id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
|---|---|---|---|
493 | {
"selfies": "[C][#C][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C]",
"smiles": "C#CC1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC21C"
} | (5S,8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-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": "(5S,8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one",
"role": "assistant"
}
] |
495 | {
"selfies": "[C][O][C][C][C][C][Branch1][=N][C][C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][P][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][N][O][Ring1][N]",
"smiles": "COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5"
} | (2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol | [
{
"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,6R,14R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol",
"role": "assistant"
}
] |
496 | {
"selfies": "[C][C][C][C][C][C][C][C][N][Branch1][Ring1][N][=O][C][Branch1][C][N][=O]",
"smiles": "CCCCCCCCN(N=O)C(N)=O"
} | 1-nitroso-1-octylurea | [
{
"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-nitroso-1-octylurea",
"role": "assistant"
}
] |
498 | {
"selfies": "[C][C][Branch1][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Branch1][C][N][C][C][=Branch1][C][=O][N][N][Branch1][C][C][C][C][=Branch1][C][=O][O]",
"smiles": "CC(C)CC(N)C(=O)NCC(O)CC(N)CC(=O)NN(C)CC(=O)O"
} | 2-[[[(3R,5R)-3-amino-6-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-hydroxyhexanoyl]amino]-methylamino]acetic 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": "2-[[[(3R,5R)-3-amino-6-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-hydroxyhexanoyl]amino]-methylamino]acetic acid",
"role": "assistant"
}
] |
501 | {
"selfies": "[C][N][C][C][C][Branch1][Ring1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C]",
"smiles": "CN1CCC(CO)(c2ccccc2)CC1"
} | (1-methyl-4-phenylpiperidin-4-yl)methanol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "(1-methyl-4-phenylpiperidin-4-yl)methanol",
"role": "assistant"
}
] |
502 | {
"selfies": "[C][=C][C][=C][Branch2][Ring1][Ring1][N][N+1][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring2][Ring1][C]",
"smiles": "c1ccc(N[n+]2cnn(-c3ccccc3)c2)cc1"
} | N,1-diphenyl-1,2,4-triazol-4-ium-4-amine | [
{
"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,1-diphenyl-1,2,4-triazol-4-ium-4-amine",
"role": "assistant"
}
] |
503 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][P][=Branch1][C][=O][Branch1][=Branch2][C][N][Branch1][Ring1][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C]",
"smiles": "CCN(CC)CP(=O)(CN(CC)CC)CN(CC)CC"
} | N-[bis(diethylaminomethyl)phosphorylmethyl]-N-ethylethanamine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "N-[bis(diethylaminomethyl)phosphorylmethyl]-N-ethylethanamine",
"role": "assistant"
}
] |
504 | {
"selfies": "[C][=C][C][=C][Branch1][Branch2][C][=N][C][C][S][Ring1][Branch1][C][=C][Ring1][O]",
"smiles": "c1ccc(C2=NCCS2)cc1"
} | 2-phenyl-4,5-dihydro-1,3-thiazole | [
{
"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-phenyl-4,5-dihydro-1,3-thiazole",
"role": "assistant"
}
] |
505 | {
"selfies": "[C][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][C][C][C][C]",
"smiles": "CCCNC(=O)C(CCC)CCC"
} | N,2-dipropylpentanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "N,2-dipropylpentanamide",
"role": "assistant"
}
] |
506 | {
"selfies": "[C][C][C][N][C][C][N][Branch1][=Branch1][C][=Branch1][C][=S][S][C][C][Ring1][=Branch2]",
"smiles": "CCCN1CCN(C(=S)S)CC1"
} | 4-propylpiperazine-1-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 of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "4-propylpiperazine-1-carbodithioic acid",
"role": "assistant"
}
] |
507 | {
"selfies": "[O][C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "OCC(CN1CCOCC1)c1ccccc1"
} | 3-morpholin-4-yl-2-phenylpropan-1-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": "3-morpholin-4-yl-2-phenylpropan-1-ol",
"role": "assistant"
}
] |
509 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][C][C][C][C][Branch1][C][C][Branch2][Ring1][N][C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][Branch1][C][C][C]",
"smiles": "CCN(CC)CC1C2CCC(C)(C1OC(=O)C(c1ccccc1)c1ccccc1)C2(C)C"
} | [3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate | [
{
