MMChat SFT
Collection
27 items
•
Updated
id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 2
23
| messages
listlengths 3
3
|
|---|---|---|---|
0 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Ring1][Branch2]",
"smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12"
} | C23H30ClN3O | [
{
"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": "C23H30ClN3O",
"role": "assistant"
}
] |
1 | {
"selfies": "[N][O][C][C][=Branch1][C][=O][O]",
"smiles": "NOCC(=O)O"
} | C2H5NO3 | [
{
"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": "C2H5NO3",
"role": "assistant"
}
] |
2 | {
"selfies": "[C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N+1][Branch1][C][C][=C][Ring1][#Branch1]",
"smiles": "CN1CCCC1c1ccc[n+](C)c1"
} | C11H17N2+ | [
{
"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": "C11H17N2+",
"role": "assistant"
}
] |
3 | {
"selfies": "[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][O]",
"smiles": "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO"
} | C40H66O | [
{
"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": "C40H66O",
"role": "assistant"
}
] |
4 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][Branch1][C][N][C][Branch2][Ring2][N][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][O][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][Branch1][C][O][C][Ring1][=C][O][O][C][Branch1][Ring1][C][O][C][Ring2][Ring2][C][O]",
"smiles": "CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C1O"
} | C29H51N3O18P2 | [
{
"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": "C29H51N3O18P2",
"role": "assistant"
}
] |
5 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][C][C][N][C][=N][C][=C][C][=C][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][N]",
"smiles": "CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1"
} | C28H41N7O3 | [
{
"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": "C28H41N7O3",
"role": "assistant"
}
] |
6 | {
"selfies": "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Ring1][C][F][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring1][=N][=O]",
"smiles": "Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O"
} | C16H14FN3O | [
{
"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": "C16H14FN3O",
"role": "assistant"
}
] |
7 | {
"selfies": "[C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C]",
"smiles": "CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C"
} | C20H30 | [
{
"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": "C20H30",
"role": "assistant"
}
] |
8 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][Ring1][S]",
"smiles": "COC(=O)C1CSC2(c3ccccc3)c3ccccc3C(=O)N12"
} | C18H15NO3S | [
{
"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": "C18H15NO3S",
"role": "assistant"
}
] |
9 | {
"selfies": "[C][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=C][N][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][N][C][C][C][C][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][Ring2][Ring2][#Branch1][=O]",
"smiles": "CCC(C)C1NC(=O)C(c2cn(OC)c3ccccc23)NC(=O)C(CCCCCC(=O)OC)NC(=O)C2CCCCN2C1=O"
} | C32H45N5O7 | [
{
"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": "C32H45N5O7",
"role": "assistant"
}
] |
10 | {
"selfies": "[O][=C][Branch1][N][N][N][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"smiles": "O=C(NNCS(=O)(=O)O)c1ccncc1"
} | C7H9N3O4S | [
{
"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": "C7H9N3O4S",
"role": "assistant"
}
] |
11 | {
"selfies": "[C][#C][C][O][S][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]",
"smiles": "C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1"
} | C19H26O4S | [
{
"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": "C19H26O4S",
"role": "assistant"
}
] |
12 | {
"selfies": "[C][O][C][C][C][C][C][C][Branch1][C][C][C][Branch1][C][O][Branch1][Ring2][O][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch2][Ring1][Branch1][C][Branch1][C][C][C][C][C][C][C][Branch1][C][O][C][Branch1][Ring1][O][C][C][Ring1][=Branch2][C][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring2][Branch1][=C][C]",
"smiles": "COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C"
} | C51H79NO13 | [
{
"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": "C51H79NO13",
"role": "assistant"
}
] |
14 | {
"selfies": "[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "O=S(=O)(c1ccccc1)c1ccc(Cl)cc1"
