id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
132 | {
"selfies": "[C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][O][C][N][Branch1][Ring2][C][C][O][C][C][O][C][=C][Ring1][=C][N+1][=Branch1][C][=O][O-1]",
"smiles": "CC(C)COc1ccc(CN(CCO)CCO)cc1[N+](=O)[O-]"
} | 2-[2-hydroxyethyl-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]amino]ethanol | [
{
"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-[2-hydroxyethyl-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]amino]ethanol",
"role": "assistant"
}
] |
133 | {
"selfies": "[C][C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][N+1][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][O][C][Branch1][C][C][C][C]",
"smiles": "CCC(C)OP(=O)(Oc1cccc([N+](C)(C)C)c1)OC(C)CC"
} | [3-di(butan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium | [
{
"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-di(butan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium",
"role": "assistant"
}
] |
134 | {
"selfies": "[C][N][Branch1][C][C][C][C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"smiles": "CN(C)CCOCCOC(=O)c1ccc(N)cc1"
} | 2-[2-(dimethylamino)ethoxy]ethyl 4-aminobenzoate | [
{
"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": "2-[2-(dimethylamino)ethoxy]ethyl 4-aminobenzoate",
"role": "assistant"
}
] |
135 | {
"selfies": "[C][N][C][C][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]",
"smiles": "CN1CCOC1c1ccc(C#N)cc1"
} | 4-(3-methyl-1,3-oxazolidin-2-yl)benzonitrile | [
{
"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-(3-methyl-1,3-oxazolidin-2-yl)benzonitrile",
"role": "assistant"
}
] |
136 | {
"selfies": "[O][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1]",
"smiles": "O=Cc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1"
} | 4-[3-(4-phenylpiperazin-1-yl)propoxy]benzaldehyde | [
{
"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": "4-[3-(4-phenylpiperazin-1-yl)propoxy]benzaldehyde",
"role": "assistant"
}
] |
137 | {
"selfies": "[C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C]",
"smiles": "COc1cc(C(=O)OC2CN3CCC2CC3)cc(OC)c1OC"
} | 1-azabicyclo[2.2.2]octan-3-yl 3,4,5-trimethoxybenzoate | [
{
"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-azabicyclo[2.2.2]octan-3-yl 3,4,5-trimethoxybenzoate",
"role": "assistant"
}
] |
138 | {
"selfies": "[C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O]",
"smiles": "CC(NCCN(C)C)C(=O)O"
} | 2-[2-(dimethylamino)ethylamino]propanoic acid | [
{
"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-[2-(dimethylamino)ethylamino]propanoic acid",
"role": "assistant"
}
] |
139 | {
"selfies": "[C][C][=C][Branch2][Ring1][N][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring2][Ring1][Branch2]",
"smiles": "CC1=C(COC(=O)C(O)(c2ccccc2)C2CCCC2)CN(C)CC1"
} | (1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate | [
{
"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": "(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate",
"role": "assistant"
}
] |
140 | {
"selfies": "[C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][O][N][=C][C][S][C][C][S][Ring1][=Branch1]",
"smiles": "CCCC(=O)N(C)C(=O)ON=C1CSCCS1"
} | (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate | [
{
"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": "(1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate",
"role": "assistant"
}
] |
141 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][N][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C]",
"smiles": "COc1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(OC)c(OC)c3)cc2)cc1"
} | N-[(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide | [
{
"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": "N-[(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide",
"role": "assistant"
}
] |
143 | {
"selfies": "[C][=C][C][O][C][=C][Branch1][Ring2][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][N][C][C][=C]",
"smiles": "C=CCOc1c(CC=C)cc(C(=O)O)cc1CC=C"
} | 4-prop-2-enoxy-3,5-bis(prop-2-enyl)benzoic acid | [
{
"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": "4-prop-2-enoxy-3,5-bis(prop-2-enyl)benzoic acid",
"role": "assistant"
}
] |
144 | {
"selfies": "[C][C][C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]",