"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-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate",
"role": "assistant"
}
] |
510 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][O][C][C][C][C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]",
"smiles": "CCN(CC)CCOCC12CCC(c3ccccc31)c1ccccc12"
} | N,N-diethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanamine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "N,N-diethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanamine",
"role": "assistant"
}
] |
511 | {
"selfies": "[O][=C][Branch1][N][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(CCN1CCCCCC1)c1ccccc1"
} | 3-(azepan-1-yl)-1-phenylpropan-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": "3-(azepan-1-yl)-1-phenylpropan-1-one",
"role": "assistant"
}
] |
515 | {
"selfies": "[C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][N][Branch1][C][C][C][C][Ring1][=C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][C]",
"smiles": "CCC(=O)OC1(c2ccccc2)CC(C)N(C)CC1(C)CN(CC)CC"
} | [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "[5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate",
"role": "assistant"
}
] |
516 | {
"selfies": "[C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "Cc1c(N(C)C)c(=O)[nH]c(=O)n1-c1ccccc1"
} | 5-(dimethylamino)-6-methyl-1-phenylpyrimidine-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-(dimethylamino)-6-methyl-1-phenylpyrimidine-2,4-dione",
"role": "assistant"
}
] |
517 | {
"selfies": "[C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O]",
"smiles": "CC1CC(c2ccccc2)=NN(CCN2CCOCC2)C1=O"
} | 4-methyl-2-(2-morpholin-4-ylethyl)-6-phenyl-4,5-dihydropyridazin-3-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": "4-methyl-2-(2-morpholin-4-ylethyl)-6-phenyl-4,5-dihydropyridazin-3-one",
"role": "assistant"
}
] |
518 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]",
"smiles": "CC(C)(C)NCC(O)COCC1COc2ccccc2O1"
} | 1-(tert-butylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-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": "1-(tert-butylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol",
"role": "assistant"
}
] |
519 | {
"selfies": "[C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCC(NC(=O)C1CCCN1)(C(=O)NCC(N)=O)c1ccccc1"
} | (2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-2-phenylbutan-2-yl]pyrrolidine-2-carboxamide | [
{
"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)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-2-phenylbutan-2-yl]pyrrolidine-2-carboxamide",
"role": "assistant"
}
] |
521 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][=C][Ring1][=N][Cl]",
"smiles": "CCN(CC)S(=O)(=O)c1ccc(OP(=S)(OC)OC)cc1Cl"
} | 2-chloro-4-dimethoxyphosphinothioyloxy-N,N-diethylbenzenesulfonamide | [
{
"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-chloro-4-dimethoxyphosphinothioyloxy-N,N-diethylbenzenesulfonamide",
"role": "assistant"
}
] |
522 | {
"selfies": "[C][O][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N][O][C]",
"smiles": "COc1cc(C(=O)CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC"
} | 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-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": "3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one",
"role": "assistant"
}
] |
523 | {
"selfies": "[C][C][C][N][Branch2][Ring1][Branch2][C][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1]",
"smiles": "CCCN(CCN1CCN(C(=O)OCC(C)C)CC1)C1CCCCC1"
} | 2-methylpropyl 4-[2-[cyclohexyl(propyl)amino]ethyl]piperazine-1-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "2-methylpropyl 4-[2-[cyclohexyl(propyl)amino]ethyl]piperazine-1-carboxylate",
"role": "assistant"
}
] |
524 | {
"selfies": "[C][C][C][C][C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][C]",
"smiles": "CCCCCCOc1ccc(C(=O)CCN2CCCCC2)cc1CC"
} | 1-(3-ethyl-4-hexoxyphenyl)-3-piperidin-1-ylpropan-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": "1-(3-ethyl-4-hexoxyphenyl)-3-piperidin-1-ylpropan-1-one",
"role": "assistant"
}
] |
527 | {
"selfies": "[N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring1][=C]",
"smiles": "NC(=O)c1cc(=O)c2cc([N+](=O)[O-])ccc2o1"
} | 6-nitro-4-oxochromene-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": "6-nitro-4-oxochromene-2-carboxamide",
"role": "assistant"
}
] |
528 | {
