id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
|---|---|---|---|
242 | {
"selfies": "[I][Sn][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "I[Sn](c1ccccc1)(c1ccccc1)c1ccccc1"
} | iodo(triphenyl)stannane | [
{
"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": "iodo(triphenyl)stannane",
"role": "assistant"
}
] |
243 | {
"selfies": "[S][=P][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][N][C][C][C][O][Ring1][=N]",
"smiles": "S=P1(N(CCCl)CCCl)NCCCO1"
} | N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-oxazaphosphinan-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": "N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-oxazaphosphinan-2-amine",
"role": "assistant"
}
] |
244 | {
"selfies": "[C][C][=C][N+1][Branch1][C][O-1][=C][C][Branch1][C][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]",
"smiles": "Cc1c[n+]([O-])cc(C)c1[N+](=O)[O-]"
} | 3,5-dimethyl-4-nitro-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": "3,5-dimethyl-4-nitro-1-oxidopyridin-1-ium",
"role": "assistant"
}
] |
245 | {
"selfies": "[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][#C]",
"smiles": "Fc1ccccc1-c1nnc(-c2cccc3ccccc23)o1"
} | 2-(2-fluorophenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole | [
{
"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-fluorophenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole",
"role": "assistant"
}
] |
247 | {
"selfies": "[Cl][C][=C][C][=C][Branch1][=C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C]",
"smiles": "Clc1ccc(C#Cc2ccc(Cl)cc2)cc1"
} | 1-chloro-4-[2-(4-chlorophenyl)ethynyl]benzene | [
{
"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-chloro-4-[2-(4-chlorophenyl)ethynyl]benzene",
"role": "assistant"
}
] |
248 | {
"selfies": "[C][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][C][C][C][=N][C][C][O][Ring1][Branch1]",
"smiles": "CCCCCCCCC=CCCCCCCCC1=NCCO1"
} | 2-heptadec-8-enyl-4,5-dihydro-1,3-oxazole | [
{
"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-heptadec-8-enyl-4,5-dihydro-1,3-oxazole",
"role": "assistant"
}
] |
249 | {
"selfies": "[C][C][Branch1][#Branch1][O][C][Branch1][C][N][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]",
"smiles": "CC(OC(N)=O)C(F)(F)C(F)F"
} | 3,3,4,4-tetrafluorobutan-2-yl carbamate | [
{
"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": "3,3,4,4-tetrafluorobutan-2-yl carbamate",
"role": "assistant"
}
] |
250 | {
"selfies": "[Cl][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "ClC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1"
} | 1-chloro-4-[2-chloro-1-(4-chlorophenyl)ethenyl]benzene | [
{
"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-chloro-4-[2-chloro-1-(4-chlorophenyl)ethenyl]benzene",
"role": "assistant"
}
] |
251 | {
"selfies": "[C][=C][C][C][=C][C][Branch1][#Branch1][C][N][C][C][C][O][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][#C]",
"smiles": "C=CCc1cc(CNCCCO)c(O)c(OC)c1"
} | 2-[(3-hydroxypropylamino)methyl]-6-methoxy-4-prop-2-enylphenol | [
{
"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-[(3-hydroxypropylamino)methyl]-6-methoxy-4-prop-2-enylphenol",
"role": "assistant"
}
] |
252 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C]",
"smiles": "CCN(CC)P(=O)(OC)OC"
} | N-dimethoxyphosphoryl-N-ethylethanamine | [
{
"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-dimethoxyphosphoryl-N-ethylethanamine",
"role": "assistant"
}
] |
253 | {
"selfies": "[O][=P][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][N][C][Branch1][C][O][C][C][O][Ring1][=C]",
"smiles": "O=P1(N(CCCl)CCCl)NC(O)CCO1"
} | 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-ol | [
{
"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-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-ol",
"role": "assistant"
}
] |
254 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccnc1"
} | diethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate | [
{
"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": "diethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate",
"role": "assistant"
}
] |
255 | {
"selfies": "[O][=C][Branch1][C][O][C][Branch1][Ring1][N][O][C][C][C][C][C][Ring1][Branch2]",
"smiles": "O=C(O)C1(NO)CCCCC1"
} | 1-(hydroxyamino)cyclohexane-1-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": "1-(hydroxyamino)cyclohexane-1-carboxylic acid",
"role": "assistant"
}
] |
256 | {
"selfies": "[N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]",
