id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
361 | {
"selfies": "[C][=C][C][Branch1][=Branch2][Hg][C][C][=C][S][C][=Ring1][Branch1][=C][S][Ring1][O]",
"smiles": "c1cc([Hg]c2ccsc2)cs1"
} | di(thiophen-3-yl)mercury | [
{
"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": "di(thiophen-3-yl)mercury",
"role": "assistant"
}
] |
362 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]",
"smiles": "O=[N+]([O-])c1ccc(P(C2CCCCC2)C2CCCCC2)cc1"
} | dicyclohexyl-(4-nitrophenyl)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": "dicyclohexyl-(4-nitrophenyl)phosphane",
"role": "assistant"
}
] |
363 | {
"selfies": "[C][N][N][C][Ring1][Ring1][Branch1][C][C][C]",
"smiles": "CN1NC1(C)C"
} | 1,3,3-trimethyldiaziridine | [
{
"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": "1,3,3-trimethyldiaziridine",
"role": "assistant"
}
] |
364 | {
"selfies": "[C][C][Branch1][C][C][S][S][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "CC(C)SSC(C)(C)C"
} | 2-methyl-2-(propan-2-yldisulfanyl)propane | [
{
"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-methyl-2-(propan-2-yldisulfanyl)propane",
"role": "assistant"
}
] |
365 | {
"selfies": "[C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][N][Ring1][=Branch2][C]",
"smiles": "Cc1c2ccccc2nn1C"
} | 2,3-dimethylindazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2,3-dimethylindazole",
"role": "assistant"
}
] |
366 | {
"selfies": "[N][#C][C][=N][O][C][Branch1][=N][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][C][#N][=N][Ring1][=N]",
"smiles": "N#Cc1noc(-c2no[n+]([O-])c2C#N)n1"
} | 4-(3-cyano-1,2,4-oxadiazol-5-yl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile | [
{
"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-(3-cyano-1,2,4-oxadiazol-5-yl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile",
"role": "assistant"
}
] |
367 | {
"selfies": "[C][C][=C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][Se][Ring1][Branch2]",
"smiles": "CC1=CC(C)(C)C(=O)[Se]1"
} | 3,3,5-trimethylselenophen-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": "3,3,5-trimethylselenophen-2-one",
"role": "assistant"
}
] |
368 | {
"selfies": "[C][B][N][B][Branch1][C][C][S][S][Ring1][=Branch1]",
"smiles": "CB1NB(C)SS1"
} | 3,5-dimethyl-1,2,4,3,5-dithiazadiborolidine | [
{
"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": "3,5-dimethyl-1,2,4,3,5-dithiazadiborolidine",
"role": "assistant"
}
] |
369 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][S][O][Ring1][=Branch1]",
"smiles": "Cc1ccc(S)o1"
} | 5-methylfuran-2-thiol | [
{
"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": "5-methylfuran-2-thiol",
"role": "assistant"
}
] |
370 | {
"selfies": "[C][N][Branch1][N][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][C][C][O][Si][Branch1][C][C][Branch1][C][C][C]",
"smiles": "CN(CCO[Si](C)(C)C)CCO[Si](C)(C)C"
} | N-methyl-2-trimethylsilyloxy-N-(2-trimethylsilyloxyethyl)ethanamine | [
{
"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": "N-methyl-2-trimethylsilyloxy-N-(2-trimethylsilyloxyethyl)ethanamine",
"role": "assistant"
}
] |
371 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2]",
"smiles": "CC(C)CC1CCCC2CCCCC21"
} | 1-(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene | [
{
"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-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene",
"role": "assistant"
}
] |
372 | {
"selfies": "[C][=C][C][C][=C][C][Ring1][=Branch1][C][C][C][C][Ring1][Branch2][Ring1][Ring2][C][C][Ring1][=Branch1]",
"smiles": "C1=CC2C=CC1C13CCC21CC3"
} | tetracyclo[4.2.2.22,5.01,6]dodeca-3,11-diene | [
{
"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": "tetracyclo[4.2.2.22,5.01,6]dodeca-3,11-diene",
"role": "assistant"
}
] |
373 | {
"selfies": "[C][C][N][Branch1][#Branch1][C][N][C][C][Ring1][Ring1][C][N][C][C][Ring1][Ring1]",
"smiles": "CCN(CN1CC1)CN1CC1"
} | N,N-bis(aziridin-1-ylmethyl)ethanamine | [
{
"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,N-bis(aziridin-1-ylmethyl)ethanamine",
"role": "assistant"
}
] |
374 | {
"selfies": "[N][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][Ring1][=N]",
"smiles": "Nc1nc(N)nc(-c2cnccn2)n1"
} | 6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine",
"role": "assistant"
}
] |
375 | {
"selfies": "[C][O][C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][S][Ring1][Branch1]",
"smiles": "COC1Nc2cccc(C)c2C(=O)N2CCCC12"
} | 6-methoxy-1-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "6-methoxy-1-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",
"role": "assistant"
}
] |
376 | {
"selfies": "[C][C][N][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][C][=Branch1][P][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][N][Branch1][C][C][C][Ring2][Ring1][O][=O]",
"smiles": "CCn1c(-c2ccc(OC)c(OC)c2)cc(=Nc2c(C)cc(C)cc2C)n(C)c1=O"
} | 6-(3,4-dimethoxyphenyl)-1-ethyl-3-methyl-4-(2,4,6-trimethylphenyl)iminopyrimidin-2-one | [
{