"selfies": "[C][C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][S][C]",
"smiles": "Cc1nc(NC(=O)Nc2ccc(Cl)cc2)oc1C"
} | 1-(4-chlorophenyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea | [
{
"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-chlorophenyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea",
"role": "assistant"
}
] |
529 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1]",
"smiles": "COc1ccccc1OC(=O)c1cccs1"
} | (2-methoxyphenyl) thiophene-2-carboxylate | [
{
"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-methoxyphenyl) thiophene-2-carboxylate",
"role": "assistant"
}
] |
531 | {
"selfies": "[O][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][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": "O=C(OCCN1CCCCC1)C1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1"
} | 2-piperidin-1-ylethyl 2,2-bis(4-chlorophenyl)cyclopropane-1-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "2-piperidin-1-ylethyl 2,2-bis(4-chlorophenyl)cyclopropane-1-carboxylate",
"role": "assistant"
}
] |
532 | {
"selfies": "[C][C][C][C][Branch1][C][C][Branch1][C][C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C]",
"smiles": "CC1CC(C)(C)N=C(Nc2ccccc2)O1"
} | 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine",
"role": "assistant"
}
] |
535 | {
"selfies": "[I][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][N][C][C][S][C][Ring1][Branch1][N][=C][Ring1][P]",
"smiles": "Ic1ccc(OCCCCCN2CCSC2)nc1"
} | 3-[5-(5-iodopyridin-2-yl)oxypentyl]-1,3-thiazolidine | [
{
"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-[5-(5-iodopyridin-2-yl)oxypentyl]-1,3-thiazolidine",
"role": "assistant"
}
] |
536 | {
"selfies": "[Cl][C][=C][C][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][Branch1][C][Cl][=C][Ring1][N]",
"smiles": "Clc1ccc(OCC2CO2)c(Cl)c1"
} | 2-[(2,4-dichlorophenoxy)methyl]oxirane | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "2-[(2,4-dichlorophenoxy)methyl]oxirane",
"role": "assistant"
}
] |
537 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][N]",
"smiles": "CC(C)CCCN"
} | 4-methylpentan-1-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "4-methylpentan-1-amine",
"role": "assistant"
}
] |
538 | {
"selfies": "[O][=S][=Branch1][C][=O][Branch1][=C][C][C][Branch1][C][Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=S(=O)(CC(Br)c1ccccc1)c1ccccc1"
} | [2-(benzenesulfonyl)-1-bromoethyl]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": "[2-(benzenesulfonyl)-1-bromoethyl]benzene",
"role": "assistant"
}
] |
539 | {
"selfies": "[O][=N][C][Branch1][#Branch1][C][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=NC(C[N+](=O)[O-])c1ccccc1"
} | (2-nitro-1-nitrosoethyl)benzene | [
{
"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-nitro-1-nitrosoethyl)benzene",
"role": "assistant"
}
] |
540 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][C][C][=O][C][=C][Ring1][#Branch2]",
"smiles": "COc1ccc(C(C)C=O)cc1"
} | 2-(4-methoxyphenyl)propanal | [
{
"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-methoxyphenyl)propanal",
"role": "assistant"
}
] |
541 | {
"selfies": "[O][=S][Branch1][Branch1][O][C][C][Cl][O][C][C][Cl]",
"smiles": "O=S(OCCCl)OCCCl"
} | bis(2-chloroethyl) sulfite | [
{
"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": "bis(2-chloroethyl) sulfite",
"role": "assistant"
}
] |
542 | {
"selfies": "[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"smiles": "CC(C)c1ccc(C(=O)C(C(c2ccccc2)N2CCOCC2)N2CCOCC2)c(C(C)C)c1"
} | 1-[2,4-di(propan-2-yl)phenyl]-2,3-dimorpholin-4-yl-3-phenylpropan-1-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": "1-[2,4-di(propan-2-yl)phenyl]-2,3-dimorpholin-4-yl-3-phenylpropan-1-one",
"role": "assistant"
}
] |
543 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][S]",
"smiles": "COc1ccc(C(=O)Oc2ccc(Br)cc2)cc1"
} | (4-bromophenyl) 4-methoxybenzoate | [
{
"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": "(4-bromophenyl) 4-methoxybenzoate",
"role": "assistant"
}
] |
544 | {
"selfies": "[O][=C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "O=C(Oc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1"
} | naphthalen-2-yl 4-nitrobenzoate | [
{
"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": "naphthalen-2-yl 4-nitrobenzoate",
"role": "assistant"
}
] |
545 | {
"selfies": "[C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C]",