"smiles": "Nc1cccc(Cl)c1[N+](=O)[O-]"
} | 3-chloro-2-nitroaniline | [
{
"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-chloro-2-nitroaniline",
"role": "assistant"
}
] |
257 | {
"selfies": "[O][=C][C][=C][Branch1][C][Br][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2]",
"smiles": "O=c1cc(Br)[nH]c(=O)[nH]1"
} | 6-bromo-1H-pyrimidine-2,4-dione | [
{
"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": "6-bromo-1H-pyrimidine-2,4-dione",
"role": "assistant"
}
] |
259 | {
"selfies": "[C][C][=Branch1][C][=O][O][C][C][C][C][C][O][C][Branch2][Ring2][Ring2][C][C][C][C][C][C][Branch1][=N][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][Ring1][=N][Branch1][C][C][C][C][C][Ring2][Ring1][C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][Branch2][Branch1][C][Br][C][Ring2][Ring1][=N]",
"smiles": "CC(=O)OC1CCC23COC(CC4C5CCC(C(C)CCCC(C)C)C5(C)CCC42)C3(Br)C1"
} | [(1R,2S,5R,6R,9S,10S,12R,13R,15S)-13-bromo-5-methyl-6-[(2R)-6-methylheptan-2-yl]-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-15-yl] acetate | [
{
"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": "[(1R,2S,5R,6R,9S,10S,12R,13R,15S)-13-bromo-5-methyl-6-[(2R)-6-methylheptan-2-yl]-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-15-yl] acetate",
"role": "assistant"
}
] |
260 | {
"selfies": "[C][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][=C][Ring1][O]",
"smiles": "CC(C)c1ccc(OCC2CO2)cc1"
} | 2-[(4-propan-2-ylphenoxy)methyl]oxirane | [
{
"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-propan-2-ylphenoxy)methyl]oxirane",
"role": "assistant"
}
] |
261 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][C][Ring1][=C][=O]",
"smiles": "CCOC(=O)C1CN(CC)c2nc(SC)ncc2C1=O"
} | ethyl 8-ethyl-2-methylsulfanyl-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate | [
{
"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": "ethyl 8-ethyl-2-methylsulfanyl-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate",
"role": "assistant"
}
] |
262 | {
"selfies": "[C][O][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][O][Ring1][#C]",
"smiles": "COC1(C)CCc2c(C)c(O)c(C)c(C)c2O1"
} | 2-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-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": "2-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol",
"role": "assistant"
}
] |
264 | {
"selfies": "[O][=C][Branch1][C][S][S][S][S][S][C][=Branch1][C][=O][S]",
"smiles": "O=C(S)SSSSC(=O)S"
} | (sulfanylcarbonyltetrasulfanyl)methanethioic S-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": "(sulfanylcarbonyltetrasulfanyl)methanethioic S-acid",
"role": "assistant"
}
] |
265 | {
"selfies": "[N][#C][S][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]",
"smiles": "N#CSc1ccc(N)c([N+](=O)[O-])c1"
} | (4-amino-3-nitrophenyl) thiocyanate | [
{
"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-amino-3-nitrophenyl) thiocyanate",
"role": "assistant"
}
] |
266 | {
"selfies": "[S][=C][Branch1][C][S][C][C][C][C][N][Ring1][Branch1]",
"smiles": "S=C(S)C1CCCN1"
} | (2S)-pyrrolidine-2-carbodithioic 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)-pyrrolidine-2-carbodithioic acid",
"role": "assistant"
}
] |
267 | {
"selfies": "[Eu+3]",
"smiles": "[Eu+3]"
} | europium(3+) | [
{
"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": "europium(3+)",
"role": "assistant"
}
] |
268 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][=C][Ring2][Ring1][Branch1]",
"smiles": "Cc1ccc(C)c(Oc2cccc(C(=O)NC(C)(C)C)c2)c1"
} | N-tert-butyl-3-(2,5-dimethylphenoxy)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-tert-butyl-3-(2,5-dimethylphenoxy)benzamide",
"role": "assistant"
}
] |
270 | {
"selfies": "[C][C][=C][C][Branch1][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][=Branch2]",
"smiles": "CC1=CC(C)CC(CO)C1"
} | (3,5-dimethylcyclohex-3-en-1-yl)methanol | [
{
"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": "(3,5-dimethylcyclohex-3-en-1-yl)methanol",
"role": "assistant"
}
] |
271 | {
"selfies": "[C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCCC(=O)C(C)CC(=O)OCC"
} | ethyl 3-methyl-4-oxoheptanoate | [
{
"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": "ethyl 3-methyl-4-oxoheptanoate",
"role": "assistant"
}
] |
272 | {
"selfies": "[N][#C][C][C][N][Branch1][Branch1][C][C][C][#N][C][C][Branch1][C][O][C][O]",
"smiles": "N#CCCN(CCC#N)CC(O)CO"
} | 3-[2-cyanoethyl(2,3-dihydroxypropyl)amino]propanenitrile | [