"smiles": "CCCCn1cc(C(=O)C(=O)N(C)C)c2ccccc21"
} | 2-(1-butylindol-3-yl)-N,N-dimethyl-2-oxoacetamide | [
{
"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-(1-butylindol-3-yl)-N,N-dimethyl-2-oxoacetamide",
"role": "assistant"
}
] |
145 | {
"selfies": "[O][=C][N][=C][C][N][Ring1][Branch1][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2]",
"smiles": "O=C1N=CCN1c1ncc([N+](=O)[O-])s1"
} | 3-(5-nitro-1,3-thiazol-2-yl)-4H-imidazol-2-one | [
{
"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-(5-nitro-1,3-thiazol-2-yl)-4H-imidazol-2-one",
"role": "assistant"
}
] |
147 | {
"selfies": "[C][=C][Branch1][C][C][C][Branch1][C][O][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][N][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "C=C(C)C(O)(C(=O)OC1CC(C)N(C)C(C)(C)C1)c1ccccc1"
} | (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-3-methyl-2-phenylbut-3-enoate | [
{
"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": "(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-3-methyl-2-phenylbut-3-enoate",
"role": "assistant"
}
] |
148 | {
"selfies": "[C][C][#C][C][Branch1][C][O][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC#CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1"
} | 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-ynoate | [
{
"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": "1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-ynoate",
"role": "assistant"
}
] |
149 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][O][C][N][Branch1][Ring2][C][C][Cl][C][C][Cl][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][N+1][=Branch1][C][=O][O-1]",
"smiles": "CCOC(=O)C(CN(CCCl)CCCl)(C(=O)OCC)[N+](=O)[O-]"
} | diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitropropanedioate | [
{
"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": "diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitropropanedioate",
"role": "assistant"
}
] |
150 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C]",
"smiles": "CCN(CC)CCSCC(=O)Nc1ccccc1C"
} | 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)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": "2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide",
"role": "assistant"
}
] |
151 | {
"selfies": "[C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][N+1][Ring1][#Branch1][Branch1][C][C][C]",
"smiles": "C[N+](C)(C)CCCN1CC2CCCC(C1)[N+]2(C)C"
} | 3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-trimethylazanium | [
{
"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": "3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-trimethylazanium",
"role": "assistant"
}
] |
152 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][C][Ring1][=Branch2][C][=Branch1][C][=O][O]",
"smiles": "CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1N=C(C(C)(C)C)SC1C(=O)O"
} | 5-tert-butyl-3-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylic 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": "5-tert-butyl-3-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid",
"role": "assistant"
}
] |
154 | {
"selfies": "[O][=C][Branch1][C][O][C][N][C][C][Branch1][C][O][N][C][C][=Branch1][C][=O][O]",
"smiles": "O=C(O)CNCC(O)NCC(=O)O"
} | 2-[[2-(carboxymethylamino)-2-hydroxyethyl]amino]acetic 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": "2-[[2-(carboxymethylamino)-2-hydroxyethyl]amino]acetic acid",
"role": "assistant"
}
] |
156 | {
"selfies": "[C][C][C][C][O][C][C][O][C][Branch1][C][C][C][O]",
"smiles": "CCCCOCCOC(C)CO"
} | 2-(2-butoxyethoxy)propan-1-ol | [
{
"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-(2-butoxyethoxy)propan-1-ol",
"role": "assistant"
}
] |
157 | {
"selfies": "[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1]",
"smiles": "Cc1nc2ccccc2c(=O)n1CCCN1CCCCC1"
} | 2-methyl-3-(3-piperidin-1-ylpropyl)quinazolin-4-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": "2-methyl-3-(3-piperidin-1-ylpropyl)quinazolin-4-one",
"role": "assistant"
}
] |
158 | {
"selfies": "[C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][N][C][Branch1][Ring1][C][F][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring1][=N][=O]",
"smiles": "Cc1c(O)cccc1-n1c(CF)nc2ccc(N)cc2c1=O"