} | C12H9ClO2S | [
{
"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": "C12H9ClO2S",
"role": "assistant"
}
] |
15 | {
"selfies": "[C][=C][C][=C][Branch2][Ring1][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P]",
"smiles": "c1ccc(-c2cnc(-c3ccccc3)o2)cc1"
} | C15H11NO | [
{
"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": "C15H11NO",
"role": "assistant"
}
] |
16 | {
"selfies": "[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]",
"smiles": "Cc1nc2ccccc2s1"
} | C8H7NS | [
{
"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": "C8H7NS",
"role": "assistant"
}
] |
18 | {
"selfies": "[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C]",
"smiles": "COP(=S)(OC)OC"
} | C3H9O3PS | [
{
"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": "C3H9O3PS",
"role": "assistant"
}
] |
19 | {
"selfies": "[C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1"
} | C11H14ClN5 | [
{
"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": "C11H14ClN5",
"role": "assistant"
}
] |
20 | {
"selfies": "[O][=C][=N][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "O=C=NCC(F)(F)C(F)(F)C(F)(F)F"
} | C5H2F7NO | [
{
"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": "C5H2F7NO",
"role": "assistant"
}
] |
22 | {
"selfies": "[C][C][Branch1][C][C][C][S]",
"smiles": "CC(C)CS"
} | C4H10S | [
{
"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": "C4H10S",
"role": "assistant"
}
] |
23 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]",
"smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC"
} | C32H66 | [
{
"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": "C32H66",
"role": "assistant"
}
] |
24 | {
"selfies": "[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O]",
"smiles": "c1ccc2c(c1)Cc1ccccc1C2"
} | C14H12 | [
{
"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": "C14H12",
"role": "assistant"
}
] |
25 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][N][=O]",
"smiles": "CCOC(=O)N(CC)N=O"
} | C5H10N2O3 | [
{
"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": "C5H10N2O3",
"role": "assistant"
}
] |
26 | {
"selfies": "[O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br]",
"smiles": "Oc1ccc(Br)cc1Br"
} | C6H4Br2O | [
{
"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": "C6H4Br2O",
"role": "assistant"
}
] |
27 | {
"selfies": "[O][=C][C][=C][NH1][C][=C][Ring1][=Branch1]",
"smiles": "O=c1cc[nH]cc1"
} | C5H5NO | [
{
"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": "C5H5NO",
"role": "assistant"
}
] |
28 | {
"selfies": "[C][C][=C][C][Branch2][Ring1][Ring1][O][C][=C][Branch1][C][I][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][#Branch2][I][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][O]",
"smiles": "Cc1cc(Oc2c(I)cc(CCO)cc2I)cc(C)c1O"
} | C16H16I2O3 | [
{
"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": "C16H16I2O3",
"role": "assistant"
}
] |
29 | {
"selfies": "[C][C][C][C][O][P][Branch1][Branch1][O][C][Ring1][=Branch1][O][C][Ring1][Branch2]",
"smiles": "CCC12COP(OC1)OC2"
} | C6H11O3P | [
{
"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": "C6H11O3P",
"role": "assistant"
}
] |
30 | {
"selfies": "[C][C][C][C][C][C][C][C][Branch1][C][Cl][C][C]",
"smiles": "CCCCCCCC(Cl)CC"
} | C10H21Cl | [
{
"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": "C10H21Cl",
"role": "assistant"
}
] |
31 | {
"selfies": "[C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=S][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]",
"smiles": "CN(C(=S)Oc1ccc2ccccc2c1)c1cccc2ccccc12"
} | C22H17NOS | [
{
"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": "C22H17NOS",
"role": "assistant"
}
] |
32 | {
"selfies": "[C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][S]",
"smiles": "Cc1cc(C(=O)NNCc2ccccc2)on1"
} | C12H13N3O2 | [
{
"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": "C12H13N3O2",
"role": "assistant"
}
] |
33 | {
"selfies": "[C][Si][Branch1][C][Cl][Branch1][C][Cl][C][C][C][C][#N]",
"smiles": "C[Si](Cl)(Cl)CCCC#N"
} | C5H9Cl2NSi | [
{
"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": "C5H9Cl2NSi",
"role": "assistant"
}
] |
34 | {
"selfies": "[C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]",
"smiles": "c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1"
} | C23H23NO | [
{
"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": "C23H23NO",
"role": "assistant"
}
] |
35 | {