"smiles": "CCCCNC(=O)C(C)C"
} | N-butyl-2-methylpropanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-butyl-2-methylpropanamide",
"role": "assistant"
}
] |
546 | {
"selfies": "[C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][C][Cl][=C][C][=C][Ring1][O][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "Cc1cc(OC(=O)CCl)ccc1C(C)(C)C"
} | (4-tert-butyl-3-methylphenyl) 2-chloroacetate | [
{
"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-tert-butyl-3-methylphenyl) 2-chloroacetate",
"role": "assistant"
}
] |
547 | {
"selfies": "[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][C][C][C][Branch1][C][C][C][=Branch2][Ring2][Ring2][=C][C][C][C][Ring1][#Branch1][C][C][C][Branch1][C][C][C][Branch1][=N][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][Ring2][Ring1][C][Ring1][=C][C][Ring2][Ring1][O]",
"smiles": "CCOP(=S)(OCC)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1"
} | [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane | [
{
"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": "[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane",
"role": "assistant"
}
] |
548 | {
"selfies": "[C][C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][NH1][Ring1][=Branch1][C][=C][Ring1][#C]",
"smiles": "CCOc1ccc(NC(=O)c2cnc(C)[nH]2)cc1"
} | N-(4-ethoxyphenyl)-2-methyl-1H-imidazole-5-carboxamide | [
{
"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": "N-(4-ethoxyphenyl)-2-methyl-1H-imidazole-5-carboxamide",
"role": "assistant"
}
] |
549 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCOC(=O)CC(Cc1ccc2c(c1)OCO2)C(=O)OCC"
} | diethyl 2-(1,3-benzodioxol-5-ylmethyl)butanedioate | [
{
"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": "diethyl 2-(1,3-benzodioxol-5-ylmethyl)butanedioate",
"role": "assistant"
}
] |
550 | {
"selfies": "[N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"smiles": "Nc1c(F)c(F)cc(F)c1[N+](=O)[O-]"
} | 2,3,5-trifluoro-6-nitroaniline | [
{
"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": "2,3,5-trifluoro-6-nitroaniline",
"role": "assistant"
}
] |
551 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F]",
"smiles": "COc1ccc([N+](=O)[O-])cc1F"
} | 2-fluoro-1-methoxy-4-nitrobenzene | [
{
"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-fluoro-1-methoxy-4-nitrobenzene",
"role": "assistant"
}
] |
552 | {
"selfies": "[C][C][Branch1][C][C][C][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][P]",
"smiles": "CC1(C)CN=C(NS(=O)(=O)c2ccc(N)cc2)S1"
} | 4-amino-N-(5,5-dimethyl-4H-1,3-thiazol-2-yl)benzenesulfonamide | [
{
"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-amino-N-(5,5-dimethyl-4H-1,3-thiazol-2-yl)benzenesulfonamide",
"role": "assistant"
}
] |
553 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][O][C][Branch1][C][N][=O]",
"smiles": "CCCCCCCCCCOC(N)=O"
} | decyl carbamate | [
{
"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": "decyl carbamate",
"role": "assistant"
}
] |
554 | {
"selfies": "[C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=C][Ring1][=N]",
"smiles": "CNC(=O)Oc1cc(C)c(OC(=O)NC)c(C)c1"
} | [3,5-dimethyl-4-(methylcarbamoyloxy)phenyl] 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 represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "[3,5-dimethyl-4-(methylcarbamoyloxy)phenyl] N-methylcarbamate",
"role": "assistant"
}
] |
555 | {
"selfies": "[C][C][Branch1][Branch2][C][N][C][Branch1][C][N][=O][N][C][Branch1][C][N][=O]",
"smiles": "CC(CNC(N)=O)NC(N)=O"
} | 1-(carbamoylamino)propan-2-ylurea | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "1-(carbamoylamino)propan-2-ylurea",
"role": "assistant"
}
] |
556 | {
"selfies": "[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][As][Branch1][N][S][C][C][Branch1][C][N][C][=Branch1][C][=O][O][S][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1]",
"smiles": "NC(=O)c1ccc([As](SCC(N)C(=O)O)SCC(N)C(=O)O)cc1"
} | 2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl-(4-carbamoylphenyl)arsanyl]sulfanylpropanoic 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": "2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl-(4-carbamoylphenyl)arsanyl]sulfanylpropanoic acid",
"role": "assistant"
}
] |
557 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][N][C][C][C][#N]",
"smiles": "CCN(CC)CCCC(C)NCCC#N"
} | 3-[5-(diethylamino)pentan-2-ylamino]propanenitrile | [