} | 6-amino-2-(fluoromethyl)-3-(3-hydroxy-2-methylphenyl)quinazolin-4-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "6-amino-2-(fluoromethyl)-3-(3-hydroxy-2-methylphenyl)quinazolin-4-one",
"role": "assistant"
}
] |
159 | {
"selfies": "[O][=C][Branch2][Ring1][Branch2][N][C][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"smiles": "O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccn1"
} | N-[2-(1-adamantyl)ethyl]pyridine-2-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-[2-(1-adamantyl)ethyl]pyridine-2-carboxamide",
"role": "assistant"
}
] |
160 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][N][Branch1][C][C][C][C][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=N][O][C]",
"smiles": "COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC"
} | 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-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": "3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one",
"role": "assistant"
}
] |
161 | {
"selfies": "[N][C][=Branch1][C][=O][C][N][=C][NH1][C][=Ring1][Branch1][C][Branch1][C][N][=O]",
"smiles": "NC(=O)c1nc[nH]c1C(N)=O"
} | 1H-imidazole-4,5-dicarboxamide | [
{
"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": "1H-imidazole-4,5-dicarboxamide",
"role": "assistant"
}
] |
162 | {
"selfies": "[C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][S]",
"smiles": "CC(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1"
} | 4-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)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": "4-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide",
"role": "assistant"
}
] |
163 | {
"selfies": "[O][=C][Branch1][C][O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]",
"smiles": "O=C(O)c1nccnc1C(=O)O"
} | pyrazine-2,3-dicarboxylic acid | [
{
"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": "pyrazine-2,3-dicarboxylic acid",
"role": "assistant"
}
] |
164 | {
"selfies": "[C][C][Branch1][C][C][O][C][C][C][#N]",
"smiles": "CC(C)OCCC#N"
} | 3-propan-2-yloxypropanenitrile | [
{
"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": "3-propan-2-yloxypropanenitrile",
"role": "assistant"
}
] |
165 | {
"selfies": "[O][=C][Branch2][Ring1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)c1ccc([N+](=O)[O-])cc1"
} | 4-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic 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-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid",
"role": "assistant"
}
] |
166 | {
"selfies": "[O][=C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1"
} | 4-nitro-N-(3-nitrophenyl)benzamide | [
{
"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": "4-nitro-N-(3-nitrophenyl)benzamide",
"role": "assistant"
}
] |
167 | {
"selfies": "[N][#C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "N#CC(F)(F)C(F)(F)F"
} | 2,2,3,3,3-pentafluoropropanenitrile | [
{
"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": "2,2,3,3,3-pentafluoropropanenitrile",
"role": "assistant"
}
] |
168 | {
"selfies": "[C][C][O][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][O]",
"smiles": "CCOc1cccc(C=O)c1O"
} | 3-ethoxy-2-hydroxybenzaldehyde | [
{
"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-ethoxy-2-hydroxybenzaldehyde",
"role": "assistant"
}
] |
169 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][Ring2][Ring1][C][S][C][Ring2][Ring1][Branch1][Branch1][C][C][C]",
"smiles": "CCN(CC)CCOC(=O)C1N2C(=O)C(NC(=O)c3c(OC)cccc3OC)C2SC1(C)C"
} | 2-(diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "2-(diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",
"role": "assistant"
}
] |
170 | {
"selfies": "[O][=C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Ring1][Branch2][O]",
"smiles": "O=C1C=C(O)C(=O)C=C1O"
} | 2,5-dihydroxycyclohexa-2,5-diene-1,4-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": "2,5-dihydroxycyclohexa-2,5-diene-1,4-dione",
"role": "assistant"
}
] |
171 | {
"selfies": "[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Ring1][Branch1]",
"smiles": "c1ccc2c(c1)CC2"
} | bicyclo[4.2.0]octa-1,3,5-triene | [
{
"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": "bicyclo[4.2.0]octa-1,3,5-triene",
"role": "assistant"
}
] |
172 | {
