id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 2
23
| messages
listlengths 3
3
|
|---|---|---|---|
242 | {
"selfies": "[I][Sn][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "I[Sn](c1ccccc1)(c1ccccc1)c1ccccc1"
} | C18H15ISn | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "I'd like to know the molecular formula of <molecule_2d> . Can you tell me?",
"role": "user"
},
{
"content": "C18H15ISn",
"role": "assistant"
}
] |
243 | {
"selfies": "[S][=P][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][N][C][C][C][O][Ring1][=N]",
"smiles": "S=P1(N(CCCl)CCCl)NCCCO1"
} | C7H15Cl2N2OPS | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Given the representation <molecule_2d>, what would be its molecular formula?",
"role": "user"
},
{
"content": "C7H15Cl2N2OPS",
"role": "assistant"
}
] |
244 | {
"selfies": "[C][C][=C][N+1][Branch1][C][O-1][=C][C][Branch1][C][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]",
"smiles": "Cc1c[n+]([O-])cc(C)c1[N+](=O)[O-]"
} | C7H8N2O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the representation of a molecule. What is its molecular formula?",
"role": "user"
},
{
"content": "C7H8N2O3",
"role": "assistant"
}
] |
245 | {
"selfies": "[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][#C]",
"smiles": "Fc1ccccc1-c1nnc(-c2cccc3ccccc23)o1"
} | C18H11FN2O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the representation of a molecule. What is its molecular formula?",
"role": "user"
},
{
"content": "C18H11FN2O",
"role": "assistant"
}
] |
247 | {
"selfies": "[Cl][C][=C][C][=C][Branch1][=C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C]",
"smiles": "Clc1ccc(C#Cc2ccc(Cl)cc2)cc1"
} | C14H8Cl2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C14H8Cl2",
"role": "assistant"
}
] |
248 | {
"selfies": "[C][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][C][C][C][=N][C][C][O][Ring1][Branch1]",
"smiles": "CCCCCCCCC=CCCCCCCCC1=NCCO1"
} | C20H37NO | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the representation of a molecule <molecule_2d> into molecular formula.",
"role": "user"
},
{
"content": "C20H37NO",
"role": "assistant"
}
] |
249 | {
"selfies": "[C][C][Branch1][#Branch1][O][C][Branch1][C][N][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]",
"smiles": "CC(OC(N)=O)C(F)(F)C(F)F"
} | C5H7F4NO2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Given the representation <molecule_2d>, what would be its molecular formula?",
"role": "user"
},
{
"content": "C5H7F4NO2",
"role": "assistant"
}
] |
250 | {
"selfies": "[Cl][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "ClC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1"
} | C14H9Cl3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "I'd like to know the molecular formula of <molecule_2d> . Can you tell me?",
"role": "user"
},
{
"content": "C14H9Cl3",
"role": "assistant"
}
] |
251 | {
"selfies": "[C][=C][C][C][=C][C][Branch1][#Branch1][C][N][C][C][C][O][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][#C]",
"smiles": "C=CCc1cc(CNCCCO)c(O)c(OC)c1"
} | C14H21NO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the representation of a molecule <molecule_2d> into molecular formula.",
"role": "user"
},
{
"content": "C14H21NO3",
"role": "assistant"
}
] |
252 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C]",
"smiles": "CCN(CC)P(=O)(OC)OC"
} | C6H16NO3P | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C6H16NO3P",
"role": "assistant"
}
] |
253 | {
"selfies": "[O][=P][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][N][C][Branch1][C][O][C][C][O][Ring1][=C]",
"smiles": "O=P1(N(CCCl)CCCl)NC(O)CCO1"
} | C7H15Cl2N2O3P | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the representation of a molecule. What is its molecular formula?",
"role": "user"
},
{
"content": "C7H15Cl2N2O3P",
"role": "assistant"
}
] |
254 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccnc1"
} | C18H22N2O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Considering the code <molecule_2d>, can you determine the corresponding molecular formula?",
