-dimethyl-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-14-oxatetracyclo[8.8.0.02,7.012,16]octadeca-10,16-dien-15-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "(1R,2S,6R,7S,12S)-2,6-dimethyl-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-14-oxatetracyclo[8.8.0.02,7.012,16]octadeca-10,16-dien-15-one", "role": "assistant" } ]
298,187
{ "selfies": "[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][C][Ring1][Branch2][Branch1][Ring1][O][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][Ring1][O][Ring1][P][C][C][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][C][Ring1][=Branch2]", "smiles": "CCC1(CC)C(=O)N2N(C1=O)C13CCC2(OC)C2Oc4c(OC)ccc5c4C21CCN(C)C3C5" }
18,18-diethyl-11,15-dimethoxy-5-methyl-13-oxa-5,16,20-triazaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11-triene-17,19-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "18,18-diethyl-11,15-dimethoxy-5-methyl-13-oxa-5,16,20-triazaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11-triene-17,19-dione", "role": "assistant" } ]
298,188
{ "selfies": "[C][C][C][N][C][Branch2][Ring1][#Branch2][N][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][P][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][=Branch2][=O]", "smiles": "CCCn1c(N2CCCC(C(=O)NCCC3CCOCC3)C2)cc(=O)n(C)c1=O" }
1-(1-methyl-2,6-dioxo-3-propylpyrimidin-4-yl)-N-[2-(oxan-4-yl)ethyl]piperidine-3-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "1-(1-methyl-2,6-dioxo-3-propylpyrimidin-4-yl)-N-[2-(oxan-4-yl)ethyl]piperidine-3-carboxamide", "role": "assistant" } ]
298,189
{ "selfies": "[C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][=C][=C][Ring2][Ring1][Branch2]", "smiles": "COc1cccc(CCC(=O)N2CCN(CC(=O)NC(C)C)C(=O)C2)c1" }
2-[4-[3-(3-methoxyphenyl)propanoyl]-2-oxopiperazin-1-yl]-N-propan-2-ylacetamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "2-[4-[3-(3-methoxyphenyl)propanoyl]-2-oxopiperazin-1-yl]-N-propan-2-ylacetamide", "role": "assistant" } ]
298,190
{ "selfies": "[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][N][=C][Ring2][Ring1][Branch1]", "smiles": "CCC(=O)Nc1ccc(OC2CCN(C(=O)C3CCOCC3)CC2)nc1" }
N-[6-[1-(oxane-4-carbonyl)piperidin-4-yl]oxypyridin-3-yl]propanamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "N-[6-[1-(oxane-4-carbonyl)piperidin-4-yl]oxypyridin-3-yl]propanamide", "role": "assistant" } ]
298,191
{ "selfies": "[O][=C][Branch1][O][N][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][C][Ring2][Ring1][C]", "smiles": "O=C(NCc1cnccn1)C1CCN(c2cnc(N3CCCCC3)nc2)CC1" }
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide", "role": "assistant" } ]
298,192
{ "selfies": "[C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N]", "smiles": "Cn1cccc1C(=O)N1CCc2c([nH]c3ccccc23)C1" }
(1-methylpyrrol-2-yl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "(1-methylpyrrol-2-yl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone", "role": "assistant" } ]
298,193
{ "selfies": "[C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring2][=Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][C][C][C][C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][#C][C]", "smiles": "CCn1nc(C)c(CCN(C)C(=O)CCCC2NCC3CC2CN(Cc2ccccc2)C3)c1C" }
4-[(1R,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylbutanamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "4-[(1R,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylbutanamide", "role": "assistant" } ]
298,194
{ "selfies": "[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][Branch1][#C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][Ring2][C][Ring1][S][C][Ring2][Ring1][Ring1]", "smiles": "CC(C)CC(=O)N1CC2CNC(CCCC(=O)N3CCCC3)C(C2)C1" }
3-methyl-1-[(1S,5R,6R)-6-(4-oxo-4-pyrrolidin-1-ylbutyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]butan-1-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "3-methyl-1-[(1S,5R,6R)-6-(4-oxo-4-pyrrolidin-1-ylbutyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]butan-1-one", "role": "assistant" } ]
298,195
{ "selfies": "[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][C][C][C][C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N]", "smiles": "CCCCN(C)C(=O)CCCC1NCC2CC1CN(Cc1cccnc1)C2" }
N-butyl-N-methyl-4-[(1R,2R,5S)-7-(pyridin-3-ylmethyl)-3,7-diazabicyclo[3.3.1]nonan-2-yl]butanamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "N-butyl-N-methyl-4-[(1R,2R,5S)-7-(pyridin-3-ylmethyl)-3,7-diazabicyclo[3.3.1]nonan-2-yl]butanamide", "role": "assistant" } ]