"selfies": "[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][C][F]",
"smiles": "O=S(=O)(Cl)CCF"
} | 2-fluoroethanesulfonyl chloride | [
{
"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-fluoroethanesulfonyl chloride",
"role": "assistant"
}
] |
173 | {
"selfies": "[C][SiH2][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "C[SiH2]c1ccccc1"
} | methyl(phenyl)silane | [
{
"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": "methyl(phenyl)silane",
"role": "assistant"
}
] |
174 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][N]",
"smiles": "CC(C)(C)OC(=O)NN"
} | tert-butyl N-aminocarbamate | [
{
"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": "tert-butyl N-aminocarbamate",
"role": "assistant"
}
] |
175 | {
"selfies": "[N][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NNC(=O)Cc1ccccc1"
} | 2-phenylacetohydrazide | [
{
"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-phenylacetohydrazide",
"role": "assistant"
}
] |
176 | {
"selfies": "[C][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Si][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "C[Si](c1ccccc1)(c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1"
} | methyl-[methyl(diphenyl)silyl]-diphenylsilane | [
{
"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-[methyl(diphenyl)silyl]-diphenylsilane",
"role": "assistant"
}
] |
177 | {
"selfies": "[C][C][Branch1][C][C][S][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][O]",
"smiles": "CC1(C)SC2C(NC(=O)C(Oc3ccccc3)c3ccccc3)C(=O)N2C1C(=O)O"
} | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxy-2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | [
{
"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": "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxy-2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",
"role": "assistant"
}
] |
178 | {
"selfies": "[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2]",
"smiles": "CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12"
} | 1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol | [
{
"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-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol",
"role": "assistant"
}
] |
179 | {
"selfies": "[C][C][=C][N][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O]",
"smiles": "Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O"
} | 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-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": "1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",
"role": "assistant"
}
] |
180 | {
"selfies": "[C][C][Branch1][C][C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC(C=O)Cc1ccccc1"
} | (2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic 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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid",
"role": "assistant"
}
] |
181 | {
"selfies": "[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][O][C][C][O][C][=C][Ring1][N][F]",
"smiles": "O=c1[nH]c(=O)n(COCCO)cc1F"
} | 5-fluoro-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-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": "5-fluoro-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione",
"role": "assistant"
}
] |
183 | {
"selfies": "[C][=C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=C][C][Ring1][S][Ring1][N]",
"smiles": "C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12"
} | (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-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": "(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one",
"role": "assistant"
}
] |
184 | {
"selfies": "[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O]",
"smiles": "Nc1ccc2c(c1)C(=O)NC2=O"
} | 5-aminoisoindole-1,3-dione | [
{
"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": "5-aminoisoindole-1,3-dione",
"role": "assistant"
}
] |
185 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Branch1][S][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch2][Ring2][#Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][=C][Ring2][Ring1][=N][O][Ring2][Ring2][C][C][=C][Ring2][Ring2][Branch2][O]",
"smiles": "COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3O2)cc1O"