{
"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-cyanoethyl(2,3-dihydroxypropyl)amino]propanenitrile",
"role": "assistant"
}
] |
274 | {
"selfies": "[C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][B][Branch1][#C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C]",
"smiles": "COC(C)COC(C)COB(OCC(C)OCC(C)OC)OCC(C)OCC(C)OC"
} | tris[2-(2-methoxypropoxy)propyl] borate | [
{
"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": "tris[2-(2-methoxypropoxy)propyl] borate",
"role": "assistant"
}
] |
276 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][Si][Branch1][C][C][Branch1][Ring2][O][C][C][O][C][C]",
"smiles": "CCCCCCCCCCCC[Si](C)(OCC)OCC"
} | dodecyl-diethoxy-methylsilane | [
{
"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": "dodecyl-diethoxy-methylsilane",
"role": "assistant"
}
] |
277 | {
"selfies": "[C][O][C][Branch1][=C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][O][C]",
"smiles": "COC(CC(C)CCCC(C)C)OC"
} | 1,1-dimethoxy-3,7-dimethyloctane | [
{
"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": "1,1-dimethoxy-3,7-dimethyloctane",
"role": "assistant"
}
] |
278 | {
"selfies": "[C][C][Branch1][C][Br][C][C][C][C][Branch1][C][Cl][C][Branch1][C][Br][C][C][Branch1][C][Br][C][Cl]",
"smiles": "CC(Br)CCCC(Cl)C(Br)CC(Br)CCl"
} | 2,4,9-tribromo-1,5-dichlorodecane | [
{
"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": "2,4,9-tribromo-1,5-dichlorodecane",
"role": "assistant"
}
] |
279 | {
"selfies": "[O][=C][Branch2][Ring1][P][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][=N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][Ring2][N][=N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]",
"smiles": "O=C(Nc1ccc(N=Nc2c(O)ccc3ccccc23)cc1)c1ccc(N=Nc2c(O)ccc3ccccc23)cc1"
} | 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-N-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]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": "4-[(2-hydroxynaphthalen-1-yl)diazenyl]-N-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzamide",
"role": "assistant"
}
] |
280 | {
"selfies": "[C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][C][C][Ring1][=Branch1][=O]",
"smiles": "CCCC(=O)OC1=C(C)CCC1=O"
} | (2-methyl-5-oxocyclopenten-1-yl) butanoate | [
{
"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-methyl-5-oxocyclopenten-1-yl) butanoate",
"role": "assistant"
}
] |
281 | {
"selfies": "[C][C][C][=Branch1][C][=O][O][C][C][N][Branch1][Branch1][C][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCC(=O)OCCN(CCC#N)c1ccccc1"
} | 2-[N-(2-cyanoethyl)anilino]ethyl propanoate | [
{
"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-[N-(2-cyanoethyl)anilino]ethyl propanoate",
"role": "assistant"
}
] |
283 | {
"selfies": "[C][C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C]",
"smiles": "CCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC(C)C"
} | 2,2-bis(hydroxymethyl)butyl 16-methylheptadecanoate | [
{
"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-bis(hydroxymethyl)butyl 16-methylheptadecanoate",
"role": "assistant"
}
] |
284 | {
"selfies": "[N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NC(CCc1ccccc1)c1ccccc1"
} | 1,3-diphenylpropan-1-amine | [
{
"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": "1,3-diphenylpropan-1-amine",
"role": "assistant"
}
] |
285 | {
"selfies": "[C][C][C][C][C][N][Branch1][=N][C][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][=C]",
"smiles": "CC1CCCN(CN2CCCC(C)C2)C1"
} | 3-methyl-1-[(3-methylpiperidin-1-yl)methyl]piperidine | [
{
"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-methyl-1-[(3-methylpiperidin-1-yl)methyl]piperidine",
"role": "assistant"
}
] |
287 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=O]",
"smiles": "COC(=O)CN(C)C=O"
} | methyl 2-[formyl(methyl)amino]acetate | [
{
"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": "methyl 2-[formyl(methyl)amino]acetate",
"role": "assistant"
}
] |
289 | {
"selfies": "[C][C][Branch1][Branch2][C][C][N][C][C][C][#N][C][C][Branch1][C][C][Branch1][C][C][C][N]",
"smiles": "CC(CCNCCC#N)CC(C)(C)CN"
} | 3-[(6-amino-3,5,5-trimethylhexyl)amino]propanenitrile | [
{
"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-[(6-amino-3,5,5-trimethylhexyl)amino]propanenitrile",
"role": "assistant"
}
] |
290 | {