298,196
{ "selfies": "[N][C][=N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring1][=C][F]", "smiles": "Nc1ncnc(-c2ccc(Cl)cc2Cl)c1F" }
6-(2,4-dichlorophenyl)-5-fluoropyrimidin-4-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "6-(2,4-dichlorophenyl)-5-fluoropyrimidin-4-amine", "role": "assistant" } ]
298,197
{ "selfies": "[C][C][O][C][C][=N][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][F]", "smiles": "CCOCc1ncnc(C(=O)O)c1F" }
6-(ethoxymethyl)-5-fluoropyrimidine-4-carboxylic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "6-(ethoxymethyl)-5-fluoropyrimidine-4-carboxylic acid", "role": "assistant" } ]
298,198
{ "selfies": "[N][C][C][=N][C][=N][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][=C][F]", "smiles": "NCc1ncnc(Cc2ccccc2F)c1F" }
[5-fluoro-6-[(2-fluorophenyl)methyl]pyrimidin-4-yl]methanamine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "[5-fluoro-6-[(2-fluorophenyl)methyl]pyrimidin-4-yl]methanamine", "role": "assistant" } ]
298,199
{ "selfies": "[C][C][=C][C][=C][Branch1][Branch2][N][C][C][Branch1][C][C][N][C][=C][Ring1][O][F]", "smiles": "Cc1ccc(NCC(C)N)cc1F" }
1-N-(3-fluoro-4-methylphenyl)propane-1,2-diamine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "1-N-(3-fluoro-4-methylphenyl)propane-1,2-diamine", "role": "assistant" } ]
298,200
{ "selfies": "[C][C][Branch1][C][C][C][C][=N][C][=N][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][F]", "smiles": "CC(C)Cc1ncnc(C#N)c1F" }
5-fluoro-6-(2-methylpropyl)pyrimidine-4-carbonitrile
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "5-fluoro-6-(2-methylpropyl)pyrimidine-4-carbonitrile", "role": "assistant" } ]
298,201
{ "selfies": "[O][C][C][=C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=N][C][=N][Ring1][O]", "smiles": "OCc1cc(-c2ccoc2)ncn1" }
[6-(furan-3-yl)pyrimidin-4-yl]methanol
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "[6-(furan-3-yl)pyrimidin-4-yl]methanol", "role": "assistant" } ]
298,202
{ "selfies": "[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][=Branch2][C][=C][Ring1][S]", "smiles": "CC(=O)c1ccc(Nc2ccnc(C(=O)O)n2)cc1" }
4-(4-acetylanilino)pyrimidine-2-carboxylic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "4-(4-acetylanilino)pyrimidine-2-carboxylic acid", "role": "assistant" } ]
298,203
{ "selfies": "[C][C][=C][C][=C][C][Branch1][=C][N][C][=N][C][=C][C][Branch1][Ring1][C][O][=N][Ring1][Branch2][=C][Ring1][#C][C]", "smiles": "Cc1cccc(Nc2nccc(CO)n2)c1C" }
[2-(2,3-dimethylanilino)pyrimidin-4-yl]methanol
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "[2-(2,3-dimethylanilino)pyrimidin-4-yl]methanol", "role": "assistant" } ]
298,204
{ "selfies": "[N][C][C][=C][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][#C]", "smiles": "NCc1ccnc(Nc2ccc(F)c(F)c2)n1" }
4-(aminomethyl)-N-(3,4-difluorophenyl)pyrimidin-2-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "4-(aminomethyl)-N-(3,4-difluorophenyl)pyrimidin-2-amine", "role": "assistant" } ]
298,205
{ "selfies": "[C][C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C][=C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2]", "smiles": "CCOC(=O)NC(=S)NCc1ccnc(OC)c1" }
ethyl N-[(2-methoxypyridin-4-yl)methylcarbamothioyl]carbamate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "ethyl N-[(2-methoxypyridin-4-yl)methylcarbamothioyl]carbamate", "role": "assistant" } ]
298,206
{ "selfies": "[C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C][=C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2]", "smiles": "COC(=O)NC(=S)NCc1ccnc(OC)c1" }
methyl N-[(2-methoxypyridin-4-yl)methylcarbamothioyl]carbamate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "methyl N-[(2-methoxypyridin-4-yl)methylcarbamothioyl]carbamate", "role": "assistant" } ]
298,207
{ "selfies": "[C][C][C][C][Ring1][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F]", "smiles": "CC1CC1(N)c1ccc(Cl)cc1F" }
1-(4-chloro-2-fluorophenyl)-2-methylcyclopropan-1-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "1-(4-chloro-2-fluorophenyl)-2-methylcyclopropan-1-amine", "role": "assistant" } ]
298,208
{ "selfies": "[C][C][=C][C][=C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][C][Branch1][C][C][=C][Ring1][#C]", "smiles": "Cc1ccc(-c2cc(C3CC3)[nH]n2)c(C)c1" }
5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazole
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazole", "role": "assistant" } ]
298,209