"role": "user"
},
{
"content": "C18H22N2O4",
"role": "assistant"
}
] |
255 | {
"selfies": "[O][=C][Branch1][C][O][C][Branch1][Ring1][N][O][C][C][C][C][C][Ring1][Branch2]",
"smiles": "O=C(O)C1(NO)CCCCC1"
} | C7H13NO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The representation <molecule_2d> represents a specific molecule. Can you reveal its molecular formula?",
"role": "user"
},
{
"content": "C7H13NO3",
"role": "assistant"
}
] |
256 | {
"selfies": "[N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]",
"smiles": "Nc1cccc(Cl)c1[N+](=O)[O-]"
} | C6H5ClN2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Given the representation <molecule_2d>, what would be its molecular formula?",
"role": "user"
},
{
"content": "C6H5ClN2O2",
"role": "assistant"
}
] |
257 | {
"selfies": "[O][=C][C][=C][Branch1][C][Br][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2]",
"smiles": "O=c1cc(Br)[nH]c(=O)[nH]1"
} | C4H3BrN2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Considering the code <molecule_2d>, can you determine the corresponding molecular formula?",
"role": "user"
},
{
"content": "C4H3BrN2O2",
"role": "assistant"
}
] |
259 | {
"selfies": "[C][C][=Branch1][C][=O][O][C][C][C][C][C][O][C][Branch2][Ring2][Ring2][C][C][C][C][C][C][Branch1][=N][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][Ring1][=N][Branch1][C][C][C][C][C][Ring2][Ring1][C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][Branch2][Branch1][C][Br][C][Ring2][Ring1][=N]",
"smiles": "CC(=O)OC1CCC23COC(CC4C5CCC(C(C)CCCC(C)C)C5(C)CCC42)C3(Br)C1"
} | C29H47BrO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C29H47BrO3",
"role": "assistant"
}
] |
260 | {
"selfies": "[C][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][=C][Ring1][O]",
"smiles": "CC(C)c1ccc(OCC2CO2)cc1"
} | C12H16O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the representation of a molecule. What is its molecular formula?",
"role": "user"
},
{
"content": "C12H16O2",
"role": "assistant"
}
] |
261 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][C][Ring1][=C][=O]",
"smiles": "CCOC(=O)C1CN(CC)c2nc(SC)ncc2C1=O"
} | C13H17N3O3S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C13H17N3O3S",
"role": "assistant"
}
] |
262 | {
"selfies": "[C][O][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][O][Ring1][#C]",
"smiles": "COC1(C)CCc2c(C)c(O)c(C)c(C)c2O1"
} | C14H20O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C14H20O3",
"role": "assistant"
}
] |
264 | {
"selfies": "[O][=C][Branch1][C][S][S][S][S][S][C][=Branch1][C][=O][S]",
"smiles": "O=C(S)SSSSC(=O)S"
} | C2H2O2S6 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C2H2O2S6",
"role": "assistant"
}
] |
265 | {
"selfies": "[N][#C][S][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]",
"smiles": "N#CSc1ccc(N)c([N+](=O)[O-])c1"
} | C7H5N3O2S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the representation of a molecule <molecule_2d> into molecular formula.",
"role": "user"
},
{
"content": "C7H5N3O2S",
"role": "assistant"
}
] |
266 | {
"selfies": "[S][=C][Branch1][C][S][C][C][C][C][N][Ring1][Branch1]",
"smiles": "S=C(S)C1CCCN1"
} | C5H9NS2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C5H9NS2",
"role": "assistant"
}
] |
267 | {
"selfies": "[Eu+3]",
"smiles": "[Eu+3]"
} | Eu+3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The representation <molecule_2d> represents a specific molecule. Can you reveal its molecular formula?",
"role": "user"
},
{
"content": "Eu+3",
"role": "assistant"
}
] |
268 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][=C][Ring2][Ring1][Branch1]",
"smiles": "Cc1ccc(C)c(Oc2cccc(C(=O)NC(C)(C)C)c2)c1"
} | C19H23NO2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the representation of a molecule <molecule_2d> into molecular formula.",
"role": "user"
},
{
"content": "C19H23NO2",
"role": "assistant"
}
] |
270 | {
"selfies": "[C][C][=C][C][Branch1][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][=Branch2]",
"smiles": "CC1=CC(C)CC(CO)C1"
} | C9H16O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C9H16O",