"selfies": "[C][C][C][=Branch2][Ring2][C][=C][C][S][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N+1][=Ring1][=N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][Ring1][#C][C][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O]",
"smiles": "CCC(=Cc1sc2cc(OC)c(OC)cc2[n+]1CCCS(=O)(=O)O)C=C1Oc2ccc(-c3ccccc3)cc2N1CCC(C)S(=O)(=O)O"
} | 4-[2-[2-[[5,6-dimethoxy-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonic 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": "4-[2-[2-[[5,6-dimethoxy-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonic acid",
"role": "assistant"
}
] |
291 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][O][C][Branch1][C][O][=C][Ring2][Ring1][Ring2]",
"smiles": "CC(C)(C)c1ccc(SSc2cc(C(C)(C)C)ccc2O)c(O)c1"
} | 4-tert-butyl-2-[(4-tert-butyl-2-hydroxyphenyl)disulfanyl]phenol | [
{
"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": "4-tert-butyl-2-[(4-tert-butyl-2-hydroxyphenyl)disulfanyl]phenol",
"role": "assistant"
}
] |
292 | {
"selfies": "[C][C][C][N][Branch1][C][C][C][C][C][=C][NH1][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][N][C][Ring1][P][O]",
"smiles": "CC1CN(C)C2Cc3c[nH]c4cccc(c34)C2C1O"
} | (6aR,9S,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-ol | [
{
"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": "(6aR,9S,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-ol",
"role": "assistant"
}
] |
293 | {
"selfies": "[C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C]",
"smiles": "CCC(=O)N1CC2CCC(C1)N2C(=O)CC"
} | 1-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propan-1-one | [
{
"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-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propan-1-one",
"role": "assistant"
}
] |
294 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]",
"smiles": "CN1C(=O)CC2(C1=O)c1ccccc1CCc1ccccc12"
} | 1-methylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2,5-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": "1-methylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2,5-dione",
"role": "assistant"
}
] |
295 | {
"selfies": "[C][C][C][C][C][=N][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C]",
"smiles": "CCCCC=NCCOC(=O)c1cccc(OC)c1OC"
} | 2-(pentylideneamino)ethyl 2,3-dimethoxybenzoate | [
{
"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-(pentylideneamino)ethyl 2,3-dimethoxybenzoate",
"role": "assistant"
}
] |
297 | {
"selfies": "[C][C][=C][C][=C][Branch1][#Branch2][N][N][=C][Branch1][Ring1][C][#N][C][#N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][S]",
"smiles": "Cc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1"
} | 2-[(4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile | [
{
"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-[(4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile",
"role": "assistant"
}
] |
298 | {
"selfies": "[C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][C][C][=C][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][=N]",
"smiles": "CCCCCOc1ccc(C(=O)CC(c2ccc(OCCCCC)cc2)C2CCCCC2=O)cc1"
} | 2-[3-oxo-1,3-bis(4-pentoxyphenyl)propyl]cyclohexan-1-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": "2-[3-oxo-1,3-bis(4-pentoxyphenyl)propyl]cyclohexan-1-one",
"role": "assistant"
}
] |
299 | {
"selfies": "[C][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][=Branch1][C][=O][N][C][C]",
"smiles": "CCCC(C)(COC(N)=O)COC(=O)NCC"
} | [2-(carbamoyloxymethyl)-2-methylpentyl] N-ethylcarbamate | [
{
"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-(carbamoyloxymethyl)-2-methylpentyl] N-ethylcarbamate",
"role": "assistant"
}
] |
303 | {
"selfies": "[C][C][=C][O][C][=C][C][Ring1][Branch1][=C][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][=C][=Ring1][#Branch1]",
"smiles": "Cc1c2occc2cc2ccc(=O)oc12"
} | 9-methylfuro[3,2-g]chromen-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": "9-methylfuro[3,2-g]chromen-7-one",
"role": "assistant"
}
] |
306 | {
"selfies": "[C][N][C][#N]",
"smiles": "CNC#N"
} | methylcyanamide | [
{
"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": "methylcyanamide",
"role": "assistant"
}
] |
307 | {
"selfies": "[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C]",
"smiles": "CCOP(=O)(OCC)OP(=S)(OC)OC"
} | dimethoxyphosphinothioyl diethyl phosphate | [
{
"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": "dimethoxyphosphinothioyl diethyl phosphate",
"role": "assistant"
}
] |
308 | {
"selfies": "[C][C][C][O][P][=Branch1][C][=O][Branch1][Branch1][O][C][C][Cl][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "CCCOP(=O)(OCCCl)Oc1ccc([N+](=O)[O-])cc1"