} | (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-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": "(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one",
"role": "assistant"
}
] |
186 | {
"selfies": "[N][#C][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "N#CN1CCOCC1"
} | morpholine-4-carbonitrile | [
{
"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": "morpholine-4-carbonitrile",
"role": "assistant"
}
] |
187 | {
"selfies": "[Cl][C][Branch1][C][Cl][Si][Branch1][C][Cl][Branch1][C][Cl][Cl]",
"smiles": "ClC(Cl)[Si](Cl)(Cl)Cl"
} | trichloro(dichloromethyl)silane | [
{
"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": "trichloro(dichloromethyl)silane",
"role": "assistant"
}
] |
188 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][Cl]",
"smiles": "COC(=O)CCCC(=O)Cl"
} | methyl 5-chloro-5-oxopentanoate | [
{
"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": "methyl 5-chloro-5-oxopentanoate",
"role": "assistant"
}
] |
189 | {
"selfies": "[C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][C][=C][Ring1][P]",
"smiles": "c1ccc(-c2ccc(-c3ccccc3)s2)cc1"
} | 2,5-diphenylthiophene | [
{
"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": "2,5-diphenylthiophene",
"role": "assistant"
}
] |
190 | {
"selfies": "[O][C][C][N][C][=C][N][=C][Ring1][Branch1]",
"smiles": "OCCn1ccnc1"
} | 2-imidazol-1-ylethanol | [
{
"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": "2-imidazol-1-ylethanol",
"role": "assistant"
}
] |
191 | {
"selfies": "[C][Si][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][O][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Si][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch2]",
"smiles": "C[Si]1(C)O[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](C)(C)O1"
} | 2,2,4,4,6,6-hexamethyl-8,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane | [
{
"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": "2,2,4,4,6,6-hexamethyl-8,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",
"role": "assistant"
}
] |
192 | {
"selfies": "[C][=C][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C]",
"smiles": "C=C(C)O[Si](C)(C)C"
} | trimethyl(prop-1-en-2-yloxy)silane | [
{
"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": "trimethyl(prop-1-en-2-yloxy)silane",
"role": "assistant"
}
] |
194 | {
"selfies": "[C][C][=C][C][=C][C][Branch2][Ring1][N][N][=N][C][=C][C][=C][Branch1][#C][N][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch2]",
"smiles": "Cc1cccc(N=Nc2ccc(N=Nc3cc(C)ccc3O)cc2C)c1"
} | 4-methyl-2-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]phenol | [
{
"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-2-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]phenol",
"role": "assistant"
}
] |
195 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C]",
"smiles": "CC(=O)Nc1ccc(C(=O)OCCN(C)C)cc1"
} | 2-(dimethylamino)ethyl 4-acetamidobenzoate | [
{
"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": "2-(dimethylamino)ethyl 4-acetamidobenzoate",
"role": "assistant"
}
] |
196 | {
"selfies": "[N][C][=C][C][=C][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring1][=C]",
"smiles": "Nc1ccc2c(ccc3ccccc32)c1"
} | phenanthren-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "phenanthren-2-amine",
"role": "assistant"
}
] |
197 | {
"selfies": "[C][C][=C][C][Branch1][C][C][=N+1][Branch1][C][O-1][C][Branch1][C][C][=C][Ring1][=Branch2]",
"smiles": "Cc1cc(C)[n+]([O-])c(C)c1"
} | 2,4,6-trimethyl-1-oxidopyridin-1-ium | [
{
"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": "2,4,6-trimethyl-1-oxidopyridin-1-ium",
"role": "assistant"
}
] |
198 | {
"selfies": "[O][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(CS(=O)(=O)c1ccccc1)c1ccccc1"
} | 2-(benzenesulfonyl)-1-phenylethanone | [
{
"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-(benzenesulfonyl)-1-phenylethanone",
"role": "assistant"
}
] |
200 | {
"selfies": "[F][C][Branch1][C][F][=C][Branch1][C][F][C][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1]",
"smiles": "FC(F)=C(F)CCSc1ncccn1"
} | 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidine | [
{
"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": "2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidine",
"role": "assistant"