"role": "assistant"
}
] |
271 | {
"selfies": "[C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCCC(=O)C(C)CC(=O)OCC"
} | C10H18O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the formula of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C10H18O3",
"role": "assistant"
}
] |
272 | {
"selfies": "[N][#C][C][C][N][Branch1][Branch1][C][C][C][#N][C][C][Branch1][C][O][C][O]",
"smiles": "N#CCCN(CCC#N)CC(O)CO"
} | C9H15N3O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C9H15N3O2",
"role": "assistant"
}
] |
274 | {
"selfies": "[C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][B][Branch1][#C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C]",
"smiles": "COC(C)COC(C)COB(OCC(C)OCC(C)OC)OCC(C)OCC(C)OC"
} | C21H45BO9 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the representation of a molecule <molecule_2d> into molecular formula.",
"role": "user"
},
{
"content": "C21H45BO9",
"role": "assistant"
}
] |
276 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][Si][Branch1][C][C][Branch1][Ring2][O][C][C][O][C][C]",
"smiles": "CCCCCCCCCCCC[Si](C)(OCC)OCC"
} | C17H38O2Si | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Considering the code <molecule_2d>, can you determine the corresponding molecular formula?",
"role": "user"
},
{
"content": "C17H38O2Si",
"role": "assistant"
}
] |
277 | {
"selfies": "[C][O][C][Branch1][=C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][O][C]",
"smiles": "COC(CC(C)CCCC(C)C)OC"
} | C12H26O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C12H26O2",
"role": "assistant"
}
] |
278 | {
"selfies": "[C][C][Branch1][C][Br][C][C][C][C][Branch1][C][Cl][C][Branch1][C][Br][C][C][Branch1][C][Br][C][Cl]",
"smiles": "CC(Br)CCCC(Cl)C(Br)CC(Br)CCl"
} | C10H17Br3Cl2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Given the representation <molecule_2d>, what would be its molecular formula?",
"role": "user"
},
{
"content": "C10H17Br3Cl2",
"role": "assistant"
}
] |
279 | {
"selfies": "[O][=C][Branch2][Ring1][P][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][=N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][Ring2][N][=N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]",
"smiles": "O=C(Nc1ccc(N=Nc2c(O)ccc3ccccc23)cc1)c1ccc(N=Nc2c(O)ccc3ccccc23)cc1"
} | C33H23N5O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C33H23N5O3",
"role": "assistant"
}
] |
280 | {
"selfies": "[C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][C][C][Ring1][=Branch1][=O]",
"smiles": "CCCC(=O)OC1=C(C)CCC1=O"
} | C10H14O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the formula of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C10H14O3",
"role": "assistant"
}
] |
281 | {
"selfies": "[C][C][C][=Branch1][C][=O][O][C][C][N][Branch1][Branch1][C][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCC(=O)OCCN(CCC#N)c1ccccc1"
} | C14H18N2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "I'd like to know the molecular formula of <molecule_2d> . Can you tell me?",
"role": "user"
},
{
"content": "C14H18N2O2",
"role": "assistant"
}
] |
283 | {
"selfies": "[C][C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C]",
"smiles": "CCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC(C)C"
} | C24H48O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please provide the molecular formula for <molecule_2d> .",
"role": "user"
},
{
"content": "C24H48O4",
"role": "assistant"
}
] |
284 | {
"selfies": "[N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NC(CCc1ccccc1)c1ccccc1"
} | C15H17N | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the formula of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C15H17N",
"role": "assistant"
}
] |
285 | {
"selfies": "[C][C][C][C][C][N][Branch1][=N][C][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][=C]",
"smiles": "CC1CCCN(CN2CCCC(C)C2)C1"
} | C13H26N2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C13H26N2",
"role": "assistant"
}
] |
287 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=O]",
"smiles": "COC(=O)CN(C)C=O"