{ "selfies": "[F][C][C][C][C][C][Ring1][Branch1][N][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1]", "smiles": "FC1CCCC1Nc1ncc(Br)cn1" }
5-bromo-N-[(1R,2R)-2-fluorocyclopentyl]pyrimidin-2-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "5-bromo-N-[(1R,2R)-2-fluorocyclopentyl]pyrimidin-2-amine", "role": "assistant" } ]
298,210
{ "selfies": "[C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Ring2][F][=C][Ring1][=N]", "smiles": "COc1ccc(C)c(NC2CCC2F)c1" }
N-(2-fluorocyclobutyl)-5-methoxy-2-methylaniline
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "N-(2-fluorocyclobutyl)-5-methoxy-2-methylaniline", "role": "assistant" } ]
298,211
{ "selfies": "[C][C][C][=C][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][N][=C][Ring1][Branch2][=C][N][Ring1][=N][C][=Ring1][P]", "smiles": "Cc1ccc2nc(-c3ccc(C)c(N)c3)cn2c1" }
2-methyl-5-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "2-methyl-5-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline", "role": "assistant" } ]
298,212
{ "selfies": "[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1]", "smiles": "COc1ccc(Br)cc1-c1nccc(Br)n1" }
4-bromo-2-(5-bromo-2-methoxyphenyl)pyrimidine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "4-bromo-2-(5-bromo-2-methoxyphenyl)pyrimidine", "role": "assistant" } ]
298,213
{ "selfies": "[C][C][=C][C][Branch1][C][Br][=N][C][Branch1][=C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring1][S]", "smiles": "Cc1cc(Br)nc(-c2csc3ccccc23)n1" }
2-(1-benzothiophen-3-yl)-4-bromo-6-methylpyrimidine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "2-(1-benzothiophen-3-yl)-4-bromo-6-methylpyrimidine", "role": "assistant" } ]
298,214
{ "selfies": "[C][C][C][=C][Branch1][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][=C][C][#N]", "smiles": "CCc1c(C)nc(-c2ccc(F)cc2)nc1C#N" }
5-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-4-carbonitrile
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "5-ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-4-carbonitrile", "role": "assistant" } ]
298,215
{ "selfies": "[C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][Ring1][C][N][=C][Ring1][#C][C]", "smiles": "Cc1nc(Cc2ccccc2)nc(CN)c1C" }
(2-benzyl-5,6-dimethylpyrimidin-4-yl)methanamine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .", "role": "user" }, { "content": "(2-benzyl-5,6-dimethylpyrimidin-4-yl)methanamine", "role": "assistant" } ]
298,216
{ "selfies": "[C][N][Branch1][C][C][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][N][C][C][Ring1][=Branch1]", "smiles": "CN(C)c1ncc(Cl)cc1C1CCNCC1" }
5-chloro-N,N-dimethyl-3-piperidin-4-ylpyridin-2-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "5-chloro-N,N-dimethyl-3-piperidin-4-ylpyridin-2-amine", "role": "assistant" } ]
298,217
{ "selfies": "[Cl][C][C][=C][C][C][O][C][C][Ring1][=Branch1]", "smiles": "ClCC=C1CCOCC1" }
4-(2-chloroethylidene)oxane
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "4-(2-chloroethylidene)oxane", "role": "assistant" } ]
298,218
{ "selfies": "[C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][Ring1][=Branch1][C][Ring1][=Branch1][N][=C][Ring1][=C]", "smiles": "c1ccc(OC2C3CNCC2C3)nc1" }
(1R,5S)-6-pyridin-2-yloxy-3-azabicyclo[3.1.1]heptane
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "(1R,5S)-6-pyridin-2-yloxy-3-azabicyclo[3.1.1]heptane", "role": "assistant" } ]
298,219
{ "selfies": "[F][C][Branch1][C][F][Branch1][C][F][C][C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][=Ring1][=Branch2][C][C][C][C][Ring1][=Branch1]", "smiles": "FC(F)(F)Cc1nc(C2CCC2)n2c1CCCC2" }
3-cyclobutyl-1-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "3-cyclobutyl-1-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine", "role": "assistant" } ]
298,220
{ "selfies": "[C][N][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#Branch2][Branch1][C][F][F]", "smiles": "CNCC1(c2ccccc2F)CC1(F)F" }
1-[2,2-difluoro-1-(2-fluorophenyl)cyclopropyl]-N-methylmethanamine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "1-[2,2-difluoro-1-(2-fluorophenyl)cyclopropyl]-N-methylmethanamine", "role": "assistant" } ]
298,221
{ "selfies": "[C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][=N][C][=Ring1][#Branch2][N][Branch1][C][C][C][Ring1][S][=O]", "smiles": "Cn1c(=O)c2[nH]c(-c3ccc[nH]3)nc2n(C)c1=O" }
1,3-dimethyl-8-(1H-pyrrol-2-yl)-7H-purine-2,6-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "1,3-dimethyl-8-(1H-pyrrol-2-yl)-7H-purine-2,6-dione", "role": "assistant" } ]