"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": "6-(3,4-dimethoxyphenyl)-1-ethyl-3-methyl-4-(2,4,6-trimethylphenyl)iminopyrimidin-2-one",
"role": "assistant"
}
] |
378 | {
"selfies": "[O][=C][Branch2][Ring2][Ring1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccccc1"
} | N-[4-(acridin-9-ylamino)phenyl]benzamide | [
{
"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-[4-(acridin-9-ylamino)phenyl]benzamide",
"role": "assistant"
}
] |
379 | {
"selfies": "[N][C][=C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch2][Ring2][Branch2][N][=N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][=N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][O][C][C][O][=C][Branch1][C][O][C][Ring2][Ring2][=Branch1][=C][Ring2][Ring2][#Branch2]",
"smiles": "Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(N=Nc4ccc(N(CCO)CCO)cc4)cc3OCCO)c(O)c2c1"
} | 6-amino-3-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-2-(2-hydroxyethoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "6-amino-3-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-2-(2-hydroxyethoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid",
"role": "assistant"
}
] |
380 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][O][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][S]",
"smiles": "CC(C)(C)OC(=O)N1CC(COS(C)(=O)=O)c2ccc(O)cc21"
} | tert-butyl (3R)-6-hydroxy-3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "tert-butyl (3R)-6-hydroxy-3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate",
"role": "assistant"
}
] |
381 | {
"selfies": "[C][C][O][P][=Branch1][C][=S][Branch1][C][Cl][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCOP(=S)(Cl)Oc1ccccc1"
} | chloro-ethoxy-phenoxy-sulfanylidene-lambda5-phosphane | [
{
"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": "chloro-ethoxy-phenoxy-sulfanylidene-lambda5-phosphane",
"role": "assistant"
}
] |
382 | {
"selfies": "[C][C][=C][N+1][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][N][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=C][C][=N+1][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1]",
"smiles": "Cc1c[n+](C)c2ccccc2c1Nc1ccc(C(=O)Nc2ccc(Nc3cc[n+](C)cc3)cc2)cc1"
} | 4-[(1,3-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide | [
{
"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-[(1,3-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide",
"role": "assistant"
}
] |
383 | {
"selfies": "[C][C][=C][C][=C][C][Branch1][C][N][=C][C][=C][C][Ring1][#Branch1][=N][Ring1][O]",
"smiles": "Cc1ccc2c(N)cccc2n1"
} | 2-methylquinolin-5-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": "2-methylquinolin-5-amine",
"role": "assistant"
}
] |
384 | {
"selfies": "[C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=Branch2][O]",
"smiles": "CC1(O)C(=O)NC(=O)NC1O"
} | (5S,6R)-5,6-dihydroxy-5-methyl-1,3-diazinane-2,4-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "(5S,6R)-5,6-dihydroxy-5-methyl-1,3-diazinane-2,4-dione",
"role": "assistant"
}
] |
387 | {
"selfies": "[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][C][=C][C][=Branch1][#Branch2][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][Ring1][#C][C][C][C][C][Ring1][=Branch2]",
"smiles": "c1ccc2c(c1)ccc1nc3ccc4c(c3cc12)CCCC4"
} | 13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17(22)-nonaene | [
{
"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": "13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17(22)-nonaene",
"role": "assistant"
}
] |
388 | {
"selfies": "[O][C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring2][Ring1][C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring1][=N][=C][Ring1][P][Ring2][Ring1][Branch1]",
"smiles": "OCc1c2cccc3ccc4cc5cccc6ccc1c(c65)c4c32"
} | 12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenylmethanol | [
{
"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": "12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenylmethanol",
"role": "assistant"
}
] |
389 | {
"selfies": "[O][C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=N][C][Ring1][=Branch1][=C][Ring1][=C][Ring1][#Branch2]",
"smiles": "OC1c2cccc3ccc4cccc1c4c23"
} | tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-ol | [
{
"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": "tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-ol",
"role": "assistant"
}
] |
390 | {
"selfies": "[C][C][C][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][=Branch1][N][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"smiles": "CCCCNC(c1ccc(O)cc1)C(NCCCC)c1ccc(O)cc1"
} | 4-[(1R,2S)-1,2-bis(butylamino)-2-(4-hydroxyphenyl)ethyl]phenol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "4-[(1R,2S)-1,2-bis(butylamino)-2-(4-hydroxyphenyl)ethyl]phenol",
"role": "assistant"
}
] |
391 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][O][C][Ring1][Ring1][C][C][Branch1][C][C][C][Branch1][#C][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][Ring1][S]",