} | C5H9NO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C5H9NO3",
"role": "assistant"
}
] |
289 | {
"selfies": "[C][C][Branch1][Branch2][C][C][N][C][C][C][#N][C][C][Branch1][C][C][Branch1][C][C][C][N]",
"smiles": "CC(CCNCCC#N)CC(C)(C)CN"
} | C12H25N3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C12H25N3",
"role": "assistant"
}
] |
290 | {
"selfies": "[C][C][C][=Branch2][Ring2][C][=C][C][S][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N+1][=Ring1][=N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][Ring1][#C][C][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O]",
"smiles": "CCC(=Cc1sc2cc(OC)c(OC)cc2[n+]1CCCS(=O)(=O)O)C=C1Oc2ccc(-c3ccccc3)cc2N1CCC(C)S(=O)(=O)O"
} | C34H39N2O9S3+ | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C34H39N2O9S3+",
"role": "assistant"
}
] |
291 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][O][C][Branch1][C][O][=C][Ring2][Ring1][Ring2]",
"smiles": "CC(C)(C)c1ccc(SSc2cc(C(C)(C)C)ccc2O)c(O)c1"
} | C20H26O2S2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C20H26O2S2",
"role": "assistant"
}
] |
292 | {
"selfies": "[C][C][C][N][Branch1][C][C][C][C][C][=C][NH1][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][N][C][Ring1][P][O]",
"smiles": "CC1CN(C)C2Cc3c[nH]c4cccc(c34)C2C1O"
} | C16H20N2O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C16H20N2O",
"role": "assistant"
}
] |
293 | {
"selfies": "[C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C]",
"smiles": "CCC(=O)N1CC2CCC(C1)N2C(=O)CC"
} | C12H20N2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C12H20N2O2",
"role": "assistant"
}
] |
294 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]",
"smiles": "CN1C(=O)CC2(C1=O)c1ccccc1CCc1ccccc12"
} | C19H17NO2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "I'd like to know the molecular formula of <molecule_2d> . Can you tell me?",
"role": "user"
},
{
"content": "C19H17NO2",
"role": "assistant"
}
] |
295 | {
"selfies": "[C][C][C][C][C][=N][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C]",
"smiles": "CCCCC=NCCOC(=O)c1cccc(OC)c1OC"
} | C16H23NO4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C16H23NO4",
"role": "assistant"
}
] |
297 | {
"selfies": "[C][C][=C][C][=C][Branch1][#Branch2][N][N][=C][Branch1][Ring1][C][#N][C][#N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][S]",
"smiles": "Cc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1"
} | C10H7N5O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The representation <molecule_2d> represents a specific molecule. Can you reveal its molecular formula?",
"role": "user"
},
{
"content": "C10H7N5O2",
"role": "assistant"
}
] |
298 | {
"selfies": "[C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][C][C][=C][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][=N]",
"smiles": "CCCCCOc1ccc(C(=O)CC(c2ccc(OCCCCC)cc2)C2CCCCC2=O)cc1"
} | C31H42O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C31H42O4",
"role": "assistant"
}
] |
299 | {
"selfies": "[C][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][=Branch1][C][=O][N][C][C]",
"smiles": "CCCC(C)(COC(N)=O)COC(=O)NCC"
} | C11H22N2O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the representation of a molecule. What is its molecular formula?",
"role": "user"
},
{
"content": "C11H22N2O4",
"role": "assistant"
}
] |
303 | {
"selfies": "[C][C][=C][O][C][=C][C][Ring1][Branch1][=C][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][=C][=Ring1][#Branch1]",
"smiles": "Cc1c2occc2cc2ccc(=O)oc12"
} | C12H8O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the representation of a molecule. What is its molecular formula?",
"role": "user"
},
{
"content": "C12H8O3",
"role": "assistant"
}
] |
306 | {
"selfies": "[C][N][C][#N]",
"smiles": "CNC#N"
} | C2H4N2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the representation of a molecule. What is its molecular formula?",
"role": "user"
},
{
"content": "C2H4N2",
"role": "assistant"
}
] |
307 | {
"selfies": "[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C]",
"smiles": "CCOP(=O)(OCC)OP(=S)(OC)OC"