298,222
{ "selfies": "[C][N][C][C][C][C][Ring1][Branch1][Branch1][Ring2][C][C][N][C][C][Ring1][=Branch2]", "smiles": "CN1C2CCC1(CCN)CC2" }
2-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)ethanamine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "2-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)ethanamine", "role": "assistant" } ]
298,223
{ "selfies": "[Br][C][=C][N][=C][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][Ring1][N][=C][Ring1][S]", "smiles": "Brc1cnc2nc(-c3cnccn3)ccc2c1" }
6-bromo-2-pyrazin-2-yl-1,8-naphthyridine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "6-bromo-2-pyrazin-2-yl-1,8-naphthyridine", "role": "assistant" } ]
298,224
{ "selfies": "[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][C][C][N][C][Ring1][Branch1]", "smiles": "Fc1ccccc1C#CC1CCNC1" }
3-[2-(2-fluorophenyl)ethynyl]pyrrolidine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "3-[2-(2-fluorophenyl)ethynyl]pyrrolidine", "role": "assistant" } ]
298,226
{ "selfies": "[C][N][C][C][=C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]", "smiles": "CNCc1cc2cc(Br)cnc2[nH]1" }
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)-N-methylmethanamine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)-N-methylmethanamine", "role": "assistant" } ]
298,227
{ "selfies": "[N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][O][C][Ring1][=C]", "smiles": "NC1(COc2ccc(Cl)cn2)CCOC1" }
3-[(5-chloropyridin-2-yl)oxymethyl]oxolan-3-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "3-[(5-chloropyridin-2-yl)oxymethyl]oxolan-3-amine", "role": "assistant" } ]
298,228
{ "selfies": "[C][#C][C][C][S][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "smiles": "C#CC1CSCCN1C(=O)OC(C)(C)C" }
tert-butyl 3-ethynylthiomorpholine-4-carboxylate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "tert-butyl 3-ethynylthiomorpholine-4-carboxylate", "role": "assistant" } ]
298,229
{ "selfies": "[C][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]", "smiles": "Cc1nncn1C(CC(C)C)C(=O)O" }
4-methyl-2-(3-methyl-1,2,4-triazol-4-yl)pentanoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "4-methyl-2-(3-methyl-1,2,4-triazol-4-yl)pentanoic acid", "role": "assistant" } ]
298,230
{ "selfies": "[N][C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F]", "smiles": "NCCCn1cnnc1CCC(F)(F)F" }
3-[3-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-yl]propan-1-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "3-[3-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-yl]propan-1-amine", "role": "assistant" } ]
298,231
{ "selfies": "[C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][O]", "smiles": "Cc1nnc(C)n1C(C(=O)O)C(C)O" }
2-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-hydroxybutanoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "2-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-hydroxybutanoic acid", "role": "assistant" } ]
298,232
{ "selfies": "[C][C][C][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][N]", "smiles": "CCCCc1nnc(C)n1CCN" }
2-(3-butyl-5-methyl-1,2,4-triazol-4-yl)ethanamine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "2-(3-butyl-5-methyl-1,2,4-triazol-4-yl)ethanamine", "role": "assistant" } ]
298,233
{ "selfies": "[C][O][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]", "smiles": "COCc1nnc(C)n1Cc1ccc(C(=O)O)cc1" }
4-[[3-(methoxymethyl)-5-methyl-1,2,4-triazol-4-yl]methyl]benzoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "4-[[3-(methoxymethyl)-5-methyl-1,2,4-triazol-4-yl]methyl]benzoic acid", "role": "assistant" } ]
298,234
{ "selfies": "[C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C][C][N][C][Ring1][Branch1]", "smiles": "Cc1nnc(-c2cccnc2)n1C1CCNC1" }
3-(5-methyl-4-pyrrolidin-3-yl-1,2,4-triazol-3-yl)pyridine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "3-(5-methyl-4-pyrrolidin-3-yl-1,2,4-triazol-3-yl)pyridine", "role": "assistant" } ]
298,235
{ "selfies": "[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][P][N][C][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][Ring1][S][=C][Ring2][Ring1][Branch2]", "smiles": "Cc1ccc(C)c(NC2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1" }
tert-butyl 2-(2,5-dimethylanilino)-7-azaspiro[3.5]nonane-7-carboxylate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "tert-butyl 2-(2,5-dimethylanilino)-7-azaspiro[3.5]nonane-7-carboxylate", "role": "assistant" } ]