}
] |
201 | {
"selfies": "[O][=C][Branch1][Ring1][C][Br][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "O=C(CBr)C(F)(F)F"
} | 3-bromo-1,1,1-trifluoropropan-2-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": "3-bromo-1,1,1-trifluoropropan-2-one",
"role": "assistant"
}
] |
202 | {
"selfies": "[O][=C][Branch1][C][S][C][Cl]",
"smiles": "O=C(S)CCl"
} | 2-chloroethanethioic S-acid | [
{
"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": "2-chloroethanethioic S-acid",
"role": "assistant"
}
] |
203 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][S][C][=Branch1][Ring1][=N][C][N][C]",
"smiles": "CCCCCCCCCCCCSC(=NC)NC"
} | dodecyl N,N'-dimethylcarbamimidothioate | [
{
"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": "dodecyl N,N'-dimethylcarbamimidothioate",
"role": "assistant"
}
] |
204 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][C][N][C]",
"smiles": "CCN(CC)CCCNC"
} | N',N'-diethyl-N-methylpropane-1,3-diamine | [
{
"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',N'-diethyl-N-methylpropane-1,3-diamine",
"role": "assistant"
}
] |
205 | {
"selfies": "[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=Branch1][C][=O][O][Ring1][O]",
"smiles": "CC1(C)OC(=O)C2(CC2)C(=O)O1"
} | 6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-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": "6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione",
"role": "assistant"
}
] |
206 | {
"selfies": "[C][C][C][C][C][N][C][C][C][Ring1][=Branch2]",
"smiles": "C1CCCCNCCC1"
} | azonane | [
{
"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": "azonane",
"role": "assistant"
}
] |
207 | {
"selfies": "[C][C][=C][C][=C][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][#N][C][=C][Ring1][N]",
"smiles": "Cc1ccc(S(=O)(=O)CC#N)cc1"
} | 2-(4-methylphenyl)sulfonylacetonitrile | [
{
"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": "2-(4-methylphenyl)sulfonylacetonitrile",
"role": "assistant"
}
] |
208 | {
"selfies": "[O][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(Oc1ccccc1O)c1ccccc1"
} | (2-hydroxyphenyl) benzoate | [
{
"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-hydroxyphenyl) benzoate",
"role": "assistant"
}
] |
209 | {
"selfies": "[O][=C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][C][Ring1][S][=C][Ring1][=N][Ring1][=Branch1]",
"smiles": "O=C1OC(=O)c2ccc([N+](=O)[O-])c3cccc1c23"
} | 8-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione | [
{
"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": "8-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione",
"role": "assistant"
}
] |
211 | {
"selfies": "[C][=C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O]",
"smiles": "C=CC(=O)OCC(CC)(CO)CO"
} | 2,2-bis(hydroxymethyl)butyl prop-2-enoate | [
{
"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": "2,2-bis(hydroxymethyl)butyl prop-2-enoate",
"role": "assistant"
}
] |
212 | {
"selfies": "[O][=C][Branch1][Ring1][N][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(NO)Nc1ccccc1"
} | 1-hydroxy-3-phenylurea | [
{
"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": "1-hydroxy-3-phenylurea",
"role": "assistant"
}
] |
213 | {
"selfies": "[C][C][C][Sn][=Branch1][C][=O][C][C][C]",
"smiles": "CCC[Sn](=O)CCC"
} | oxo(dipropyl)tin | [
{
"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": "oxo(dipropyl)tin",
"role": "assistant"
}
] |
214 | {
"selfies": "[C][O][C][C][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "COCCN1CCOCC1"
} | 4-(2-methoxyethyl)morpholine | [
{
"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": "4-(2-methoxyethyl)morpholine",
"role": "assistant"
}
] |
215 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][#N]",
"smiles": "COc1ccc([N+](=O)[O-])cc1C#N"
} | 2-methoxy-5-nitrobenzonitrile | [
{
"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": "2-methoxy-5-nitrobenzonitrile",
"role": "assistant"
}
] |
217 | {
"selfies": "[C][C][C][S][P][Branch1][C][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCCSP(C)(=O)OCC"
} | 1-[ethoxy(methyl)phosphoryl]sulfanylpropane | [
{
"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-[ethoxy(methyl)phosphoryl]sulfanylpropane",
"role": "assistant"
}
] |