"selfies": "[C][=C][Branch1][Ring1][C][C][C][C][C][C]",
"smiles": "C=C(CC)CCCC"
} | C8H16 | [
{
"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": "C8H16",
"role": "assistant"
}
] |
36 | {
"selfies": "[C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "C=CC(=O)OC(C)(C)C"
} | C7H12O2 | [
{
"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": "C7H12O2",
"role": "assistant"
}
] |
37 | {
"selfies": "[N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring1][S][=O]",
"smiles": "NC(=O)Cn1c(=O)n(CC(N)=O)c(=O)n(CC(N)=O)c1=O"
} | C9H12N6O6 | [
{
"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": "C9H12N6O6",
"role": "assistant"
}
] |
38 | {
"selfies": "[N][#C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][Ring1][O][Cl]",
"smiles": "N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl"
} | C8Cl4N2 | [
{
"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": "C8Cl4N2",
"role": "assistant"
}
] |
39 | {
"selfies": "[C][C][Branch1][Ring1][C][Cl][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"smiles": "CC(CCl)OC(=O)Nc1cccc(Cl)c1"
} | C10H11Cl2NO2 | [
{
"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": "C10H11Cl2NO2",
"role": "assistant"
}
] |
40 | {
"selfies": "[N][C][=Branch1][C][=O][N][Hg][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NC(=O)N[Hg]c1ccccc1"
} | C7H8HgN2O | [
{
"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": "C7H8HgN2O",
"role": "assistant"
}
] |
45 | {
"selfies": "[Cl][C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]",
"smiles": "Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1"
} | C21H14ClN3 | [
{
"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": "C21H14ClN3",
"role": "assistant"
}
] |
46 | {
"selfies": "[N][C][Branch1][N][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][=N][O]",
"smiles": "NC(CCN1CCCCCC1)=NO"
} | C9H19N3O | [
{
"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": "C9H19N3O",
"role": "assistant"
}
] |
47 | {
"selfies": "[C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring2][Ring1][#Branch1]",
"smiles": "CCOc1ccc(Oc2nc3ccccc3n2CCN(CC)CC)cc1"
} | C21H27N3O2 | [
{
"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": "C21H27N3O2",
"role": "assistant"
}
] |
49 | {
"selfies": "[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]",
"smiles": "CC(=O)Oc1ccccc1Cl"
} | C8H7ClO2 | [
{
"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": "C8H7ClO2",
"role": "assistant"
}
] |
50 | {
"selfies": "[C][C][Branch2][Ring1][O][C][C][=C][NH1][C][=C][C][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Ring1][=C][N][Branch1][C][C][C]",
"smiles": "CC(Cc1c[nH]c2ccc(SCc3ccccc3)cc12)N(C)C"
} | C20H24N2S | [
{
"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": "C20H24N2S",
"role": "assistant"
}
] |
51 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]",
"smiles": "CCN(CC)CCN(c1ccccc1)C(C)C"
} | C15H26N2 | [
{
"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": "C15H26N2",
"role": "assistant"
}
] |
52 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O]",
"smiles": "CCOC(=O)N(CCCl)N=O"
} | C5H9ClN2O3 | [
{
"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": "C5H9ClN2O3",
"role": "assistant"
}
] |
53 | {
"selfies": "[Cl][Fe][Cl]",
"smiles": "Cl[Fe]Cl"
} | Cl2Fe | [
{
"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": "Cl2Fe",
"role": "assistant"
}
] |
54 | {
"selfies": "[C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][P]",
"smiles": "COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1"
} | C16H16N2O4 | [
{
"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": "C16H16N2O4",
"role": "assistant"
}
] |
56 | {
"selfies": "[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]",
"smiles": "Oc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCCC2)cc1"
} | C29H31NO2 | [
{
"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": "C29H31NO2",
"role": "assistant"
}
] |
57 | {
"selfies": "[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C]",
"smiles": "CC(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1"
} | C14H19NO6 | [
{
"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": "C14H19NO6",
"role": "assistant"
}
] |
58 | {
"selfies": "[N][#C][C][Branch1][Ring1][C][#N][=C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "N#CC(C#N)=CC#Cc1ccccc1"
} | C12H6N2 | [
{
"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": "C12H6N2",