"smiles": "COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC24CCC(=O)O4)C13"
} | methyl (1R,2S,9R,11S,14R,15S)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "methyl (1R,2S,9R,11S,14R,15S)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate",
"role": "assistant"
}
] |
392 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]",
"smiles": "CCOC(=O)C1COc2ccccc2O1"
} | ethyl 2,3-dihydro-1,4-benzodioxine-3-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": "ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate",
"role": "assistant"
}
] |
393 | {
"selfies": "[C][C][=N][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O][C][Ring1][Branch2]",
"smiles": "Cc1ncc2c(c1O)C(=O)OC2"
} | 7-hydroxy-6-methyl-3H-furo[3,4-c]pyridin-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": "7-hydroxy-6-methyl-3H-furo[3,4-c]pyridin-1-one",
"role": "assistant"
}
] |
395 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][O][O][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][=N][O][C][=C][Ring2][Ring1][Branch2][O]",
"smiles": "COc1ccc(CCC(=O)c2c(O)cc(OCS(=O)(=O)O)cc2O)cc1O"
} | [3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]methanesulfonic 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": "[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]methanesulfonic acid",
"role": "assistant"
}
] |
396 | {
"selfies": "[C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][S][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][O][Ring2][Ring1][=Branch1]",
"smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)C)O2"
} | 2-(4,8-dimethylnonyl)-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "2-(4,8-dimethylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol",
"role": "assistant"
}
] |
397 | {
"selfies": "[O][C][=C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][Ring1][=N][=C][Ring1][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]",
"smiles": "Oc1cc2ccc3ccc4c5c(cc(c1)c2c35)-c1ccccc1-4"
} | hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14,16,18-undecaen-16-ol | [
{
"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": "hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14,16,18-undecaen-16-ol",
"role": "assistant"
}
] |
398 | {
"selfies": "[O][=C][Branch2][#Branch1][#Branch2][O][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][N][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "O=C(OC1(C(=O)C(F)(F)F)C(O)C(O)C(O)C(OC(=O)C(F)(F)F)(C(=O)C(F)(F)F)C1(OC(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F"
} | [4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-2,3-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexyl] 2,2,2-trifluoroacetate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "[4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-2,3-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexyl] 2,2,2-trifluoroacetate",
"role": "assistant"
}
] |
399 | {
"selfies": "[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(O)CNC(=O)CCc1ccccc1"
} | 2-(3-phenylpropanoylamino)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-(3-phenylpropanoylamino)acetic acid",
"role": "assistant"
}
] |
401 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][C][N][C][=C][C][Ring1][#Branch1][=C][C][=C][C][Branch1][C][N][=C][C][Ring1][#Branch1][=N+1][Ring1][S][C][C]",
"smiles": "CCCCCCCCCCCCCCCc1c2cc(N)ccc2c2ccc(N)cc2[n+]1CC"
} | 5-ethyl-6-pentadecylphenanthridin-5-ium-3,8-diamine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "5-ethyl-6-pentadecylphenanthridin-5-ium-3,8-diamine",
"role": "assistant"
}
] |
402 | {
"selfies": "[C][O][N][=C][Branch1][C][C][C][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][Ring2][Ring1][Ring1][Ring1][S][C]",
"smiles": "CON=C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C"
} | (8S,9S,10R,13S,14S,17S)-17-(N-methoxy-C-methylcarbonimidoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-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": "(8S,9S,10R,13S,14S,17S)-17-(N-methoxy-C-methylcarbonimidoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",
"role": "assistant"
}
] |
403 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][S][O][C][C][C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][C][C][O][Ring2][Ring1][#Branch1]",
"smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)C(C)O1"
} | 7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-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": "7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",
"role": "assistant"
}
] |
404 | {
"selfies": "[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][C][=Branch2][Ring1][#Branch2][=C][Ring1][=Branch1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][C][C][N+1][=Ring2][Ring1][Branch1][C][C][C][Ring2][Ring1][=Branch2]",
"smiles": "O=C(O)c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3"
} | 2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid",
"role": "assistant"
}
] |