} | 2-chloroethyl (4-nitrophenyl) propyl phosphate | [
{
"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-chloroethyl (4-nitrophenyl) propyl phosphate",
"role": "assistant"
}
] |
309 | {
"selfies": "[O][C][C][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][C][Ring1][P][C][Ring2][Ring1][Branch1][C][Cl]",
"smiles": "OC1CCC2CN3CCc4c([nH]c5ccccc45)C3CC2C1CCl"
} | (1S,15R,18S,19R,20S)-19-(chloromethyl)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "(1S,15R,18S,19R,20S)-19-(chloromethyl)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol",
"role": "assistant"
}
] |
311 | {
"selfies": "[C][N][N][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][Cl][C][Ring1][=N][=O]",
"smiles": "Cn1ncc(N2CCOCC2)c(Cl)c1=O"
} | 4-chloro-2-methyl-5-morpholin-4-ylpyridazin-3-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-chloro-2-methyl-5-morpholin-4-ylpyridazin-3-one",
"role": "assistant"
}
] |
312 | {
"selfies": "[C][C][=N][C][=C][Branch1][O][C][S][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][=C][Ring1][=C][O]",
"smiles": "Cc1ncc(CSS(=O)(=O)O)c(CO)c1O"
} | 3-hydroxy-4-(hydroxymethyl)-2-methyl-5-(sulfosulfanylmethyl)pyridine | [
{
"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-hydroxy-4-(hydroxymethyl)-2-methyl-5-(sulfosulfanylmethyl)pyridine",
"role": "assistant"
}
] |
314 | {
"selfies": "[C][O][C][=N][C][Branch1][C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"smiles": "COc1nc(C)nc(OC)c1[N+](=O)[O-]"
} | 4,6-dimethoxy-2-methyl-5-nitropyrimidine | [
{
"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": "4,6-dimethoxy-2-methyl-5-nitropyrimidine",
"role": "assistant"
}
] |
315 | {
"selfies": "[C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]",
"smiles": "CC(NC(=O)C(Cc1ccccc1)NC(=O)CN)C(=O)NC(CC(=O)O)C(=O)O"
} | (2S)-2-[[(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]butanedioic 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": "(2S)-2-[[(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]butanedioic acid",
"role": "assistant"
}
] |
316 | {
"selfies": "[C][C][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][=N][C][C][Branch1][C][O][C][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]",
"smiles": "CC(CCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C"
} | 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate | [
{
"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-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate",
"role": "assistant"
}
] |
317 | {
"selfies": "[C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C]",
"smiles": "CC(=O)C(N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C"
} | N-(4-chloro-2-methylphenyl)-2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxobutanamide | [
{
"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-chloro-2-methylphenyl)-2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxobutanamide",
"role": "assistant"
}
] |
318 | {
"selfies": "[C][C][=C][C][Branch1][C][C][=C][Branch1][#C][S][C][C][N+1][=N][O][C][Branch1][C][O-1][=C][Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][C]",
"smiles": "Cc1cc(C)c(SCC[n+]2noc([O-])c2C)c(C)c1"
} | 4-methyl-3-[2-(2,4,6-trimethylphenyl)sulfanylethyl]oxadiazol-3-ium-5-olate | [
{
"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": "4-methyl-3-[2-(2,4,6-trimethylphenyl)sulfanylethyl]oxadiazol-3-ium-5-olate",
"role": "assistant"
}
] |
319 | {
"selfies": "[O][=C][Branch1][Branch1][N][C][C][Cl][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "O=C(NCCCl)Oc1ccc([N+](=O)[O-])cc1"
} | (4-nitrophenyl) N-(2-chloroethyl)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": "(4-nitrophenyl) N-(2-chloroethyl)carbamate",
"role": "assistant"
}
] |
320 | {
"selfies": "[C][C][C][Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "CCC(C)C(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1"
} | (2S)-6-amino-2-[[2-[[(2R)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-N-(4-nitrophenyl)hexanamide | [
{
"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": "(2S)-6-amino-2-[[2-[[(2R)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-N-(4-nitrophenyl)hexanamide",
"role": "assistant"
}
] |
321 | {
"selfies": "[C][C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][#Branch1][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][O][C][Branch1][C][C][O]",