{
"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-[5-(diethylamino)pentan-2-ylamino]propanenitrile",
"role": "assistant"
}
] |
558 | {
"selfies": "[N][C][=Branch1][C][=O][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"smiles": "NC(=O)SCC(=O)Nc1ccc2ccccc2c1"
} | S-[2-(naphthalen-2-ylamino)-2-oxoethyl] carbamothioate | [
{
"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": "S-[2-(naphthalen-2-ylamino)-2-oxoethyl] carbamothioate",
"role": "assistant"
}
] |
559 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][=C][Ring1][P]",
"smiles": "CC(=O)Nc1ccc(S(=O)(=O)Oc2nccnc2N)cc1"
} | (3-aminopyrazin-2-yl) 4-acetamidobenzenesulfonate | [
{
"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-aminopyrazin-2-yl) 4-acetamidobenzenesulfonate",
"role": "assistant"
}
] |
560 | {
"selfies": "[O][C][Branch2][Ring1][#Branch2][N][C][S][C][=Branch1][C][=S][N][Branch1][=N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][Ring1][=N][C][Branch1][C][Cl][Branch1][C][Cl][Cl]",
"smiles": "OC(N1CSC(=S)N(C(O)C(Cl)(Cl)Cl)C1)C(Cl)(Cl)Cl"
} | 3,5-bis(2,2,2-trichloro-1-hydroxyethyl)-1,3,5-thiadiazinane-2-thione | [
{
"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-bis(2,2,2-trichloro-1-hydroxyethyl)-1,3,5-thiadiazinane-2-thione",
"role": "assistant"
}
] |
561 | {
"selfies": "[C][=C][C][Branch1][C][O][C][N][Branch1][Ring1][C][C][C][C]",
"smiles": "C=CC(O)CN(CC)CC"
} | 1-(diethylamino)but-3-en-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-(diethylamino)but-3-en-2-ol",
"role": "assistant"
}
] |
562 | {
"selfies": "[C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N+1][Branch1][C][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-])C(C)([N+](=O)[O-])[N+](=O)[O-]"
} | N-(1,1-dinitroethyl)-1-nitroethanimine 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": "N-(1,1-dinitroethyl)-1-nitroethanimine oxide",
"role": "assistant"
}
] |
563 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][=N][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][C][O]",
"smiles": "CCCCCCCCCCCC1=NC(C)(C)CN1CCO"
} | 2-(5,5-dimethyl-2-undecyl-4H-imidazol-3-yl)ethanol | [
{
"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-(5,5-dimethyl-2-undecyl-4H-imidazol-3-yl)ethanol",
"role": "assistant"
}
] |
564 | {
"selfies": "[C][C][Branch1][C][C][=C][C][C][=C][C][=Branch2][Ring1][P][=C][O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1][O][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch2]",
"smiles": "CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)CCC(C)(C)O2"
} | 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one | [
{
"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-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one",
"role": "assistant"
}
] |
565 | {
"selfies": "[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]",
"smiles": "CCOP(=O)(OCC)Oc1ccc2c(c1)OCO2"
} | 1,3-benzodioxol-5-yl diethyl phosphate | [
{
"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": "1,3-benzodioxol-5-yl diethyl phosphate",
"role": "assistant"
}
] |
566 | {
"selfies": "[O][=C][Branch1][C][O][C][=C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "O=C(O)C=CC(=O)N1CCOCC1"
} | 4-morpholin-4-yl-4-oxobut-2-enoic 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-morpholin-4-yl-4-oxobut-2-enoic acid",
"role": "assistant"
}
] |
567 | {
"selfies": "[C][C][=C][C][Branch1][C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][NH1][C][Ring1][=Branch2][=C][Ring1][=C]",
"smiles": "Cc1cc(C)c2c(CC(=O)O)c[nH]c2c1"
} | 2-(4,6-dimethyl-1H-indol-3-yl)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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "2-(4,6-dimethyl-1H-indol-3-yl)acetic acid",
"role": "assistant"
}
] |
568 | {
"selfies": "[C][C][O][C][=C][C][=C][NH1][C][Branch1][C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=C][Ring1][=C]",
"smiles": "CCOc1ccc2[nH]c(C)c(CC(=O)O)c2c1"
} | 2-(5-ethoxy-2-methyl-1H-indol-3-yl)acetic 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": "2-(5-ethoxy-2-methyl-1H-indol-3-yl)acetic acid",
"role": "assistant"
}
] |
569 | {
"selfies": "[C][C][C][C][C][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][C]",
"smiles": "CCCCCCC(C)S(=O)(=O)OCCCCOS(=O)(=O)C(C)CCCCCC"
} | 4-octan-2-ylsulfonyloxybutyl octane-2-sulfonate | [
{
"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-octan-2-ylsulfonyloxybutyl octane-2-sulfonate",