406 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][C][C][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=[N+]([O-])c1ccc2c(c1)nc(C=NOCc1ccccc1[N+](=O)[O-])n2Cc1ccccc1"
} | 1-(1-benzyl-5-nitrobenzimidazol-2-yl)-N-[(2-nitrophenyl)methoxy]methanimine | [
{
"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-(1-benzyl-5-nitrobenzimidazol-2-yl)-N-[(2-nitrophenyl)methoxy]methanimine",
"role": "assistant"
}
] |
407 | {
"selfies": "[C][N][Branch1][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"smiles": "CN(C)CCNS(=O)(=O)c1cccc2cccnc12"
} | N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide | [
{
"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": "N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide",
"role": "assistant"
}
] |
408 | {
"selfies": "[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]",
"smiles": "Fc1cccc2c1ccc1ncccc12"
} | 7-fluorobenzo[f]quinoline | [
{
"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": "7-fluorobenzo[f]quinoline",
"role": "assistant"
}
] |
409 | {
"selfies": "[C][C][Branch1][C][C][C][C][O][C][=C][C][=Branch1][C][=O][C][=Ring1][#Branch1][O]",
"smiles": "CC(C)Cc1occc(=O)c1O"
} | 3-hydroxy-2-(2-methylpropyl)pyran-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "3-hydroxy-2-(2-methylpropyl)pyran-4-one",
"role": "assistant"
}
] |
410 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][=N][O][P][=Branch1][C][=O][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][Cl][Cl][C][=C][Ring2][Ring1][=Branch1]",
"smiles": "COc1ccc(OP(=O)(Oc2ccc(OC)cc2)C(C)(Cl)Cl)cc1"
} | 1-[1,1-dichloroethyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene | [
{
"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-[1,1-dichloroethyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene",
"role": "assistant"
}
] |
412 | {
"selfies": "[C][O][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][C][Branch2][O][P][O][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][C][Branch2][#Branch2][N][O][C][C][O][C][Branch2][Branch1][=N][O][C][C][C][C][Branch1][C][C][C][=C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][Ring1][=N][C][C][C][Ring1][S][Branch1][C][C][C][Ring2][Ring1][Branch1][C][C][C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][Branch1][C][C][C][C][Branch2][Branch1][#C][O][C][O][C][Branch1][C][C][C][Branch2][Ring2][O][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch2][Ring1][=Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][Ring1][O][C][C][Ring1][O][O][C][Ring2][Ring1][=Branch1][O][C][Branch1][C][O][C][Ring2][Ring1][S][O][C][Ring2][=Branch1][=Branch2][O][C][Ring2][#Branch1][Ring2][O][C][Ring2][#Branch1][#C][O]",
"smiles": "COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C6=CCC78C(=O)OC(C)(CCCC(C)C)C7CCC8(C)C6CCC5C4(C)C)C(OC4OC(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1O"
} | 16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one",
"role": "assistant"
}
] |
413 | {
"selfies": "[C][S][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][Cl][=N][Ring1][#Branch2]",
"smiles": "CSC1=NS(=O)(=O)N(C)C(Cl)=N1"
} | 3-chloro-2-methyl-5-methylsulfanyl-1,2,4,6-thiatriazine 1,1-dioxide | [
{
"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-chloro-2-methyl-5-methylsulfanyl-1,2,4,6-thiatriazine 1,1-dioxide",
"role": "assistant"
}
] |
415 | {
"selfies": "[C][C][C][C][C][C][Branch1][#C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][C][O][Ring1][=Branch2][O][C][Ring1][=C]",
"smiles": "CCC1CCC2(CC(O)C(CO)CO2)OC1"
} | (3R,4S,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(3R,4S,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol",
"role": "assistant"
}
] |
418 | {
"selfies": "[C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][Branch2][Ring2][Branch2][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][P][N][Branch1][C][C][C][C][Ring2][Ring2][=Branch1][C][C][N][Ring2][Ring1][O][C]",
"smiles": "COc1cc2c3c(O)c1OCc1ccc(cc1)CC1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)CC3N(C)CC2)CCN1C"
} | 9,10,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.027,31.016,35]heptatriaconta-3(37),4,6(36),8(35),9,11,18,20,24,26,31,33-dodecaen-32-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": "9,10,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.027,31.016,35]heptatriaconta-3(37),4,6(36),8(35),9,11,18,20,24,26,31,33-dodecaen-32-ol",
"role": "assistant"
}
] |
419 | {
"selfies": "[C][C][Branch1][C][C][S][S][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Ring2][Ring2][=Branch2][C][=Branch1][C][=O][O]",
"smiles": "CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)NC1C(=O)O"
} | (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic 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": "(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid",
"role": "assistant"
}
] |
421 | {
"selfies": "[N][C][C][C][N][C][C][C][C][N][C][C][Ring1][Ring1]",
"smiles": "NCCCNCCCCN1CC1"