"smiles": "CCC(C)C(NC(=O)C1CCC(=O)N1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)C(C)O)C(C)O"
} | (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[1-[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]butanediamide | [
{
"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": "(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[1-[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]butanediamide",
"role": "assistant"
}
] |
322 | {
"selfies": "[N][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Ring1][N][=O]",
"smiles": "NCC1CC(c2ccc(Cl)cc2)OC1=O"
} | 3-(aminomethyl)-5-(4-chlorophenyl)oxolan-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 of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "3-(aminomethyl)-5-(4-chlorophenyl)oxolan-2-one",
"role": "assistant"
}
] |
323 | {
"selfies": "[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][C][C][C][Ring1][#Branch2][Ring1][=Branch1]",
"smiles": "Oc1cccc2c1CCC1NCCCC21"
} | (4aR,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-7-ol | [
{
"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": "(4aR,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-7-ol",
"role": "assistant"
}
] |
324 | {
"selfies": "[C][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2]",
"smiles": "CNC(C)Cc1cc2c(cc1O)OCO2"
} | 6-[(2S)-2-(methylamino)propyl]-1,3-benzodioxol-5-ol | [
{
"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": "6-[(2S)-2-(methylamino)propyl]-1,3-benzodioxol-5-ol",
"role": "assistant"
}
] |
325 | {
"selfies": "[C][N][Branch1][C][C][C][=Branch1][C][=O][N][N][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "CN(C)C(=O)NN(CCCN)C(=O)Oc1ccc([N+](=O)[O-])cc1"
} | (4-nitrophenyl) N-(3-aminopropyl)-N-(dimethylcarbamoylamino)carbamate | [
{
"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-nitrophenyl) N-(3-aminopropyl)-N-(dimethylcarbamoylamino)carbamate",
"role": "assistant"
}
] |
326 | {
"selfies": "[C][O][C][C][C][C][Branch2][=Branch2][#Branch2][O][C][C][C][Branch2][Ring1][Ring1][C][O][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][C][C][Ring1][=Branch2][C][O][C][Ring1][#C][C][Branch1][C][C][C][C][C][Branch2][=Branch1][#C][C][Branch1][C][C][C][C][C][Branch2][Branch1][P][C][C][Branch1][C][O][C][Branch1][C][C][C][Branch2][Ring2][S][C][Branch1][C][C][C][O][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][Branch1][P][O][C][C][C][C][Branch1][Ring1][O][C][C][Branch1][C][C][O][Ring1][=Branch2][C][Ring2][Ring1][=Branch1][O][C][O][Ring2][Ring2][C][O][Ring2][Ring2][#Branch1][O][Ring2][Ring2][=N][O][C][Ring2][=Branch1][Ring1][C]",
"smiles": "COC1CCC(OC2CC(C3OC(C)(O)C(C)CC3C)OC2C2(C)CCC(C3(C)CCC4(CC(O)C(C)C(C(C)C5OC(O)(CC(=O)O)C(C)C(OC6CCC(OC)C(C)O6)C5OC)O4)O3)O2)OC1C"
} | 2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(2S,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3-methyloxan-2-yl]acetic 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": "2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(2S,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3-methyloxan-2-yl]acetic acid",
"role": "assistant"
}
] |
327 | {
"selfies": "[C][C][N][C][Branch1][Branch2][N][=N][N][Branch1][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C]",
"smiles": "CCn1c(N=NN(C)C)nc2c1c(=O)n(C)c(=O)n2C"
} | 8-(dimethylaminodiazenyl)-7-ethyl-1,3-dimethylpurine-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 of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "8-(dimethylaminodiazenyl)-7-ethyl-1,3-dimethylpurine-2,6-dione",
"role": "assistant"
}
] |
328 | {
"selfies": "[C][C][C][C][Sn][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][C][O][C]",
"smiles": "CCCC[Sn](CCCC)(CCCC)c1c(OC)ccc(C(=O)ON2C(=O)CCC2=O)c1OC"
} | (2,5-dioxopyrrolidin-1-yl) 2,4-dimethoxy-3-tributylstannylbenzoate | [
{
"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": "(2,5-dioxopyrrolidin-1-yl) 2,4-dimethoxy-3-tributylstannylbenzoate",
"role": "assistant"
}
] |
329 | {
"selfies": "[C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring2][Ring1][S][C]",
"smiles": "CC(C)C(C)CCC(C)C1CC(O)C2C3CCC4CC(O)CCC4(C)C3CCC12C"
} | (3S,5S,8R,9S,10S,13R,14S,15S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol | [
{
"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": "(3S,5S,8R,9S,10S,13R,14S,15S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol",
"role": "assistant"
}
] |
330 | {
"selfies": "[C][C][C][O][C][=C][C][=C][NH1][C][=C][Branch1][=Branch2][C][=C][C][N][C][C][Ring1][=Branch1][C][Ring1][O][=C][Ring1][#C]",