"role": "assistant"
}
] |
570 | {
"selfies": "[C][N][Branch1][C][C][C][C][C][N][C][=N][C][Branch1][C][Cl][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C]",
"smiles": "CN(C)CCCNc1nc(Cl)nc2nc(-c3ccccc3)c(-c3ccccc3)nc12"
} | N-(2-chloro-6,7-diphenylpteridin-4-yl)-N',N'-dimethylpropane-1,3-diamine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "N-(2-chloro-6,7-diphenylpteridin-4-yl)-N',N'-dimethylpropane-1,3-diamine",
"role": "assistant"
}
] |
571 | {
"selfies": "[O][C][C][C][C][C][C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2]",
"smiles": "OC1CCCCC1n1cnc2c(Cl)ncnc21"
} | (1R,2S)-2-(6-chloropurin-9-yl)cyclohexan-1-ol | [
{
"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": "(1R,2S)-2-(6-chloropurin-9-yl)cyclohexan-1-ol",
"role": "assistant"
}
] |
572 | {
"selfies": "[C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"smiles": "CC(CC(=O)O)c1ccc(O)cc1"
} | 3-(4-hydroxyphenyl)butanoic 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": "3-(4-hydroxyphenyl)butanoic acid",
"role": "assistant"
}
] |
573 | {
"selfies": "[N][#C][C][C][=Branch1][C][=O][N][N][=C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][=Branch1][C][=O][O]",
"smiles": "N#CCC(=O)NN=CC(O)C(O)C(O)C(O)C(=O)O"
} | 6-[(2-cyanoacetyl)hydrazinylidene]-2,3,4,5-tetrahydroxyhexanoic 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": "6-[(2-cyanoacetyl)hydrazinylidene]-2,3,4,5-tetrahydroxyhexanoic acid",
"role": "assistant"
}
] |
574 | {
"selfies": "[C][C][O][P][=Branch1][C][=O][Branch2][Ring2][#Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][N][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1][O][C][C]",
"smiles": "CCOP(=O)(Cc1ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc1)OCC"
} | 2-[4-(diethoxyphosphorylmethyl)-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate | [
{
"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-[4-(diethoxyphosphorylmethyl)-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate",
"role": "assistant"
}
] |
575 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=C][Ring1][N]",
"smiles": "COC(=O)CCC(=O)c1ccc2cc(OC)ccc2c1"
} | methyl 4-(6-methoxynaphthalen-2-yl)-4-oxobutanoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "methyl 4-(6-methoxynaphthalen-2-yl)-4-oxobutanoate",
"role": "assistant"
}
] |
576 | {
"selfies": "[C][C][Branch2][Ring1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(OC(=O)c1ccccc1C(=O)OC(C)c1ccccc1)c1ccccc1"
} | bis(1-phenylethyl) benzene-1,2-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": "bis(1-phenylethyl) benzene-1,2-dicarboxylate",
"role": "assistant"
}
] |
577 | {
"selfies": "[C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][S][Branch1][C][N][=Branch1][C][=O][=O]",
"smiles": "Cc1cc(NC(=O)c2ccccc2)ccc1S(N)(=O)=O"
} | N-(3-methyl-4-sulfamoylphenyl)benzamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "N-(3-methyl-4-sulfamoylphenyl)benzamide",
"role": "assistant"
}
] |
578 | {
"selfies": "[C][C][C][C][C][Branch2][Ring2][=Branch2][C][Branch1][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C][N][C][Ring2][Ring1][=N]",
"smiles": "CC1CCC(C(C)C2C(O)CC3C4CCC5CC(O)CCC5(C)C4CCC32C)NC1"
} | (3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol | [
{
"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,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol",
"role": "assistant"
}
] |
579 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][N][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring2]",
"smiles": "COc1ccc(OC)c(N=Nc2cc(OC)ccc2OC)c1"
} | bis(2,5-dimethoxyphenyl)diazene | [
{
"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": "bis(2,5-dimethoxyphenyl)diazene",
"role": "assistant"
}
] |
580 | {
"selfies": "[C][C][C][C][S][C][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=C]",
"smiles": "CCCCSCN1CCN(c2ccccc2OC)CC1"
} | 1-(butylsulfanylmethyl)-4-(2-methoxyphenyl)piperazine | [
{
"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-(butylsulfanylmethyl)-4-(2-methoxyphenyl)piperazine",
"role": "assistant"
}
] |
581 | {
"selfies": "[C][C][C][C][S][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]",
"smiles": "CCCCSCN1CCN(c2ccccc2)CC1"
} | 1-(butylsulfanylmethyl)-4-phenylpiperazine | [
{
"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-(butylsulfanylmethyl)-4-phenylpiperazine",