} | C6H16O6P2S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C6H16O6P2S",
"role": "assistant"
}
] |
308 | {
"selfies": "[C][C][C][O][P][=Branch1][C][=O][Branch1][Branch1][O][C][C][Cl][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "CCCOP(=O)(OCCCl)Oc1ccc([N+](=O)[O-])cc1"
} | C11H15ClNO6P | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C11H15ClNO6P",
"role": "assistant"
}
] |
309 | {
"selfies": "[O][C][C][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][C][Ring1][P][C][Ring2][Ring1][Branch1][C][Cl]",
"smiles": "OC1CCC2CN3CCc4c([nH]c5ccccc45)C3CC2C1CCl"
} | C20H25ClN2O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Given the representation <molecule_2d>, what would be its molecular formula?",
"role": "user"
},
{
"content": "C20H25ClN2O",
"role": "assistant"
}
] |
311 | {
"selfies": "[C][N][N][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][Cl][C][Ring1][=N][=O]",
"smiles": "Cn1ncc(N2CCOCC2)c(Cl)c1=O"
} | C9H12ClN3O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C9H12ClN3O2",
"role": "assistant"
}
] |
312 | {
"selfies": "[C][C][=N][C][=C][Branch1][O][C][S][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][=C][Ring1][=C][O]",
"smiles": "Cc1ncc(CSS(=O)(=O)O)c(CO)c1O"
} | C8H11NO5S2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C8H11NO5S2",
"role": "assistant"
}
] |
314 | {
"selfies": "[C][O][C][=N][C][Branch1][C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"smiles": "COc1nc(C)nc(OC)c1[N+](=O)[O-]"
} | C7H9N3O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C7H9N3O4",
"role": "assistant"
}
] |
315 | {
"selfies": "[C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]",
"smiles": "CC(NC(=O)C(Cc1ccccc1)NC(=O)CN)C(=O)NC(CC(=O)O)C(=O)O"
} | C18H24N4O7 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C18H24N4O7",
"role": "assistant"
}
] |
316 | {
"selfies": "[C][C][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][=N][C][C][Branch1][C][O][C][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]",
"smiles": "CC(CCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C"
} | C32H58N2O8S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C32H58N2O8S",
"role": "assistant"
}
] |
317 | {
"selfies": "[C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C]",
"smiles": "CC(=O)C(N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C"
} | C17H14Cl2N4O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C17H14Cl2N4O4",
"role": "assistant"
}
] |
318 | {
"selfies": "[C][C][=C][C][Branch1][C][C][=C][Branch1][#C][S][C][C][N+1][=N][O][C][Branch1][C][O-1][=C][Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][C]",
"smiles": "Cc1cc(C)c(SCC[n+]2noc([O-])c2C)c(C)c1"
} | C14H18N2O2S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the formula of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C14H18N2O2S",
"role": "assistant"
}
] |
319 | {
"selfies": "[O][=C][Branch1][Branch1][N][C][C][Cl][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "O=C(NCCCl)Oc1ccc([N+](=O)[O-])cc1"
} | C9H9ClN2O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C9H9ClN2O4",
"role": "assistant"
}
] |
320 | {
"selfies": "[C][C][C][Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "CCC(C)C(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1"
} | C23H38N6O5 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The representation <molecule_2d> represents a specific molecule. Can you reveal its molecular formula?",
"role": "user"
},
{
"content": "C23H38N6O5",
"role": "assistant"
}
] |
321 | {
"selfies": "[C][C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][#Branch1][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][O][C][Branch1][C][C][O]",
"smiles": "CCC(C)C(NC(=O)C1CCC(=O)N1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)C(C)O)C(C)O"
} | C48H65N11O12 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The representation <molecule_2d> represents a specific molecule. Can you reveal its molecular formula?",
"role": "user"
},
{
"content": "C48H65N11O12",
"role": "assistant"
}
] |
322 | {
"selfies": "[N][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Ring1][N][=O]",