298,236
{ "selfies": "[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N]", "smiles": "Cc1cccc(C)c1NCC1CCCN(C(=O)OC(C)(C)C)C1" }
tert-butyl 3-[(2,6-dimethylanilino)methyl]piperidine-1-carboxylate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "tert-butyl 3-[(2,6-dimethylanilino)methyl]piperidine-1-carboxylate", "role": "assistant" } ]
298,237
{ "selfies": "[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][Branch2][C][C][N][C][C][Ring1][=Branch1][C][Ring1][=Branch2]", "smiles": "CCc1ccccc1NC1CC2(CCNCC2)C1" }
N-(2-ethylphenyl)-7-azaspiro[3.5]nonan-2-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "N-(2-ethylphenyl)-7-azaspiro[3.5]nonan-2-amine", "role": "assistant" } ]
298,238
{ "selfies": "[C][C][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][Ring2][N][=C][=O][=C][Ring1][#Branch2]", "smiles": "CC(C)c1cc(Br)cc(N=C=O)c1" }
1-bromo-3-isocyanato-5-propan-2-ylbenzene
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "1-bromo-3-isocyanato-5-propan-2-ylbenzene", "role": "assistant" } ]
298,241
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][Branch1][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Ring2]", "smiles": "CC(C)(C)OC(=O)N1CC2(B3OC(C)(C)C(C)(C)O3)CC(c3ccccc3)(C1)C2" }
tert-butyl 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "tert-butyl 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[3.1.1]heptane-3-carboxylate", "role": "assistant" } ]
298,242
{ "selfies": "[C][O][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring1][N][N][C][C][C][C][Ring1][#Branch2][Ring1][Ring2]", "smiles": "COC(=O)C1CCC(NN)C2CCC12" }
methyl 5-hydrazinylbicyclo[4.2.0]octane-2-carboxylate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "methyl 5-hydrazinylbicyclo[4.2.0]octane-2-carboxylate", "role": "assistant" } ]
298,243
{ "selfies": "[C][O][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][C][S][C][C][N][Ring1][=Branch1][Branch1][Ring2][C][Ring1][#Branch2][C][Ring1][O]", "smiles": "COC(=O)C12CC(C3CSCCN3)(C1)C2" }
methyl 3-thiomorpholin-3-ylbicyclo[1.1.1]pentane-1-carboxylate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "methyl 3-thiomorpholin-3-ylbicyclo[1.1.1]pentane-1-carboxylate", "role": "assistant" } ]
298,244
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][B-1][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][N]", "smiles": "CC(C)(C)OC(=O)N1CC([B-](F)(F)F)C2(CCC2)C1" }
trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-8-yl]boranuide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.", "role": "user" }, { "content": "trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-8-yl]boranuide", "role": "assistant" } ]
298,245
{ "selfies": "[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][C][C][Ring1][Branch1][C][C][O][C][Ring1][Branch1]", "smiles": "CNS(=O)(=O)CC1CNCC12CCOC2" }
N-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-9-yl)methanesulfonamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .", "role": "user" }, { "content": "N-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-9-yl)methanesulfonamide", "role": "assistant" } ]
298,246
{ "selfies": "[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S]", "smiles": "O=C(OCc1ccccc1)N1CC(CS(=O)(=O)Cl)C(c2ccccc2)C1" }
benzyl 3-(chlorosulfonylmethyl)-4-phenylpyrrolidine-1-carboxylate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.", "role": "user" }, { "content": "benzyl 3-(chlorosulfonylmethyl)-4-phenylpyrrolidine-1-carboxylate", "role": "assistant" } ]
298,247
{ "selfies": "[C][C][=C][C][=C][C][Branch1][#C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][S]", "smiles": "Cc1cccc(-n2ncc3c2CNCC3C)c1" }
4-methyl-1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "4-methyl-1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine", "role": "assistant" } ]
298,248
{ "selfies": "[C][=N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][O][C][C][C][C][C][N][C][Ring1][=Branch1]", "smiles": "c1ncc(C2CC2)nc1OCC1CCCNC1" }
2-cyclopropyl-6-(piperidin-3-ylmethoxy)pyrazine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.", "role": "user" }, { "content": "2-cyclopropyl-6-(piperidin-3-ylmethoxy)pyrazine", "role": "assistant" } ]
298,249
{ "selfies": "[C][=N][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][N][O][C][C][C][C][Ring1][Ring2]", "smiles": "c1ncc(N2CCNCC2)nc1OC1CCC1" }
2-cyclobutyloxy-6-piperazin-1-ylpyrazine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "2-cyclobutyloxy-6-piperazin-1-ylpyrazine", "role": "assistant" } ]