"role": "assistant"
}
] |
582 | {
"selfies": "[C][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][C]",
"smiles": "CC1C(c2ccc3c(c2)OCO3)OC(c2ccc3c(c2)OCO3)C1C"
} | 5-[5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole | [
{
"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-[5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole",
"role": "assistant"
}
] |
583 | {
"selfies": "[Cl][C][=C][C][=C][Branch1][P][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C]",
"smiles": "Clc1ccc(SCc2cccc3ccccc23)cc1"
} | 1-[(4-chlorophenyl)sulfanylmethyl]naphthalene | [
{
"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-[(4-chlorophenyl)sulfanylmethyl]naphthalene",
"role": "assistant"
}
] |
585 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Cl]",
"smiles": "CCOC(=O)NCCCCCCl"
} | ethyl N-(5-chloropentyl)carbamate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "ethyl N-(5-chloropentyl)carbamate",
"role": "assistant"
}
] |
586 | {
"selfies": "[C][C][=Branch1][C][=O][C][C][Branch1][C][S][C][C][C][C][C][=C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C]",
"smiles": "CC(=O)C1C(S)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C"
} | 1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone | [
{
"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-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone",
"role": "assistant"
}
] |
587 | {
"selfies": "[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][Ring1][N][=O]",
"smiles": "Nc1cccc2c1C(=O)c1ccc(I)cc1C2=O"
} | 1-amino-6-iodoanthracene-9,10-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": "1-amino-6-iodoanthracene-9,10-dione",
"role": "assistant"
}
] |
589 | {
"selfies": "[C][N][C][=N][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][N][=C][N][=C][Ring1][=N][Ring1][S]",
"smiles": "Cn1cnc2c(N(CCO)CCO)ncnc21"
} | 2-[2-hydroxyethyl-(9-methylpurin-6-yl)amino]ethanol | [
{
"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-hydroxyethyl-(9-methylpurin-6-yl)amino]ethanol",
"role": "assistant"
}
] |
590 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][S][C][=C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][Ring1][#Branch1][C][=C][Ring1][#C]",
"smiles": "COc1ccc(C=CC2(C)OCC(C)O2)cc1"
} | 2-[2-(4-methoxyphenyl)ethenyl]-2,4-dimethyl-1,3-dioxolane | [
{
"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-(4-methoxyphenyl)ethenyl]-2,4-dimethyl-1,3-dioxolane",
"role": "assistant"
}
] |
591 | {
"selfies": "[C][C][C][C][C][C][C][O][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"smiles": "CCCCCCC1OCC(C)(C)C(C)O1"
} | 2-hexyl-4,5,5-trimethyl-1,3-dioxane | [
{
"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-hexyl-4,5,5-trimethyl-1,3-dioxane",
"role": "assistant"
}
] |
592 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][C][Branch1][Ring1][S][C][=N][Ring1][=Branch2]",
"smiles": "COC(=O)c1cc(Cl)nc(SC)n1"
} | methyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate | [
{
"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": "methyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate",
"role": "assistant"
}
] |
593 | {
"selfies": "[N][C][=Branch1][P][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][N][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]",
"smiles": "NC(=NN=Cc1ccccc1[N+](=O)[O-])C(N)=NN=Cc1ccccc1[N+](=O)[O-]"
} | 1-N',2-N'-bis[(2-nitrophenyl)methylideneamino]ethanediimidamide | [
{
"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-N',2-N'-bis[(2-nitrophenyl)methylideneamino]ethanediimidamide",
"role": "assistant"
}
] |
594 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][Br][C][=C][Ring1][N]",
"smiles": "COc1ccc(OC(=O)CCBr)cc1"
} | (4-methoxyphenyl) 3-bromopropanoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(4-methoxyphenyl) 3-bromopropanoate",
"role": "assistant"
}
] |
595 | {
"selfies": "[C][N][C][=C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1]",
"smiles": "Cn1cc(Cc2ccccc2C(=O)O)c2ccccc21"
} | 2-[(1-methylindol-3-yl)methyl]benzoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "2-[(1-methylindol-3-yl)methyl]benzoic acid",
"role": "assistant"
}
] |
596 | {
"selfies": "[C][C][C][N][C][=N][C][=C][Branch1][N][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][=C][Ring1][S][Ring2][Ring1][Ring1]",
"smiles": "CCCn1cnc2c(SCCc3ccccc3)nc(N)nc21"