} | N'-[4-(aziridin-1-yl)butyl]propane-1,3-diamine | [
{
"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'-[4-(aziridin-1-yl)butyl]propane-1,3-diamine",
"role": "assistant"
}
] |
424 | {
"selfies": "[Br][C][Branch1][C][Br][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "BrC(Br)=Cc1ccccc1"
} | 2,2-dibromoethenylbenzene | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "2,2-dibromoethenylbenzene",
"role": "assistant"
}
] |
425 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][#C][O][C][C][C][Branch1][C][N][C][Branch2][Ring1][Branch1][O][C][Branch1][#Branch1][C][C][Branch1][C][C][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][O][Ring2][Ring1][Ring2]",
"smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(OC(CC(C)O)OC(C)C(=O)O)C(C)O1"
} | 2-[1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid",
"role": "assistant"
}
] |
427 | {
"selfies": "[C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][Branch1][C][C][C][Branch1][N][C][C][C][Ring1][=Branch1][C][C][C][O][Ring1][Branch1][C][Ring2][Ring1][#Branch1][Ring2][Ring1][S]",
"smiles": "CC1CC2=CC(=O)CCC2=C2C(c3ccc(N(C)C)cc3)CC3(C)C(CCC34CCCO4)C21"
} | (7S,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-7,13-dimethylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "(7S,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-7,13-dimethylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one",
"role": "assistant"
}
] |
430 | {
"selfies": "[C][=C][N][=C][C][Branch1][O][N][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=C]",
"smiles": "c1cncc(N=Nc2cccnc2)c1"
} | dipyridin-3-yldiazene | [
{
"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": "dipyridin-3-yldiazene",
"role": "assistant"
}
] |
431 | {
"selfies": "[C][C][C][C][Branch1][C][C][N][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][O]",
"smiles": "CCCC(C)NC(CS)C(=O)O"
} | (2R)-2-(pentan-2-ylamino)-3-sulfanylpropanoic acid | [
{
"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": "(2R)-2-(pentan-2-ylamino)-3-sulfanylpropanoic acid",
"role": "assistant"
}
] |
432 | {
"selfies": "[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][P][C][=Branch2][Ring1][#Branch2][=C][C][=C][C][=Branch1][=Branch1][=N+1][Branch1][C][C][C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][=N][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring2][#Branch1]",
"smiles": "CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C(S(=O)(=O)O)=C2)c2ccc(N(C)Cc3cccc(S(=O)(=O)O)c3)cc2)cc1"
} | [4-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]-2-sulfocyclohexa-2,5-dien-1-ylidene]-dimethylazanium | [
{
"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-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]-2-sulfocyclohexa-2,5-dien-1-ylidene]-dimethylazanium",
"role": "assistant"
}
] |
435 | {
"selfies": "[C][=C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring2][#C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][O][C][=C][C][=C][Ring2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][O]",
"smiles": "C=CC(=O)NCc1c(Oc2ccc(Nc3ccc(NC(C)C)c4c3C(=O)c3ccccc3C4=O)cc2)cccc1S(=O)(=O)O"
} | 3-[4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "3-[4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid",
"role": "assistant"
}
] |
436 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O]",
"smiles": "CCCCCCCCCCOCCOCCOCCOCCOCCO"
} | 2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]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-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol",
"role": "assistant"
}
] |
437 | {
"selfies": "[C][C][Branch1][Ring1][C][=O][C][C][C][C][O][C][Branch2][=Branch2][=Branch1][C][C][C][C][Branch1][C][C][C][C][C][Branch2][=Branch1][Branch2][O][C][O][C][C][Branch2][Ring2][Ring2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Branch1][C][O][C][Ring2][Ring1][N][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Branch1][C][C][C][C][Ring2][Branch1][=Branch1][Branch1][C][C][C][Ring2][Branch1][O][Branch1][C][C][C][C][Ring2][Branch1][P][O][C][Ring2][=Branch1][Ring1][C][Ring2][=Branch1][=Branch2]",
"smiles": "CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1"
} | (1S,2R,4S,5R,8R,13R,14R,17S,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde | [
{
"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": "(1S,2R,4S,5R,8R,13R,14R,17S,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde",
"role": "assistant"
}
] |
440 | {
"selfies": "[C][O][C][C][N][P][=Branch1][C][=O][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]",
"smiles": "COCCNP(=O)(N(C)C)N(C)C"
} | N-[bis(dimethylamino)phosphoryl]-2-methoxyethanamine | [
{
"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-[bis(dimethylamino)phosphoryl]-2-methoxyethanamine",
"role": "assistant"
}
] |
441 | {
"selfies": "[Pu]",
"smiles": "[Pu]"
} | plutonium-234 | [
{
"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": "plutonium-234",
"role": "assistant"
}
] |
442 | {