"smiles": "CCCOc1ccc2[nH]cc(C3=CCNCC3)c2c1"
} | 5-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | [
{
"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-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole",
"role": "assistant"
}
] |
331 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][Ring1][Branch2][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][P][=Ring1][#Branch1]",
"smiles": "Cc1cc2c(N)c(=O)occ2c2nc(N)n(C)c12"
} | 2,6-diamino-3,4-dimethylpyrano[3,4-e]benzimidazol-7-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": "2,6-diamino-3,4-dimethylpyrano[3,4-e]benzimidazol-7-one",
"role": "assistant"
}
] |
332 | {
"selfies": "[C][N][C][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][N][Branch1][C][C][C][Ring2][Ring1][O][Ring2][Ring1][Branch2]",
"smiles": "CN1CCC2(C)c3cc(OC(=O)N4CCc5ccccc5C4)ccc3N(C)C12"
} | [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate | [
{
"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": "[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate",
"role": "assistant"
}
] |
333 | {
"selfies": "[C][C][Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring1][C][=C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O]",
"smiles": "CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1C=CC(O)CC(O)CC(=O)O"
} | (3S,5R)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic 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": "(3S,5R)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid",
"role": "assistant"
}
] |
334 | {
"selfies": "[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][Branch1][#Branch1][C][Branch1][C][O][C][O][C][Ring1][=Branch2]",
"smiles": "Nc1ncnc2c1ncn2C1C=CC(C(O)CO)C1"
} | 1-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]ethane-1,2-diol | [
{
"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-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]ethane-1,2-diol",
"role": "assistant"
}
] |
335 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][=N][Ring1][#Branch1]",
"smiles": "Cc1ccc(O)cc1CCC1C(=O)CC(O)C2(C)C(=O)CCC12"
} | (3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-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 of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione",
"role": "assistant"
}
] |
336 | {
"selfies": "[C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][O]",
"smiles": "CCCCCCCCC(O)CCCCCCC=CC(=O)O"
} | 10-hydroxyoctadec-2-enoic 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": "10-hydroxyoctadec-2-enoic acid",
"role": "assistant"
}
] |
337 | {
"selfies": "[N-1][=N+1][=N][C][=C][C][=C][C][=C][Branch1][Ring2][N][=C][=S][C][=C][C][=C][Ring1][=N][Ring1][=Branch2]",
"smiles": "[N-]=[N+]=Nc1cccc2c(N=C=S)cccc12"
} | 1-azido-5-isothiocyanatonaphthalene | [
{
"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-azido-5-isothiocyanatonaphthalene",
"role": "assistant"
}
] |
338 | {
"selfies": "[N][C][=Branch1][C][=O][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NC(=O)NNCCc1ccccc1"
} | (2-phenylethylamino)urea | [
{
"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-phenylethylamino)urea",
"role": "assistant"
}
] |
339 | {
"selfies": "[N][C][Branch2][#Branch1][=Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Branch1][S][C][S][S][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]",
"smiles": "NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O"
} | (2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-[N-(carboxymethyl)-2,4,6-trinitroanilino]-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic 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": "(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-[N-(carboxymethyl)-2,4,6-trinitroanilino]-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",
"role": "assistant"
}
] |
341 | {
"selfies": "[C][C][O][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][O][C][Ring1][O][O]",
"smiles": "CC1OC(OP(=O)(O)O)C(O)C1O"
} | [(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl] dihydrogen phosphate | [
{
"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": "[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl] dihydrogen phosphate",
"role": "assistant"
}
] |
343 | {
"selfies": "[C][=C][N][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2]",
"smiles": "c1cnc2nccnc2n1"
} | pyrazino[2,3-b]pyrazine | [
{