} | 6-(2-phenylethylsulfanyl)-9-propylpurin-2-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "6-(2-phenylethylsulfanyl)-9-propylpurin-2-amine",
"role": "assistant"
}
] |
597 | {
"selfies": "[C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2]",
"smiles": "c1ccc(-c2nc3sc(-c4ccccc4)nc3s2)cc1"
} | 2,5-diphenyl-[1,3]thiazolo[5,4-d][1,3]thiazole | [
{
"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": "2,5-diphenyl-[1,3]thiazolo[5,4-d][1,3]thiazole",
"role": "assistant"
}
] |
598 | {
"selfies": "[O][C][=C][Branch1][N][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][N][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][#Branch2][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "Oc1c(CNCc2ccccc2)c(O)c(CNCc2ccccc2)c(O)c1CNCc1ccccc1"
} | 2,4,6-tris[(benzylamino)methyl]benzene-1,3,5-triol | [
{
"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": "2,4,6-tris[(benzylamino)methyl]benzene-1,3,5-triol",
"role": "assistant"
}
] |
599 | {
"selfies": "[C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][N][Ring1][=Branch1]",
"smiles": "c1cc2n(n1)CCN2"
} | 2,3-dihydro-1H-imidazo[1,2-b]pyrazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2,3-dihydro-1H-imidazo[1,2-b]pyrazole",
"role": "assistant"
}
] |
600 | {
"selfies": "[N][C][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NC1C(=O)C2CCCCC2C(=O)C1C(=O)c1ccccc1"
} | 2-amino-3-benzoyl-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione | [
{
"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-amino-3-benzoyl-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione",
"role": "assistant"
}
] |
601 | {
"selfies": "[N][#C][C][C][Branch1][Ring1][C][#N][C][C][C][Ring1][#Branch1][C][N][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][Ring1][O]",
"smiles": "N#CC1C(C#N)C2CC1C1N=NN(c3ccccc3)C21"
} | 5-phenyl-3,4,5-triazatricyclo[5.2.1.02,6]dec-3-ene-8,9-dicarbonitrile | [
{
"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": "5-phenyl-3,4,5-triazatricyclo[5.2.1.02,6]dec-3-ene-8,9-dicarbonitrile",
"role": "assistant"
}
] |
602 | {
"selfies": "[O][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"smiles": "O=NN(c1ccccc1)c1ccccn1"
} | N-phenyl-N-pyridin-2-ylnitrous amide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "N-phenyl-N-pyridin-2-ylnitrous amide",
"role": "assistant"
}
] |
603 | {
"selfies": "[O][=N][N][Branch1][=C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][=O][C][C][=Branch1][C][=O][O]",
"smiles": "O=NN(CCN(CC(=O)O)N=O)CC(=O)O"
} | 2-[2-[carboxymethyl(nitroso)amino]ethyl-nitrosoamino]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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[2-[carboxymethyl(nitroso)amino]ethyl-nitrosoamino]acetic acid",
"role": "assistant"
}
] |
604 | {
"selfies": "[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][Br][C][Br]",
"smiles": "CC(c1ccccc1)C(CBr)CBr"
} | [4-bromo-3-(bromomethyl)butan-2-yl]benzene | [
{
"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-bromo-3-(bromomethyl)butan-2-yl]benzene",
"role": "assistant"
}
] |
605 | {
"selfies": "[C][C][Branch1][C][Cl][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(Cl)(C(=O)c1ccccc1)C(Cl)c1ccccc1"
} | 2,3-dichloro-2-methyl-1,3-diphenylpropan-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-dichloro-2-methyl-1,3-diphenylpropan-1-one",
"role": "assistant"
}
] |
606 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=N][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCOC(=O)C1C(=O)C(=O)N(C2CCCCC2)C1C(=O)OCC"
} | diethyl 1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxylate | [
{
"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": "diethyl 1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxylate",
"role": "assistant"
}
] |
607 | {
"selfies": "[Cl][C][=C][C][=C][Branch2][Ring1][#Branch2][Sb][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1]",
"smiles": "Clc1ccc([Sb](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1"
} | tris(4-chlorophenyl)stibane | [
{
"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": "tris(4-chlorophenyl)stibane",
"role": "assistant"
}
] |
608 | {
"selfies": "[N][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"smiles": "N#CSCC(=O)c1ccc(Br)cc1"
} | [2-(4-bromophenyl)-2-oxoethyl] thiocyanate | [
{
"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-bromophenyl)-2-oxoethyl] thiocyanate",
"role": "assistant"
}
] |