"selfies": "[C][C][Branch1][C][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1]",
"smiles": "CC(C)(c1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1)c1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1"
} | 4-[4-[2-[4-(3,4-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic 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": "4-[4-[2-[4-(3,4-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid",
"role": "assistant"
}
] |
447 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][C][=C][Branch2][Ring1][C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring1][C][C][N][Ring1][=C][C]",
"smiles": "COc1cc2c(cc1OC)C(O)C1c3c(cc(OC)c(OC)c3-2)CCN1C"
} | 1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-ol",
"role": "assistant"
}
] |
451 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][Branch1][O][C][Ring1][=N][O][C][Ring1][#C]",
"smiles": "CC(C)(C)C12COC(c3ccc(F)cc3)(OC1)OC2"
} | 4-tert-butyl-1-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane | [
{
"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-1-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane",
"role": "assistant"
}
] |
452 | {
"selfies": "[C][C][C][C][C][O][C][Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][Branch1][Branch1][O][C][Ring1][=N][O][C][Ring1][#C]",
"smiles": "CCCC12COC(C3CC4CCC3C4)(OC1)OC2"
} | 1-(2-bicyclo[2.2.1]heptanyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane | [
{
"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-(2-bicyclo[2.2.1]heptanyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane",
"role": "assistant"
}
] |
455 | {
"selfies": "[C][C][C][=C][N+1][=Branch1][C][=O][O-1]",
"smiles": "CCC=C[N+](=O)[O-]"
} | 1-nitrobut-1-ene | [
{
"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-nitrobut-1-ene",
"role": "assistant"
}
] |
456 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring2][O][C]",
"smiles": "CC(C)CC1C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N1C"
} | 4,10,16-trimethyl-3,9,15-tris(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone | [
{
"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": "4,10,16-trimethyl-3,9,15-tris(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone",
"role": "assistant"
}
] |
457 | {
"selfies": "[C][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O]",
"smiles": "CC(C)C1=CC(=O)c2ccccc2C1=O"
} | 2-propan-2-ylnaphthalene-1,4-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": "2-propan-2-ylnaphthalene-1,4-dione",
"role": "assistant"
}
] |
458 | {
"selfies": "[C][C][=C][Branch2][Ring1][#C][C][C][C][C][Branch1][C][C][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch2][Ring1][#C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][S][=O]",
"smiles": "CC1=C(CCC2C(C)CCC3OC(C)(C)C(=O)CCC32C)C2(C)CCC(O)C(C)(C)C2CC1=O"
} | (5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-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": "(5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one",
"role": "assistant"
}
] |
459 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "CCCCCCCCCCCCCCCC(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1"
} | [(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] hexadecanoate | [
{
"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)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] hexadecanoate",
"role": "assistant"
}
] |
460 | {
"selfies": "[C][C][=C][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][Branch1][C][C][=C][C][=C][Ring1][Branch2][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C]",
"smiles": "Cc1cnc2c(n1)c(C)cc1c2nc(NCc2ccccc2)n1C"
} | N-benzyl-3,5,7-trimethylimidazo[4,5-f]quinoxalin-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-benzyl-3,5,7-trimethylimidazo[4,5-f]quinoxalin-2-amine",
"role": "assistant"
}
] |
461 | {
"selfies": "[C][O][P][=Branch1][C][=S][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "COP(=S)(N1CCOCC1)N1CCOCC1"
} | methoxy-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane | [
{
"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": "methoxy-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane",
"role": "assistant"
}
] |
462 | {
"selfies": "[O][=C][C][C][C][C][C][C][Ring1][=Branch1][N][N][Ring1][=Branch2][C][=C][C][Branch1][C][O][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]",
"smiles": "O=C1C2CCCCC2NN1c1cc(O)c(Cl)cc1Cl"
} | 2-(2,4-dichloro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-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": "2-(2,4-dichloro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one",
"role": "assistant"
}
] |
463 | {
"selfies": "[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch2][N][C][C][C][C][=Branch1][C][=O][O][=N][Ring1][=C]",
"smiles": "CCNc1nc(Cl)nc(NCCCC(=O)O)n1"
} | 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]butanoic 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-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]butanoic acid",
