id
int64 0
71k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
300 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring2][N][=C][=O][=C][Ring1][#Branch2]",
"[N][#C][C][C][Branch1][C][Cl][=N][S][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][S][N][=C][Branch1][C][Cl][C][=Ring1][=Branch1][C][#N][C][=C][Ring1][=C][=C][Ring2][Ring1][=Branch2]"
],
"smiles": [
"Cc1ccc(F)c(N=C=O)c1",
"N#Cc1c(Cl)nsc1-c1ccc(N)cc1",
"Cc1ccc(F)c(NC(=O)Nc2ccc(-c3snc(Cl)c3C#N)cc2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
301 | {
"selfies": [
"[C][C][Branch1][C][N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][Branch1][C][C][C][O][Ring1][#Branch1]",
"[N][#C][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Cl]",
"[C][C][Branch1][#C][N][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][#N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][Branch1][C][C][C][O][Ring1][#Branch1]"
],
"smiles": [
"CC(N)c1nc2ccc(F)c3c2n1C(C)CO3",
"N#Cc1c(N)ncnc1Cl",
"CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)c3c2n1C(C)CO3"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CC(C)O .",
"role": "assistant"
}
] | |
302 | {
"selfies": [
"[C][C][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][F][Branch1][C][F][F]",
"[N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S]",
"[C][C][Branch1][C][O][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"CC(O)(C(=O)O)C(F)(F)F",
"Nc1ccc(S(=O)(=O)c2ccccc2F)cc1",
"CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2F)cc1)C(F)(F)F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)N(C)C.ClCCl .",
"role": "assistant"
}
] | |
303 | {
"selfies": [
"[C][I]",
"[F][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1]",
"[C][N][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]"
],
"smiles": [
"CI",
"Fc1cccc2[nH]ccc12",
"Cn1ccc2c(F)cccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CN(C)C=O .",
"role": "assistant"
}
] | |
304 | {
"selfies": [
"[C][Si][Branch1][C][C][Branch1][C][C][C][#C][C][=C][NH1][C][=N][C][=N][C][=C][Ring1][=Branch2][Ring1][=Branch1]",
"[C][#C][C][=C][NH1][C][=N][C][=N][C][=C][Ring1][=Branch2][Ring1][=Branch1]"
],
"smiles": [
"C[Si](C)(C)C#Cc1c[nH]c2ncncc12",
"C#Cc1c[nH]c2ncncc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOC(C)=O.CO .",
"role": "assistant"
}
] | |
305 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][#C]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"O=[N+]([O-])c1ccc(C2CCNCC2)cc1",
"CC(C)(C)OC(=O)N1CCC(c2ccc([N+](=O)[O-])cc2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClC(Cl)Cl .",
"role": "assistant"
}
] | |
306 | {
"selfies": [
"[C][C][C][C][C][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][C][C][C][C][Branch1][Ring2][C][C][O][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"CCCCCCC(CC(=O)O)C(F)(F)F",
"CCCCCCC(CCO)C(F)(F)F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CCOCC .",
"role": "assistant"
}
] | |
307 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=S][C][Branch1][=N][C][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][C][Ring1][=N]",
"[C][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]",
"[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][N][=C][Ring1][#Branch1][C][C][=C][Ring1][P][N][C][=Branch1][C][=S][C][Branch1][=N][C][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][C][Ring1][=N]"
],
"smiles": [
"COC(=O)C(Cc1ccc(N)cc1)NC(=S)C1(CCCCS(C)(=O)=O)CCCC1",
"Cc1ccnc(C)c1C(=O)O",
"COC(=O)C(Cc1ccc(NC(=O)c2c(C)ccnc2C)cc1)NC(=S)C1(CCCCS(C)(=O)=O)CCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl.O .",
"role": "assistant"
}
] | |
308 | {
"selfies": [
"[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][S]",
"[C][N][C][C][N][C][C][Ring1][=Branch1]",
"[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch1]"
],
"smiles": [
"CCn1cc(C(=O)O)c(=O)c2cc(Br)c(Cl)cc21",
"CN1CCNCC1",