"role": "assistant"
}
] |
60 | {
"selfies": "[C][=C][C][C][=C][C][=C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][=C][Ring1][=N]",
"smiles": "C=CCc1ccc(OC(=O)NC)c(OC)c1"
} | C12H15NO3 | [
{
"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": "C12H15NO3",
"role": "assistant"
}
] |
61 | {
"selfies": "[C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "COc1cc(N)ccc1OCCCCCc1ccccc1"
} | C18H23NO2 | [
{
"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": "C18H23NO2",
"role": "assistant"
}
] |
62 | {
"selfies": "[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]",
"smiles": "CC(C)C(=O)OCC(C)(C)C(OC(=O)c1ccccc1C(=O)OCc1ccccc1)C(C)C"
} | C27H34O6 | [
{
"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": "C27H34O6",
"role": "assistant"
}
] |
64 | {
"selfies": "[C][C][O][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]",
"smiles": "CCOCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O"
} | C17H14O5 | [
{
"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": "C17H14O5",
"role": "assistant"
}
] |
65 | {
"selfies": "[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2]",
"smiles": "COc1ccc2c(c1)OC(C)(C)C=C2"
} | C12H14O2 | [
{
"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": "C12H14O2",
"role": "assistant"
}
] |
66 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCCCCCCCCCCCCCCCCCCC(=O)OCC"
} | C22H44O2 | [
{
"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": "C22H44O2",
"role": "assistant"
}
] |
68 | {
"selfies": "[C][C][C][C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][O][C][Ring1][=Branch2]",
"smiles": "CCCC1COC(C(C)C)OC1"
} | C10H20O2 | [
{
"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": "C10H20O2",
"role": "assistant"
}
] |
69 | {
"selfies": "[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][O]",
"smiles": "CS(=O)(=O)OCCO"
} | C3H8O4S | [
{
"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": "C3H8O4S",
"role": "assistant"
}
] |
70 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][O][C][C]",
"smiles": "CCOC(=O)C(C)(CCOC)C(=O)OCC"
} | C11H20O5 | [
{
"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": "C11H20O5",
"role": "assistant"
}
] |
72 | {
"selfies": "[C][C][S][C][C][Branch1][C][N][C][=Branch1][C][=O][O]",
"smiles": "CCSCC(N)C(=O)O"
} | C5H11NO2S | [
{
"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": "C5H11NO2S",
"role": "assistant"
}
] |
73 | {
"selfies": "[C][C][C][C][C][C][C][C][C][=O]",
"smiles": "CCCCCCCCC=O"
} | C9H18O | [
{
"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": "C9H18O",
"role": "assistant"
}
] |
78 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1]",
"smiles": "COc1ccccc1N1CCN(C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)CC1"
} | C26H27ClN2O2 | [
{
"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": "C26H27ClN2O2",
"role": "assistant"
}
] |
79 | {
"selfies": "[C][N][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][=C][Ring1][#Branch2]",
"smiles": "CNc1cccc2c(OC)c(OC)ccc12"
} | C13H15NO2 | [
{
"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": "C13H15NO2",
"role": "assistant"
}
] |
80 | {
"selfies": "[C][C][C][C][As][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCCC[As](Sc1ccccc1)c1ccccc1"
} | C16H19AsS | [
{
"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": "C16H19AsS",
"role": "assistant"
}
] |
81 | {
"selfies": "[C][C][C][N][Branch1][Ring2][C][C][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][Ring1][=C]",
"smiles": "CCCN(CCC)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1"
} | C11H14Cl6N4 | [
{
"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": "C11H14Cl6N4",
"role": "assistant"
}
] |
82 | {
"selfies": "[C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C]",
"smiles": "CCCCC(=O)C=C(C)OC"
} | C9H16O2 | [
{
"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": "C9H16O2",
"role": "assistant"
}
] |
83 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl]",
"smiles": "CCN(CC)C(=O)CC(O)C(Cl)(Cl)Cl"
} | C8H14Cl3NO2 | [
{
"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": "C8H14Cl3NO2",
"role": "assistant"
}
] |
85 | {
"selfies": "[N-1][=N+1][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][Ring1][Branch2]",
"smiles": "[N-]=[N+]=Cc1nc(N)nc(N)n1"
} | C4H5N7 | [
{
"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": "C4H5N7",
"role": "assistant"
}
] |
86 | {