298,250
{ "selfies": "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][N]", "smiles": "COC(=O)c1ccc(Nc2nccs2)cc1" }
methyl 4-(1,3-thiazol-2-ylamino)benzoate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "methyl 4-(1,3-thiazol-2-ylamino)benzoate", "role": "assistant" } ]
298,251
{ "selfies": "[N][C][Branch2][Ring1][Ring2][C][O][C][=N][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][O][Ring1][#Branch1][C][=Branch1][C][=O][O]", "smiles": "NC(COc1ncnc2cc(F)ccc12)C(=O)O" }
2-amino-3-(7-fluoroquinazolin-4-yl)oxypropanoic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "2-amino-3-(7-fluoroquinazolin-4-yl)oxypropanoic acid", "role": "assistant" } ]
298,252
{ "selfies": "[C][O][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][Branch1][C][C][=N][C][=N][C][=N][N][Ring1][O][Ring1][Branch1]", "smiles": "COC(=O)COc1c(C)c(C)nc2ncnn12" }
methyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]acetate
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .", "role": "user" }, { "content": "methyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]acetate", "role": "assistant" } ]
298,253
{ "selfies": "[C][O][C][=C][C][=C][Branch1][P][N][N][=C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C]", "smiles": "COc1ccc(-n2ncc3c(N)cccc32)c(OC)c1" }
1-(2,4-dimethoxyphenyl)indazol-4-amine
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "1-(2,4-dimethoxyphenyl)indazol-4-amine", "role": "assistant" } ]
298,254
{ "selfies": "[C][N+1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S]", "smiles": "C[N+]1(C)C2CCC1CC(NC(=O)c1ccccc1)C2" }
N-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "N-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide", "role": "assistant" } ]
298,255
{ "selfies": "[O][=C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][O][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N]", "smiles": "O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CC2CC(C1)c1cccc(=O)n1C2" }
(1S,7R)-4-[3-oxo-3-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.", "role": "user" }, { "content": "(1S,7R)-4-[3-oxo-3-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione", "role": "assistant" } ]
298,256
{ "selfies": "[C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring1]", "smiles": "Cc1ccc(C2C(C(=O)O)OCC(=O)N2C2CC2)cc1" }
(2S,3R)-4-cyclopropyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxylic acid
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "(2S,3R)-4-cyclopropyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxylic acid", "role": "assistant" } ]
298,257
{ "selfies": "[C][C][O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]", "smiles": "CCOc1ccc2[nH]c(=O)c(CN(C(=O)N3CCCC3)C3CCCC3)cc2c1" }
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide", "role": "assistant" } ]
298,258
{ "selfies": "[C][O][C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][O][C][Ring1][=N][=O]", "smiles": "COCCNC(=O)Cn1c(-c2ccc(OC)cc2)noc1=O" }
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide", "role": "assistant" } ]
298,259
{ "selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][Branch1][C][O][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]", "smiles": "COc1ccc(C2(O)CC3CCC(C2)N3C(=O)NC2CCCCC2)cc1" }
N-cyclohexyl-3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "N-cyclohexyl-3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide", "role": "assistant" } ]
298,260
{ "selfies": "[O][=C][Branch2][Ring1][#Branch1][C][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][C][C][C][C][Ring1][Ring1]", "smiles": "O=C(CN1CCC(O)(c2ccccc2)CC1)NCC1CC1" }
N-(cyclopropylmethyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "N-(cyclopropylmethyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide", "role": "assistant" } ]
298,261
{ "selfies": "[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring2][Ring1][Branch2][Ring1][S]", "smiles": "Cc1cc(C(F)(F)F)nc2nc(NC(=O)c3ccccc3F)ccc12" }
2-fluoro-N-[5-methyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]benzamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "2-fluoro-N-[5-methyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]benzamide", "role": "assistant" } ]
298,262
{ "selfies": "[O][=C][Branch2][Ring1][Ring2][N][C][=C][NH1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N]", "smiles": "O=C(Nc1c[nH]c2c(Cl)cccc2c1=O)N1CCN(c2ncccn2)CC1" }