"CCn1cc(C(=O)O)c(=O)c2cc(Br)c(N3CCN(C)CC3)cc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CS(C)=O.O .",
"role": "assistant"
}
] | |
309 | {
"selfies": [
"[C][O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1]"
],
"smiles": [
"COc1ccc2[nH]ccc2c1",
"COc1ccc2c(c1)CCN2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC(=O)O.ClCCl .",
"role": "assistant"
}
] | |
310 | {
"selfies": [
"[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#Branch1]",
"[O][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#Branch1]"
],
"smiles": [
"O=C(OCc1ccccc1)C1(C(F)(F)F)CO1",
"O=C(O)C1(C(F)(F)F)CO1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
311 | {
"selfies": [
"[O][=C][Branch1][C][Cl][C][=Branch1][C][=O][Cl]",
"[O][=C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[O][=C][Branch1][C][Cl][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]"
],
"smiles": [
"O=C(Cl)C(=O)Cl",
"O=C(O)Cc1ccc(F)cc1",
"O=C(Cl)Cc1ccc(F)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
312 | {
"selfies": [
"[C][I]",
"[C][N][N][=N][C][Branch2][Branch1][P][N][Branch2][Ring1][=C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring2][Branch2]",
"[C][O][C][Branch2][Branch1][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][N][Branch2][Ring1][=C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]"
],
"smiles": [
"CI",
"Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2C(O)C2CCCCC2)n1",
"COC(c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)C1CCCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
313 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Cl]",
"[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][C]"
],
"smiles": [
"COc1ccc(S(=O)(=O)Cl)cc1",
"Nc1cc(Br)cnc1Cl",
"COc1ccc(S(=O)(=O)Nc2cc(Br)cnc2Cl)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
314 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][Br][=C][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1]",
"[O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][Br][=C][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1]"
],
"smiles": [
"CCOC(=O)c1cc(C(F)(F)F)cc(Br)c1N1CCCCC1",
"O=C(O)c1cc(C(F)(F)F)cc(Br)c1N1CCCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
315 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][=N]",
"[O][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][N][=C][Ring2][Ring1][=Branch1]"
],
"smiles": [
"COC(=O)c1ccc(NC2CCNCC2)nc1",
"O=C=Nc1ccccc1",
"COC(=O)c1ccc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
316 | {
"selfies": [
"[C][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl]",
"[N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[C][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]"
],
"smiles": [
"Cc1cnc(Cl)nc1Cl",
"Nc1ccc(Cl)c(Cl)c1",
"Cc1cnc(Cl)nc1Nc1ccc(Cl)c(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCCCO .",
"role": "assistant"
}
] | |
317 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2][C][C][C][Ring1][Ring1]",
"[N][#C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=C][C][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][Ring2][Ring1][#Branch1][=Ring1][O]",
"[C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=N][O][C][=C][C][=C][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][Ring1][O][=C][Ring1][#C][C][#N][=C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][S][C][C][C][Ring1][Ring1]"
],
"smiles": [
"CC(C)(C)n1ncc(C(=O)O)c1C1CC1",
"N#Cc1c(Oc2cccc(N)c2)ccc2nc(NC(=O)C3CC3)sc12",
"CC(C)(C)n1ncc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3C#N)c2)c1C1CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1.CCOC(C)=O .",
"role": "assistant"
}
] | |
318 | {
"selfies": [
"[O][=C][Branch2][Ring2][S][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O][N][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring1][P][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch1][C][O][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O][N][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring1][P]"