"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": "pyrazino[2,3-b]pyrazine",
"role": "assistant"
}
] |
344 | {
"selfies": "[F][C][=C][C][=C][S][Ring1][Branch1]",
"smiles": "Fc1cccs1"
} | 2-fluorothiophene | [
{
"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-fluorothiophene",
"role": "assistant"
}
] |
345 | {
"selfies": "[C][Si][Branch1][C][C][Branch1][C][C][O][Si][Branch1][C][C][Branch1][#Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)c1ccccc1"
} | trimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilane | [
{
"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": "trimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilane",
"role": "assistant"
}
] |
346 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)cc1C(C)(C)C"
} | 1,2,4,5-tetratert-butylbenzene | [
{
"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": "1,2,4,5-tetratert-butylbenzene",
"role": "assistant"
}
] |
347 | {
"selfies": "[O][=C][C][C][=C][C][=C][C][Ring1][#Branch1]",
"smiles": "O=C1CC=CC=CC1"
} | cyclohepta-3,5-dien-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": "cyclohepta-3,5-dien-1-one",
"role": "assistant"
}
] |
348 | {
"selfies": "[C][C][C][=C][O][C][C]",
"smiles": "CCC=COCC"
} | 1-ethoxybut-1-ene | [
{
"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-ethoxybut-1-ene",
"role": "assistant"
}
] |
349 | {
"selfies": "[C][C][C][C][C][O][C][Branch1][C][C][C]",
"smiles": "CCCCCOC(C)C"
} | 1-propan-2-yloxypentane | [
{
"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-propan-2-yloxypentane",
"role": "assistant"
}
] |
350 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1]",
"smiles": "CC(C)(C)c1ccco1"
} | 2-tert-butylfuran | [
{
"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-tert-butylfuran",
"role": "assistant"
}
] |
351 | {
"selfies": "[C][#C][S][C]",
"smiles": "C#CSC"
} | methylsulfanylethyne | [
{
"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": "methylsulfanylethyne",
"role": "assistant"
}
] |
352 | {
"selfies": "[Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O]",
"smiles": "Clc1ccc2c(c1)Sc1ccccc1O2"
} | 2-chlorophenoxathiine | [
{
"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-chlorophenoxathiine",
"role": "assistant"
}
] |
353 | {
"selfies": "[C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C]",
"smiles": "CCCC(C)C(C)CCC"
} | 4,5-dimethyloctane | [
{
"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": "4,5-dimethyloctane",
"role": "assistant"
}
] |
354 | {
"selfies": "[C][C][=C][C][=C][C][Branch1][#C][N][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][=C][Ring1][S]",
"smiles": "Cc1cccc(N=Nc2cc(C)ccc2O)c1"
} | 4-methyl-2-[(3-methylphenyl)diazenyl]phenol | [
{
"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-methyl-2-[(3-methylphenyl)diazenyl]phenol",
"role": "assistant"
}
] |
355 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C]",
"smiles": "COC(=O)CC(C)(C)CC(=O)OC"
} | dimethyl 3,3-dimethylpentanedioate | [
{
"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": "dimethyl 3,3-dimethylpentanedioate",
"role": "assistant"
}
] |
356 | {
"selfies": "[C][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"smiles": "CCCCc1ccc(F)cc1"
} | 1-butyl-4-fluorobenzene | [
{
"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-butyl-4-fluorobenzene",
"role": "assistant"
}
] |
357 | {
"selfies": "[C][=C][C][Branch1][Ring1][C][=C][Branch1][Ring1][C][=C][C][=C]",
"smiles": "C=CC(C=C)(C=C)C=C"
} | 3,3-bis(ethenyl)penta-1,4-diene | [
{
"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": "3,3-bis(ethenyl)penta-1,4-diene",
"role": "assistant"
}
] |
358 | {
"selfies": "[C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N+1][=Branch1][C][=O][O-1]",
"smiles": "CC([N+](=O)[O-])([N+](=O)[O-])C(C)([N+](=O)[O-])[N+](=O)[O-]"
} | 2,2,3,3-tetranitrobutane | [
{
"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": "2,2,3,3-tetranitrobutane",
"role": "assistant"
}
] |
359 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]",
"smiles": "COC(=O)CCCc1ccc(Oc2ccccc2)cc1"
} | methyl 4-(4-phenoxyphenyl)butanoate | [
{
"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": "methyl 4-(4-phenoxyphenyl)butanoate",
"role": "assistant"
}
] |
360 | {
"selfies": "[O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N]",
"smiles": "Oc1cccc(N2CCOCC2)c1"
} | 3-morpholin-4-ylphenol | [
{
"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-morpholin-4-ylphenol",
"role": "assistant"
}
] |