"selfies": "[C][S][C][Branch1][Ring1][S][C][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][Cl][Cl][=N][Ring1][#Branch2]",
"smiles": "CSC(SC)c1nc(C)nc(C(Cl)Cl)n1"
} | C8H11Cl2N3S2 | [
{
"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": "C8H11Cl2N3S2",
"role": "assistant"
}
] |
87 | {
"selfies": "[O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Cl]",
"smiles": "O=C(C=Cc1ccccc1)NCCCl"
} | C11H12ClNO | [
{
"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": "C11H12ClNO",
"role": "assistant"
}
] |
88 | {
"selfies": "[C][C][C][C][O][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][Ring1][O]",
"smiles": "CCCCOc1nc(C)nc(C(Cl)(Cl)Cl)n1"
} | C9H12Cl3N3O | [
{
"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": "C9H12Cl3N3O",
"role": "assistant"
}
] |
91 | {
"selfies": "[C][=C][Branch1][C][C][C][N][C][C][C][=C][Branch1][C][C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=N][Ring1][=Branch2]",
"smiles": "C=C(C)CNCCc1c(C)[nH]c2ccc(OC)c(C)c12"
} | C17H24N2O | [
{
"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": "C17H24N2O",
"role": "assistant"
}
] |
93 | {
"selfies": "[C][O][C][=C][C][Branch1][=C][C][=C][C][=Branch1][C][=O][N][C][C][C][O][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C]",
"smiles": "COc1cc(C=CC(=O)N2CCCO2)cc(OC)c1OC"
} | C15H19NO5 | [
{
"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": "C15H19NO5",
"role": "assistant"
}
] |
94 | {
"selfies": "[C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][N][=C][N][=C][Ring1][Branch1][C][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring2][Ring1][C][=Ring1][#Branch1]",
"smiles": "Cc1cc(N(C)C)c2ncnc-2c2nc(N)n(C)c12"
} | C13H16N6 | [
{
"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": "C13H16N6",
"role": "assistant"
}
] |
96 | {
"selfies": "[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "O=C(c1ccccc1)N(O)CN1CCOCC1"
} | C12H16N2O3 | [
{
"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": "C12H16N2O3",
"role": "assistant"
}
] |
97 | {
"selfies": "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "Cc1cccc2c1C(=O)N(C)C(C)C2c1ccccc1"
} | C18H19NO | [
{
"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": "C18H19NO",
"role": "assistant"
}
] |
98 | {
"selfies": "[C][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Ring1][#Branch1]",
"smiles": "CCC1(C)COC(=O)C1"
} | C7H12O2 | [
{
"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": "C7H12O2",
"role": "assistant"
}
] |
100 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCOC(=O)C(CN1CCCCC1)(C(=O)OCC)c1ccccc1"
} | C19H27NO4 | [
{
"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": "C19H27NO4",
"role": "assistant"
}
] |
102 | {
"selfies": "[C][C][Branch1][Ring1][C][=O][=C][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "CC(C=O)=CC(C)(C)C"
} | C8H14O | [
{
"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": "C8H14O",
"role": "assistant"
}
] |
104 | {
"selfies": "[C][N][Branch1][#Branch2][S][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]",
"smiles": "CN(SN1CCOCC1)C(=O)Oc1cccc2c1OC(C)(C)C2"
} | C16H22N2O4S | [
{
"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": "C16H22N2O4S",
"role": "assistant"
}
] |
105 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][Branch1][Ring1][C][O][=N][NH1][C][=Branch1][C][=O][C][Ring1][=Branch2][=C][Ring1][=C][C]",
"smiles": "CCOC(=O)c1c(C)cc2c(CO)n[nH]c(=O)c2c1C"
} | C14H16N2O4 | [
{
"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": "C14H16N2O4",
"role": "assistant"
}
] |
106 | {
"selfies": "[C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Ring1][=N][C]",
"smiles": "CC1(C)C(=O)CCC2CC(=O)CCC21C"
} | C13H20O2 | [
{
"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": "C13H20O2",
"role": "assistant"
}
] |
107 | {
"selfies": "[C][#C][C][O][C][Branch1][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]",
"smiles": "C#CCOC(C)n1ccc2ccccc21"
} | C13H13NO | [
{
"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": "C13H13NO",
"role": "assistant"
}
] |
108 | {
"selfies": "[C][C][=C][C][=C][C][Branch1][N][O][C][=Branch1][C][=O][N][Branch1][C][C][N][=O][=C][Ring1][=N]",
"smiles": "Cc1cccc(OC(=O)N(C)N=O)c1"
} | C9H10N2O3 | [
{
"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": "C9H10N2O3",
"role": "assistant"
}
] |
109 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][S][C][N][C][C][C][C][C][Ring1][=Branch1]",