"smiles": "NCC1CC(c2ccc(Cl)cc2)OC1=O"
} | C11H12ClNO2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the representation of a molecule. What is its molecular formula?",
"role": "user"
},
{
"content": "C11H12ClNO2",
"role": "assistant"
}
] |
323 | {
"selfies": "[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][C][C][C][Ring1][#Branch2][Ring1][=Branch1]",
"smiles": "Oc1cccc2c1CCC1NCCCC21"
} | C13H17NO | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The representation <molecule_2d> represents a specific molecule. Can you reveal its molecular formula?",
"role": "user"
},
{
"content": "C13H17NO",
"role": "assistant"
}
] |
324 | {
"selfies": "[C][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2]",
"smiles": "CNC(C)Cc1cc2c(cc1O)OCO2"
} | C11H15NO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The representation <molecule_2d> represents a specific molecule. Can you reveal its molecular formula?",
"role": "user"
},
{
"content": "C11H15NO3",
"role": "assistant"
}
] |
325 | {
"selfies": "[C][N][Branch1][C][C][C][=Branch1][C][=O][N][N][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"smiles": "CN(C)C(=O)NN(CCCN)C(=O)Oc1ccc([N+](=O)[O-])cc1"
} | C13H19N5O5 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Considering the code <molecule_2d>, can you determine the corresponding molecular formula?",
"role": "user"
},
{
"content": "C13H19N5O5",
"role": "assistant"
}
] |
326 | {
"selfies": "[C][O][C][C][C][C][Branch2][=Branch2][#Branch2][O][C][C][C][Branch2][Ring1][Ring1][C][O][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][C][C][Ring1][=Branch2][C][O][C][Ring1][#C][C][Branch1][C][C][C][C][C][Branch2][=Branch1][#C][C][Branch1][C][C][C][C][C][Branch2][Branch1][P][C][C][Branch1][C][O][C][Branch1][C][C][C][Branch2][Ring2][S][C][Branch1][C][C][C][O][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][Branch1][P][O][C][C][C][C][Branch1][Ring1][O][C][C][Branch1][C][C][O][Ring1][=Branch2][C][Ring2][Ring1][=Branch1][O][C][O][Ring2][Ring2][C][O][Ring2][Ring2][#Branch1][O][Ring2][Ring2][=N][O][C][Ring2][=Branch1][Ring1][C]",
"smiles": "COC1CCC(OC2CC(C3OC(C)(O)C(C)CC3C)OC2C2(C)CCC(C3(C)CCC4(CC(O)C(C)C(C(C)C5OC(O)(CC(=O)O)C(C)C(OC6CCC(OC)C(C)O6)C5OC)O4)O3)O2)OC1C"
} | C52H88O18 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the representation of a molecule <molecule_2d> into molecular formula.",
"role": "user"
},
{
"content": "C52H88O18",
"role": "assistant"
}
] |
327 | {
"selfies": "[C][C][N][C][Branch1][Branch2][N][=N][N][Branch1][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C]",
"smiles": "CCn1c(N=NN(C)C)nc2c1c(=O)n(C)c(=O)n2C"
} | C11H17N7O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the formula of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C11H17N7O2",
"role": "assistant"
}
] |
328 | {
"selfies": "[C][C][C][C][Sn][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][C][O][C]",
"smiles": "CCCC[Sn](CCCC)(CCCC)c1c(OC)ccc(C(=O)ON2C(=O)CCC2=O)c1OC"
} | C25H39NO6Sn | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the representation of a molecule. What is its molecular formula?",
"role": "user"
},
{
"content": "C25H39NO6Sn",
"role": "assistant"
}
] |
329 | {
"selfies": "[C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring2][Ring1][S][C]",
"smiles": "CC(C)C(C)CCC(C)C1CC(O)C2C3CCC4CC(O)CCC4(C)C3CCC12C"
} | C28H50O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Considering the code <molecule_2d>, can you determine the corresponding molecular formula?",
"role": "user"
},
{
"content": "C28H50O2",
"role": "assistant"
}
] |
330 | {
"selfies": "[C][C][C][O][C][=C][C][=C][NH1][C][=C][Branch1][=Branch2][C][=C][C][N][C][C][Ring1][=Branch1][C][Ring1][O][=C][Ring1][#C]",
"smiles": "CCCOc1ccc2[nH]cc(C3=CCNCC3)c2c1"
} | C16H20N2O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C16H20N2O",
"role": "assistant"
}
] |
331 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][Ring1][Branch2][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][P][=Ring1][#Branch1]",
"smiles": "Cc1cc2c(N)c(=O)occ2c2nc(N)n(C)c12"