"role": "assistant"
}
] |
464 | {
"selfies": "[C][=C][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][Ring1][O][C][=C][Ring1][=N]",
"smiles": "C=CCc1ccc(OS(=O)(=O)O)c(OC)c1"
} | (2-methoxy-4-prop-2-enylphenyl) hydrogen sulfate | [
{
"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-methoxy-4-prop-2-enylphenyl) hydrogen sulfate",
"role": "assistant"
}
] |
465 | {
"selfies": "[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "FC(F)(F)c1cccc(C(F)(F)F)c1C(F)(F)F"
} | 1,2,3-tris(trifluoromethyl)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": "1,2,3-tris(trifluoromethyl)benzene",
"role": "assistant"
}
] |
466 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][Ring1][C][=O][C][C][Ring1][=C]",
"smiles": "CCOC(=O)C1(c2ccccc2)CCN(C=O)CC1"
} | ethyl 1-formyl-4-phenylpiperidine-4-carboxylate | [
{
"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": "ethyl 1-formyl-4-phenylpiperidine-4-carboxylate",
"role": "assistant"
}
] |
468 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1]",
"smiles": "CCN(CC)C(=O)c1ccc(Nc2ccnc3cc4ccccc4cc23)cc1"
} | 4-(benzo[g]quinolin-4-ylamino)-N,N-diethylbenzamide | [
{
"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-(benzo[g]quinolin-4-ylamino)-N,N-diethylbenzamide",
"role": "assistant"
}
] |
469 | {
"selfies": "[C][C][C][C][C][C][C][C][Branch1][C][C][S][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "CCCCCCCC(C)SCC(=O)C(F)(F)F"
} | 1,1,1-trifluoro-3-nonan-2-ylsulfanylpropan-2-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": "1,1,1-trifluoro-3-nonan-2-ylsulfanylpropan-2-one",
"role": "assistant"
}
] |
470 | {
"selfies": "[C][O][C][=C][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][Cl][=C][Branch1][C][Cl][N][=N][Ring1][N]",
"smiles": "COc1cc(C(C)(C)CCl)c(Cl)nn1"
} | 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-6-methoxypyridazine | [
{
"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-chloro-4-(1-chloro-2-methylpropan-2-yl)-6-methoxypyridazine",
"role": "assistant"
}
] |
471 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][O][C][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=N]",
"smiles": "COc1cc2c(cc1C(C)O)C=CC(C)(C)O2"
} | 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol",
"role": "assistant"
}
] |
472 | {
"selfies": "[C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch2][Ring1][#Branch2][C][O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]",
"smiles": "CCOc1ccc(C2(COCc3ccc(F)c(Oc4ccccc4)c3)CC2)cc1"
} | 4-[[1-(4-ethoxyphenyl)cyclopropyl]methoxymethyl]-1-fluoro-2-phenoxybenzene | [
{
"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-[[1-(4-ethoxyphenyl)cyclopropyl]methoxymethyl]-1-fluoro-2-phenoxybenzene",
"role": "assistant"
}
] |
473 | {
"selfies": "[C][=C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][C][C][Branch1][N][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2]",
"smiles": "C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(OC(=O)C(C)CC)C12"
} | [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylbutanoate | [
{
"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": "[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylbutanoate",
"role": "assistant"
}
] |
474 | {
"selfies": "[Br][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][=N]",
"smiles": "Brc1ccc(-c2ccccc2)c(Br)c1"
} | 2,4-dibromo-1-phenylbenzene | [
{
"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-dibromo-1-phenylbenzene",
"role": "assistant"
}
] |
476 | {
"selfies": "[F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][Ring1][=N]",
"smiles": "Fc1ccc2c(c1)Sc1cc(F)cc(Cl)c1O2"
} | 4-chloro-2,8-difluorophenoxathiine | [
{
"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-chloro-2,8-difluorophenoxathiine",
"role": "assistant"
}
] |
477 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Ring2][Ring1][O]",
"smiles": "CCCCCCCCCCCCCC(=O)Oc1cccc2c1C(=O)c1c(cccc1OC(=O)CCCCCCCCCCCCC)C2"
} | (9-oxo-8-tetradecanoyloxy-10H-anthracen-1-yl) tetradecanoate | [
{
"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": "(9-oxo-8-tetradecanoyloxy-10H-anthracen-1-yl) tetradecanoate",
"role": "assistant"
}
] |
478 | {
"selfies": "[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][O][C][Ring1][S][Ring1][Ring1]",
"smiles": "c1ccc2c(c1)-c1cc3ccccc3cc1C1OC21"
} | (4R)-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene | [
{
"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": "(4R)-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene",
"role": "assistant"
}
] |
479 | {
"selfies": "[C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]",
"smiles": "CCCCCCNC(=O)Oc1cccc2ccccc12"
} | naphthalen-1-yl N-hexylcarbamate | [
{
"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": "naphthalen-1-yl N-hexylcarbamate",
"role": "assistant"
}
] |
480 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)OCC"
} | ethyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate | [
{