"smiles": "COc1ccc(C(=O)c2ccccc2)c(OC)c1CN1CCCCC1"
} | C21H25NO3 | [
{
"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": "C21H25NO3",
"role": "assistant"
}
] |
111 | {
"selfies": "[C][C][Branch1][C][C][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]",
"smiles": "CC(C)NCC(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl"
} | C21H23Cl2N3O3 | [
{
"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": "C21H23Cl2N3O3",
"role": "assistant"
}
] |
112 | {
"selfies": "[C][N][C][C][N][Branch2][Ring1][Branch1][C][=C][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][C][Ring2][Ring1][C]",
"smiles": "CN1CCN(c2c(N)c(=O)oc3ccccc23)CC1"
} | C14H17N3O2 | [
{
"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": "C14H17N3O2",
"role": "assistant"
}
] |
113 | {
"selfies": "[O][=C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(O)C(Cl)(Cl)c1ccccc1"
} | C8H6Cl2O2 | [
{
"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": "C8H6Cl2O2",
"role": "assistant"
}
] |
114 | {
"selfies": "[O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][C][C][N][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][F]",
"smiles": "Oc1cccc(F)c1C=NCCN=Cc1c(O)cccc1F"
} | C16H14F2N2O2 | [
{
"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": "C16H14F2N2O2",
"role": "assistant"
}
] |
115 | {
"selfies": "[O][=C][Branch1][#Branch2][N][N][=C][S][C][C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(NN=C1SCCS1)c1ccccc1"
} | C10H10N2OS2 | [
{
"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": "C10H10N2OS2",
"role": "assistant"
}
] |
119 | {
"selfies": "[C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1]",
"smiles": "CCCCCCOc1ccc(NC(=O)OC(C)CN(CC)CC)c(C)c1"
} | C21H36N2O3 | [
{
"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": "C21H36N2O3",
"role": "assistant"
}
] |
120 | {
"selfies": "[C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][O][N+1][Branch1][C][C][Branch1][C][C][C][C][O][C][=C][Ring1][N]",
"smiles": "CN(C)C(=O)Oc1ccc([N+](C)(C)CCO)cc1"
} | C13H21N2O3+ | [
{
"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": "C13H21N2O3+",
"role": "assistant"
}
] |
122 | {
"selfies": "[C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "CC(=O)N(C(C)=O)C(C)(C)C"
} | C8H15NO2 | [
{
"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": "C8H15NO2",
"role": "assistant"
}
] |
123 | {
"selfies": "[C][N][Branch1][C][C][C][C][C][C][C][C][Branch1][N][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][Br][C][Ring1][O]",
"smiles": "CN(C)CC12CC3CC(CC(C3)C1Br)C2"
} | C13H22BrN | [
{
"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": "C13H22BrN",
"role": "assistant"
}
] |
124 | {
"selfies": "[O][C][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch1][O]",
"smiles": "OC1C=Cc2cc3c4ccccc4c4ccccc4c3cc2C1O"
} | C22H16O2 | [
{
"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": "C22H16O2",
"role": "assistant"
}
] |
126 | {
"selfies": "[C][C][Branch1][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2]",
"smiles": "CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1"
} | C26H23F2NO4 | [
{
"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": "C26H23F2NO4",
"role": "assistant"
}
] |
127 | {
"selfies": "[C][O][C][=C][C][=C][C][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O]",
"smiles": "COc1cccc(C[N+](C)(C)C)c1"
} | C11H18NO+ | [
{
"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": "C11H18NO+",
"role": "assistant"
}
] |
128 | {
"selfies": "[C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl]",
"smiles": "C=Cc1cc(Cl)c(Cl)c(Cl)c1Cl"
} | C8H4Cl4 | [
{
"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": "C8H4Cl4",
"role": "assistant"
}
] |
130 | {
"selfies": "[C][O][C][=C][C][Branch1][Ring2][C][=N][O][=C][C][Branch1][C][I][=C][Ring1][#Branch2][O]",
"smiles": "COc1cc(C=NO)cc(I)c1O"
} | C8H8INO3 | [
{
"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": "C8H8INO3",
"role": "assistant"
}
] |
131 | {
"selfies": "[C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)CCc1ccccc1"
} | C21H24F3NO2 | [
{
"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": "C21H24F3NO2",
"role": "assistant"
}
] |
End of preview. Expand
in Dataset Viewer.
README.md exists but content is empty.
Use the Edit dataset card button to edit it.
- Downloads last month
- 19
Size of downloaded dataset files:
30.5 MB
Size of the auto-converted Parquet files:
30.5 MB
Number of rows:
278,214