} | C12H12N4O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please provide the molecular formula for <molecule_2d> .",
"role": "user"
},
{
"content": "C12H12N4O2",
"role": "assistant"
}
] |
332 | {
"selfies": "[C][N][C][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][N][Branch1][C][C][C][Ring2][Ring1][O][Ring2][Ring1][Branch2]",
"smiles": "CN1CCC2(C)c3cc(OC(=O)N4CCc5ccccc5C4)ccc3N(C)C12"
} | C23H27N3O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C23H27N3O2",
"role": "assistant"
}
] |
333 | {
"selfies": "[C][C][Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring1][C][=C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O]",
"smiles": "CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1C=CC(O)CC(O)CC(=O)O"
} | C25H26F2N2O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C25H26F2N2O4",
"role": "assistant"
}
] |
334 | {
"selfies": "[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][Branch1][#Branch1][C][Branch1][C][O][C][O][C][Ring1][=Branch2]",
"smiles": "Nc1ncnc2c1ncn2C1C=CC(C(O)CO)C1"
} | C12H15N5O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C12H15N5O2",
"role": "assistant"
}
] |
335 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][=N][Ring1][#Branch1]",
"smiles": "Cc1ccc(O)cc1CCC1C(=O)CC(O)C2(C)C(=O)CCC12"
} | C19H24O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Given the representation <molecule_2d>, what would be its molecular formula?",
"role": "user"
},
{
"content": "C19H24O4",
"role": "assistant"
}
] |
336 | {
"selfies": "[C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][O]",
"smiles": "CCCCCCCCC(O)CCCCCCC=CC(=O)O"
} | C18H34O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C18H34O3",
"role": "assistant"
}
] |
337 | {
"selfies": "[N-1][=N+1][=N][C][=C][C][=C][C][=C][Branch1][Ring2][N][=C][=S][C][=C][C][=C][Ring1][=N][Ring1][=Branch2]",
"smiles": "[N-]=[N+]=Nc1cccc2c(N=C=S)cccc12"
} | C11H6N4S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C11H6N4S",
"role": "assistant"
}
] |
338 | {
"selfies": "[N][C][=Branch1][C][=O][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NC(=O)NNCCc1ccccc1"
} | C9H13N3O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C9H13N3O",
"role": "assistant"
}
] |
339 | {
"selfies": "[N][C][Branch2][#Branch1][=Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Branch1][S][C][S][S][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]",
"smiles": "NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O"
} | C26H33N9O18S2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Given the representation <molecule_2d>, what would be its molecular formula?",
"role": "user"
},
{
"content": "C26H33N9O18S2",
"role": "assistant"
}
] |
341 | {
"selfies": "[C][C][O][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][O][C][Ring1][O][O]",
"smiles": "CC1OC(OP(=O)(O)O)C(O)C1O"
} | C5H11O7P | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C5H11O7P",
"role": "assistant"
}
] |
343 | {
"selfies": "[C][=C][N][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2]",
"smiles": "c1cnc2nccnc2n1"
} | C6H4N4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Considering the code <molecule_2d>, can you determine the corresponding molecular formula?",
"role": "user"
},
{
"content": "C6H4N4",
"role": "assistant"
}
] |
344 | {
"selfies": "[F][C][=C][C][=C][S][Ring1][Branch1]",
"smiles": "Fc1cccs1"
} | C4H3FS | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The representation <molecule_2d> represents a specific molecule. Can you reveal its molecular formula?",
"role": "user"
},
{
"content": "C4H3FS",
"role": "assistant"
}
] |
345 | {
"selfies": "[C][Si][Branch1][C][C][Branch1][C][C][O][Si][Branch1][C][C][Branch1][#Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)c1ccccc1"
} | C13H26O2Si3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "I'd like to know the molecular formula of <molecule_2d> . Can you tell me?",
"role": "user"
},
{
"content": "C13H26O2Si3",
"role": "assistant"
}
] |
346 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)cc1C(C)(C)C"