N-(8-chloro-4-oxo-1H-quinolin-3-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "N-(8-chloro-4-oxo-1H-quinolin-3-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide", "role": "assistant" } ]
298,263
{ "selfies": "[O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1]", "smiles": "O=C(NC1(c2cccc(F)c2)CCCC1)c1cccnc1" }
N-[1-(3-fluorophenyl)cyclopentyl]pyridine-3-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "N-[1-(3-fluorophenyl)cyclopentyl]pyridine-3-carboxamide", "role": "assistant" } ]
298,264
{ "selfies": "[C][C][C][N][C][=Branch1][C][=O][C][=N][NH1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#Branch2][C][Ring1][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C]", "smiles": "CCCN1C(=O)c2n[nH]c(-c3cccs3)c2C1c1cc(OC)ccc1OC" }
4-(2,5-dimethoxyphenyl)-5-propyl-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "4-(2,5-dimethoxyphenyl)-5-propyl-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one", "role": "assistant" } ]
298,265
{ "selfies": "[C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][=N][C]", "smiles": "Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1CC(c2ccco2)NS(=O)(=O)N1C" }
(3R,5S)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "(3R,5S)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide", "role": "assistant" } ]
298,266
{ "selfies": "[C][N][C][C][C][Branch2][Ring2][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][N]", "smiles": "CN1CCC(CCc2ccc(NC(=O)c3n[nH]c(=O)c4ccccc34)cc2)CC1" }
N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide", "role": "assistant" } ]
298,267
{ "selfies": "[O][=C][Branch2][Ring1][Ring2][N][N][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][=O][C][=C][C][=C][N][=C][Ring1][=Branch1]", "smiles": "O=C(NN1CC(=O)N(C2CC2)C1=O)c1cccnc1" }
N-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)pyridine-3-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "N-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)pyridine-3-carboxamide", "role": "assistant" } ]
298,268
{ "selfies": "[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][=C][C][=C][Ring2][Ring1][N][Ring2][Ring1][Ring2]", "smiles": "Cc1cc(C(F)(F)F)nc2nc(NC(=O)CN3Cc4ccccc4C3=O)ccc12" }
N-[5-methyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "N-[5-methyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-oxo-1H-isoindol-2-yl)acetamide", "role": "assistant" } ]
298,269
{ "selfies": "[C][N][C][Branch2][Ring1][#C][C][C][C][N][C][=Branch1][C][=O][C][N][N][=C][N][C][=Branch1][O][=C][C][O][C][=C][C][=Ring1][Branch1][Ring1][Branch2][C][Ring1][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N]", "smiles": "Cn1c(CCCNC(=O)Cn2ncn3c(cc4occc43)c2=O)nc2ccccc21" }
N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-(9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?", "role": "user" }, { "content": "N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-(9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide", "role": "assistant" } ]
298,270
{ "selfies": "[C][O][C][=C][C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C]", "smiles": "COc1cc2cc(CNc3ccccc3-c3ccc(C)o3)c(=O)[nH]c2cc1OC" }
6,7-dimethoxy-3-[[2-(5-methylfuran-2-yl)anilino]methyl]-1H-quinolin-2-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .", "role": "user" }, { "content": "6,7-dimethoxy-3-[[2-(5-methylfuran-2-yl)anilino]methyl]-1H-quinolin-2-one", "role": "assistant" } ]
298,271
{ "selfies": "[C][C][C][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][Branch1][Ring1][O][C][C][=Ring1][#Branch1][O][C][C][C][Ring1][P]", "smiles": "CCCN1CCN(C(=O)c2occ(OC)c2OC)CC1" }
(3,4-dimethoxyfuran-2-yl)-(4-propylpiperazin-1-yl)methanone
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.", "role": "user" }, { "content": "(3,4-dimethoxyfuran-2-yl)-(4-propylpiperazin-1-yl)methanone", "role": "assistant" } ]
298,272
{ "selfies": "[O][=C][Branch1][N][N][C][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][O][Ring1][O]", "smiles": "O=C(NCCCc1ccco1)c1ccc(Cn2ccnc2)o1" }
N-[3-(furan-2-yl)propyl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .", "role": "user" }, { "content": "N-[3-(furan-2-yl)propyl]-5-(imidazol-1-ylmethyl)furan-2-carboxamide", "role": "assistant" } ]
298,273
{ "selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][Branch1][C][C][=O][C][C][Ring2][Ring1][Branch1]", "smiles": "COc1ccccc1N1CCN(CC(O)c2ccc3c(c2)CCN3C(C)=O)CC1" }
1-[5-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "1-[5-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone", "role": "assistant" } ]