"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": "ethyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate",
"role": "assistant"
}
] |
481 | {
"selfies": "[O][C][C][O][C][Branch2][Ring1][=Branch1][O][C][O][C][=C][C][C][C][O][C][Ring1][Ring1][Branch1][Ring1][C][O][C][Ring1][Branch2][Ring1][N][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O]",
"smiles": "OCC1OC(OC2OC=CC3CC4OC4(CO)C32)C(O)C(O)C1O"
} | 2-(hydroxymethyl)-6-[[2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol | [
{
"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-(hydroxymethyl)-6-[[2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol",
"role": "assistant"
}
] |
482 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring1][P]",
"smiles": "CC(C)(C)c1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1"
} | (4-tert-butylphenyl)-(3-nitrophenyl)methanone | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "(4-tert-butylphenyl)-(3-nitrophenyl)methanone",
"role": "assistant"
}
] |
483 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring1][#Branch2][=C][Ring1][=C][N+1][=Branch1][C][=O][O-1]",
"smiles": "O=[N+]([O-])c1ccc2nc3ccccc3cc2c1[N+](=O)[O-]"
} | 1,2-dinitroacridine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "1,2-dinitroacridine",
"role": "assistant"
}
] |
484 | {
"selfies": "[C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]",
"smiles": "CCc1ccc(C)c2c1[nH]c1ccccc12"
} | 1-ethyl-4-methyl-9H-carbazole | [
{
"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-ethyl-4-methyl-9H-carbazole",
"role": "assistant"
}
] |
485 | {
"selfies": "[C][C][C][S][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl]",
"smiles": "CCCSP(=O)(O)Oc1ccc(Br)cc1Cl"
} | (4-bromo-2-chlorophenoxy)-propylsulfanylphosphinic 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": "(4-bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid",
"role": "assistant"
}
] |
486 | {
"selfies": "[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][N][C][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O]",
"smiles": "CS(=O)(=O)CCCCNCCCCS(C)(=O)=O"
} | 4-methylsulfonyl-N-(4-methylsulfonylbutyl)butan-1-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "4-methylsulfonyl-N-(4-methylsulfonylbutyl)butan-1-amine",
"role": "assistant"
}
] |
487 | {
"selfies": "[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]",
"smiles": "O=C(Nc1ccc(Cl)cc1)OCCOc1ccc(CO)cc1"
} | 2-[4-(hydroxymethyl)phenoxy]ethyl N-(4-chlorophenyl)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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "2-[4-(hydroxymethyl)phenoxy]ethyl N-(4-chlorophenyl)carbamate",
"role": "assistant"
}
] |
488 | {
"selfies": "[C][C][C][C][C][C][=C][C][Branch2][Ring1][C][N][=N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][C][C][C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][C][C][Branch1][C][O][C][Ring2][Ring1][=C][O]",
"smiles": "CC12CCC3c4cc(N=Nc5ccc(C(=O)O)cc5)c(O)cc4CCC3C1CC(O)C2O"
} | 4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid | [
{
"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-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid",
"role": "assistant"
}
] |
490 | {
"selfies": "[O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][=N][O]",
"smiles": "OCC(O)C(O)C(O)C=NO"
} | (2R,3S,4R)-5-hydroxyiminopentane-1,2,3,4-tetrol | [
{
"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": "(2R,3S,4R)-5-hydroxyiminopentane-1,2,3,4-tetrol",
"role": "assistant"
}
] |
491 | {
"selfies": "[C][N][C][=N][C][C][Branch1][C][O][C][Branch2][Branch1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring1][O][O][C][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][O][N][C][Branch1][C][C][=O][C][Branch1][C][O][C][Ring2][Ring1][=Branch2][N][C][Branch1][C][C][=O][C][Branch1][Ring1][C][O][C][Ring2][Ring2][=Branch1][O][Ring2][Ring2][=Branch2]",
"smiles": "CNC1=NC2C(O)C(OC3OC(CO)C(OC4OC(COC)C(O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C(CO)C2O1"
} | N-[2-[5-acetamido-4-hydroxy-6-[[4-hydroxy-6-(hydroxymethyl)-2-(methylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "N-[2-[5-acetamido-4-hydroxy-6-[[4-hydroxy-6-(hydroxymethyl)-2-(methylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide",
"role": "assistant"
}
] |
492 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][Branch1][C][C][C][=Branch2][=Branch1][#Branch2][=C][C][C][C][Branch1][C][C][C][C][C][Branch2][Ring2][Branch2][O][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][P][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Branch1][C][O][C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#C][C][C][C][Ring2][Ring2][Ring1][Ring2][Ring2][Branch2][C][C][Ring2][Branch1][O][C][Ring2][Branch1][S]",
"smiles": "CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1"
} | (2S,3S,4R,5R,6S)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "(2S,3S,4R,5R,6S)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid",
"role": "assistant"
}
] |
Subsets and Splits