} | C22H38 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The representation <molecule_2d> represents a specific molecule. Can you reveal its molecular formula?",
"role": "user"
},
{
"content": "C22H38",
"role": "assistant"
}
] |
347 | {
"selfies": "[O][=C][C][C][=C][C][=C][C][Ring1][#Branch1]",
"smiles": "O=C1CC=CC=CC1"
} | C7H8O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C7H8O",
"role": "assistant"
}
] |
348 | {
"selfies": "[C][C][C][=C][O][C][C]",
"smiles": "CCC=COCC"
} | C6H12O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the formula of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C6H12O",
"role": "assistant"
}
] |
349 | {
"selfies": "[C][C][C][C][C][O][C][Branch1][C][C][C]",
"smiles": "CCCCCOC(C)C"
} | C8H18O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please provide the molecular formula for <molecule_2d> .",
"role": "user"
},
{
"content": "C8H18O",
"role": "assistant"
}
] |
350 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1]",
"smiles": "CC(C)(C)c1ccco1"
} | C8H12O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C8H12O",
"role": "assistant"
}
] |
351 | {
"selfies": "[C][#C][S][C]",
"smiles": "C#CSC"
} | C3H4S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Considering the code <molecule_2d>, can you determine the corresponding molecular formula?",
"role": "user"
},
{
"content": "C3H4S",
"role": "assistant"
}
] |
352 | {
"selfies": "[Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O]",
"smiles": "Clc1ccc2c(c1)Sc1ccccc1O2"
} | C12H7ClOS | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C12H7ClOS",
"role": "assistant"
}
] |
353 | {
"selfies": "[C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C]",
"smiles": "CCCC(C)C(C)CCC"
} | C10H22 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C10H22",
"role": "assistant"
}
] |
354 | {
"selfies": "[C][C][=C][C][=C][C][Branch1][#C][N][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][=C][Ring1][S]",
"smiles": "Cc1cccc(N=Nc2cc(C)ccc2O)c1"
} | C14H14N2O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula for the molecule denoted by <molecule_2d> ?",
"role": "user"
},
{
"content": "C14H14N2O",
"role": "assistant"
}
] |
355 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C]",
"smiles": "COC(=O)CC(C)(C)CC(=O)OC"
} | C9H16O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "I'd like to know the molecular formula of <molecule_2d> . Can you tell me?",
"role": "user"
},
{
"content": "C9H16O4",
"role": "assistant"
}
] |
356 | {
"selfies": "[C][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"smiles": "CCCCc1ccc(F)cc1"
} | C10H13F | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please provide the molecular formula for <molecule_2d> .",
"role": "user"
},
{
"content": "C10H13F",
"role": "assistant"
}
] |
357 | {
"selfies": "[C][=C][C][Branch1][Ring1][C][=C][Branch1][Ring1][C][=C][C][=C]",
"smiles": "C=CC(C=C)(C=C)C=C"
} | C9H12 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the representation of a molecule <molecule_2d> into molecular formula.",
"role": "user"
},
{
"content": "C9H12",
"role": "assistant"
}
] |
358 | {
"selfies": "[C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N+1][=Branch1][C][=O][O-1]",
"smiles": "CC([N+](=O)[O-])([N+](=O)[O-])C(C)([N+](=O)[O-])[N+](=O)[O-]"
} | C4H6N4O8 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Considering the code <molecule_2d>, can you determine the corresponding molecular formula?",
"role": "user"
},
{
"content": "C4H6N4O8",
"role": "assistant"
}
] |
359 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]",
"smiles": "COC(=O)CCCc1ccc(Oc2ccccc2)cc1"
} | C17H18O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the molecular formula of <molecule_2d> ?",
"role": "user"
},
{
"content": "C17H18O3",
"role": "assistant"
}
] |
360 | {
"selfies": "[O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N]",
"smiles": "Oc1cccc(N2CCOCC2)c1"
} | C10H13NO2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the formula of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C10H13NO2",
"role": "assistant"
}
] |