298,274
{ "selfies": "[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][=C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][=Branch2]", "smiles": "CS(=O)(=O)N1CCc2cc(C(O)CN3CCN(c4ccccc4F)CC3)ccc21" }
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Can you give the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol", "role": "assistant" } ]
298,275
{ "selfies": "[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][Branch2][C]", "smiles": "CCC(=O)N1c2ccc(C(O)CN3CCN(c4ccccn4)CC3)cc2CC1C" }
1-[5-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "1-[5-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-methyl-2,3-dihydroindol-1-yl]propan-1-one", "role": "assistant" } ]
298,276
{ "selfies": "[C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][Ring1][=N]", "smiles": "CCCOc1c(OC)cccc1C1SC(C)C(=O)Nc2n[nH]c(C)c21" }
4-(3-methoxy-2-propoxyphenyl)-3,6-dimethyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.", "role": "user" }, { "content": "4-(3-methoxy-2-propoxyphenyl)-3,6-dimethyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one", "role": "assistant" } ]
298,277
{ "selfies": "[C][C][C][=C][Branch2][Ring2][=Branch1][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][O][N][=Ring2][Ring1][N]", "smiles": "Cc1cc(-c2cnc(-c3cccnc3)nc2C2CCN(C(=O)C3CC3)CC2)on1" }
cyclopropyl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .", "role": "user" }, { "content": "cyclopropyl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone", "role": "assistant" } ]
298,278
{ "selfies": "[C][C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][Ring1][O][=O]", "smiles": "CC(CNS(=O)(=O)c1ccccc1)n1nc(-c2cccs2)ccc1=O" }
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]benzenesulfonamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.", "role": "user" }, { "content": "N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]benzenesulfonamide", "role": "assistant" } ]
298,279
{ "selfies": "[C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=N]", "smiles": "CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)C(c2ccc(N(C)C)cc2)n2ncnc2N1" }
N-(2,5-dichlorophenyl)-7-[4-(dimethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name of the molecule <molecule_2d> ?", "role": "user" }, { "content": "N-(2,5-dichlorophenyl)-7-[4-(dimethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide", "role": "assistant" } ]
298,280
{ "selfies": "[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][Branch2]", "smiles": "CC(=O)Nc1cccc(S(=O)(=O)NCCN=C2NS(=O)(=O)c3ccccc32)c1" }
N-[3-[2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethylsulfamoyl]phenyl]acetamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Please write the IUPAC name of the molecule <molecule_2d> .", "role": "user" }, { "content": "N-[3-[2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethylsulfamoyl]phenyl]acetamide", "role": "assistant" } ]
298,281
{ "selfies": "[C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][=C][Ring2][Ring1][=Branch2][Ring1][P]", "smiles": "CCn1c(=O)c2sccc2n2c(SCC(=O)Nc3cccc(Cl)c3)nnc12" }
N-(3-chlorophenyl)-2-[(8-ethyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)sulfanyl]acetamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.", "role": "user" }, { "content": "N-(3-chlorophenyl)-2-[(8-ethyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)sulfanyl]acetamide", "role": "assistant" } ]
298,282
{ "selfies": "[C][C][=N][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O][S][Ring2][Ring1][N]", "smiles": "CC1=Nc2c(c(C)nn2-c2cccc(F)c2)C(c2ccc(OCC(N)=O)cc2)S1" }
2-[4-[1-(3-fluorophenyl)-3,6-dimethyl-4H-pyrazolo[3,4-d][1,3]thiazin-4-yl]phenoxy]acetamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "2-[4-[1-(3-fluorophenyl)-3,6-dimethyl-4H-pyrazolo[3,4-d][1,3]thiazin-4-yl]phenoxy]acetamide", "role": "assistant" } ]
298,283
{ "selfies": "[C][C][C][C][C][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][S][C][=Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2]", "smiles": "CC1CCc2nc(NC(=O)CCc3nc4ccc(F)cc4[nH]3)sc2C1" }
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
[ { "content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.", "role": "system" }, { "content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "3-(6-fluoro-1H-benzimidazol-2-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide", "role": "assistant" } ]