219 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][S][N][Ring1][Branch1][C]",
"smiles": "COC(=O)C1C(CC(=O)c2ccccc2)CC2CCC1N2C"
} | methyl (1R,2S,3R,5S)-8-methyl-3-phenacyl-8-azabicyclo[3.2.1]octane-2-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "methyl (1R,2S,3R,5S)-8-methyl-3-phenacyl-8-azabicyclo[3.2.1]octane-2-carboxylate",
"role": "assistant"
}
] |
220 | {
"selfies": "[O][=C][Branch2][Ring1][Branch1][C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][S][Ring1][=Branch2][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][Branch2]",
"smiles": "O=C(CCCCC1C2NC(=O)NC2CS1=O)NCCNC(=O)CCc1ccc(O)c(I)c1"
} | 5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodanylphenyl)propanoylamino]ethyl]pentanamide | [
{
"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": "5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodanylphenyl)propanoylamino]ethyl]pentanamide",
"role": "assistant"
}
] |
221 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][=Branch2][Cl]",
"smiles": "COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl"
} | methyl 4-amino-3,5,6-trichloropyridine-2-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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "methyl 4-amino-3,5,6-trichloropyridine-2-carboxylate",
"role": "assistant"
}
] |
222 | {
"selfies": "[C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#C]",
"smiles": "CC1(C)COP(=O)(Cc2ccccc2)OC1"
} | 2-benzyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide | [
{
"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-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide",
"role": "assistant"
}
] |
223 | {
"selfies": "[C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][C][C][C][Ring1][=N][C]",
"smiles": "CCOC1(c2ccccc2)OCCN(C)C1C"
} | 2-ethoxy-3,4-dimethyl-2-phenylmorpholine | [
{
"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-ethoxy-3,4-dimethyl-2-phenylmorpholine",
"role": "assistant"
}
] |
224 | {
"selfies": "[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][C][Ring1][S]",
"smiles": "CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1"
} | propan-2-yl 1-(4-nitrophenyl)sulfonylcyclobutane-1-carboxylate | [
{
"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": "propan-2-yl 1-(4-nitrophenyl)sulfonylcyclobutane-1-carboxylate",
"role": "assistant"
}
] |
225 | {
"selfies": "[Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Branch1][C][Br][C][Branch1][C][Br][C][C][Ring1][#Branch1][C][Ring1][=N][Branch1][C][Cl][C][Ring1][N][Branch1][C][Cl][Cl]",
"smiles": "ClC1=C(Cl)C2(Cl)C3C(Br)C(Br)CC3C1(Cl)C2(Cl)Cl"
} | 3,4-dibromo-1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-ene | [
{
"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-dibromo-1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-ene",
"role": "assistant"
}
] |
226 | {
"selfies": "[C][C][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O]",
"smiles": "CCCC1(CCC(C)C)C(=O)NC(=O)NC1=O"
} | 5-(3-methylbutyl)-5-propyl-1,3-diazinane-2,4,6-trione | [
{
"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-(3-methylbutyl)-5-propyl-1,3-diazinane-2,4,6-trione",
"role": "assistant"
}
] |
227 | {
"selfies": "[C][Si][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][Si][Branch1][C][C][Branch1][C][C][C]",
"smiles": "C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C"
} | bis(trimethylsilyl) propanedioate | [
{
"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": "bis(trimethylsilyl) propanedioate",
"role": "assistant"
}
] |
228 | {
"selfies": "[C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][C][C]",
"smiles": "CCCCCCCCC(=O)OCCOCCCC"
} | 2-butoxyethyl nonanoate | [
{
"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-butoxyethyl nonanoate",
"role": "assistant"
}
] |
229 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2]",
"smiles": "CCN(CC)c1ccc(C(=O)O)c(O)c1"
} | 4-(diethylamino)-2-hydroxybenzoic acid | [
{
"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-(diethylamino)-2-hydroxybenzoic acid",
"role": "assistant"
}
] |
230 | {
"selfies": "[C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][O]",
"smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)O"
} | 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid | [
{
"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": "3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid",
"role": "assistant"
}
] |
231 | {
"selfies": "[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"smiles": "O=C1CCC(=O)N1c1cc(Cl)cc(Cl)c1"
} | 1-(3,5-dichlorophenyl)pyrrolidine-2,5-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": "1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione",
"role": "assistant"
}
] |
232 | {
"selfies": "[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=Branch1][Ring1][=N+1][=N-1][C][=C][C][Ring1][Branch2][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]",
"smiles": "CCc1ccccc1NS(=O)(=O)C1=CC(=[N+]=[N-])C=CC1=NS(=O)(=O)c1ccc(C)cc1"
} | 3-diazo-N-(2-ethylphenyl)-6-(4-methylphenyl)sulfonyliminocyclohexa-1,4-diene-1-sulfonamide | [
{
"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": "3-diazo-N-(2-ethylphenyl)-6-(4-methylphenyl)sulfonyliminocyclohexa-1,4-diene-1-sulfonamide",
"role": "assistant"
}
] |
233 | {
"selfies": "[C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C]",
"smiles": "CCC(C)OC(=O)C(C)C"
} | butan-2-yl 2-methylpropanoate | [
{
"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": "butan-2-yl 2-methylpropanoate",
"role": "assistant"
}
] |
234 | {
"selfies": "[N][#C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1"
} | (2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile | [
{
"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": "(2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile",
"role": "assistant"
}
] |
235 | {
"selfies": "[C][C][=C][C][C][C][Branch1][C][C][O][C][Ring1][Ring2][C][C][Ring1][#Branch2]",
"smiles": "CC1=CCCC2(C)OC2CC1"
} | 1,5-dimethyl-9-oxabicyclo[6.1.0]non-4-ene | [
{
"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": "1,5-dimethyl-9-oxabicyclo[6.1.0]non-4-ene",
"role": "assistant"
}
] |
236 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][=C][C][Branch1][C][C][Branch2][Ring1][S][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][C][C][Ring1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C]",
"smiles": "CC1(C)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1"
} | (3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol | [
{
"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": "(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol",
"role": "assistant"
}
] |
237 | {
"selfies": "[C][C][C][C][C][C][C][C][P][=Branch1][C][=O][Branch1][#Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C]",
"smiles": "CCCCCCCCP(=O)(CCCCCC)CCCCCCCC"
} | 1-[hexyl(octyl)phosphoryl]octane | [
{
"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-[hexyl(octyl)phosphoryl]octane",
"role": "assistant"
}
] |
238 | {
"selfies": "[C][C][=Branch1][Ring2][=C][C][=O][C][C][C][C][Branch1][C][C][C]",
"smiles": "CC(=CC=O)CCCC(C)C"
} | 3,7-dimethyloct-2-enal | [
{
"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": "3,7-dimethyloct-2-enal",
"role": "assistant"
}
] |
239 | {
"selfies": "[C][C][O][P][Branch1][Ring2][O][C][C][N][C][=N][C][=N][Ring1][Branch1]",
"smiles": "CCOP(OCC)n1cncn1"
} | diethoxy(1,2,4-triazol-1-yl)phosphane | [
{
"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": "diethoxy(1,2,4-triazol-1-yl)phosphane",
"role": "assistant"
}
] |
240 | {
"selfies": "[C][C][Branch1][C][C][=C][C][#N]",
"smiles": "CC(C)=CC#N"
} | 3-methylbut-2-enenitrile | [
{
"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": "3-methylbut-2-enenitrile",
"role": "assistant"
}
] |
241 | {
"selfies": "[C][C][C][Branch2][Ring1][=C][C][O][P][Branch1][C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][O][P][Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][C][O][P][Branch1][C][C][=Branch1][C][=O][O][C][Ring2][Ring1][=Branch2]",
"smiles": "CCC1(COP(C)(=O)OCC2(CC)COP(C)(=O)OC2)COP(C)(=O)OC1"
} | 5-ethyl-5-[[(5-ethyl-2-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methoxy-methylphosphoryl]oxymethyl]-2-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide | [
{
"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": "5-ethyl-5-[[(5-ethyl-2-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methoxy-methylphosphoryl]oxymethyl]-2-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide",
"role": "assistant"
}
] |
Subsets and Splits