],
"smiles": [
"O=C(CC(C(=O)NC1CCCCNC1=O)N1C=CN(c2ccc(-c3ccccc3)cc2)C1)OCc1ccccc1",
"O=C(O)CC(C(=O)NC1CCCCNC1=O)N1C=CN(c2ccc(-c3ccccc3)cc2)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
319 | {
"selfies": [
"[C][C][=C][C][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][N]",
"[O][=C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]",
"[C][C][=C][C][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]"
],
"smiles": [
"Cc1cc(CC(=O)OC(C)(C)C)ccc1N",
"O=C=Nc1c(Cl)cccc1Cl",
"Cc1cc(CC(=O)OC(C)(C)C)ccc1NC(=O)Nc1c(Cl)cccc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
320 | {
"selfies": [
"[C][C][C][N][C][C][Ring1][=Branch1]",
"[O][=C][Branch2][Ring1][O][N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N][C][C][C][Branch1][Branch1][C][C][C][Br][C][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[O][=C][Branch2][Ring2][C][N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N][C][C][C][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]"
],
"smiles": [
"C1CCNCC1",
"O=C(Nc1cc(Cl)cnc1N1CCC(CCCBr)CC1)c1cccc(Cl)c1",
"O=C(Nc1cc(Cl)cnc1N1CCC(CCCN2CCCCC2)CC1)c1cccc(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
321 | {
"selfies": [
"[C][I]",
"[C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][Br]",
"[C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][=Branch2]"
],
"smiles": [
"CI",
"Cc1cc(O)cc(C)c1Br",
"COc1cc(C)c(Br)c(C)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
322 | {
"selfies": [
"[C][C][C][N][C][Ring1][Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch1][=N][N][C][C][C][C][N][C][C][C][C][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"C1CCNC1",
"CS(=O)(=O)OCCCCNC(=O)OCc1ccccc1",
"O=C(NCCCCN1CCCC1)OCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
323 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][N][C][C][S][C][C][Ring1][=Branch1][C][=C][Ring1][N]",
"[N][C][=C][C][=C][Branch1][=Branch2][N][C][C][S][C][C][Ring1][=Branch1][C][=C][Ring1][N]"
],
"smiles": [
"O=[N+]([O-])c1ccc(N2CCSCC2)cc1",
"Nc1ccc(N2CCSCC2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1COCCO1 .",
"role": "assistant"
}
] | |
324 | {
"selfies": [
"[C][C][O][C][C][N][Ring1][=Branch1]",
"[C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][=C][C][=N][C][=C][C][Branch1][Branch1][O][C][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][Ring1][N]",
"[C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][=C][C][=N][C][=C][C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Branch1][Ring1][P]"
],
"smiles": [
"C1COCCN1",
"CCCOC(=O)c1cc2ccccc2cc1Oc1ccnc2cc(OCCCl)c(OC)cc12",
"CCCOC(=O)c1cc2ccccc2cc1Oc1ccnc2cc(OCCN3CCOCC3)c(OC)cc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
325 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F][C][=C][Ring1][P]"
],
"smiles": [
"CC(C)(C)c1ccc(O)cc1",
"O=[N+]([O-])c1ccc(F)c(F)c1",
"CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CS(C)=O .",
"role": "assistant"
}
] | |
326 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[O][C][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1]"
],
"smiles": [
"CS(=O)(=O)Cl",
"OCc1ccnc(Cl)c1",
"CS(=O)(=O)OCc1ccnc(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
327 | {
"selfies": [
"[C][N][C][=C][C][Branch2][Ring2][P][N][C][=Branch1][C][=O][C][=Branch1][N][=C][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][#C][=N][Ring2][Ring1][#C]",
"[C][N][C][=C][C][Branch2][Ring2][P][N][C][=Branch1][C][=O][C][=Branch1][N][=C][C][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][#C][=N][Ring2][Ring1][#C]"
],
"smiles": [
"Cn1ccc(NC(=O)C(=CC2CCC(=O)C2)c2ccc(S(=O)(=O)C3CC3)c(C3CC3)c2)n1",
"Cn1ccc(NC(=O)C(=CC2CCC(O)C2)c2ccc(S(=O)(=O)C3CC3)c(C3CC3)c2)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCO.ClC(Cl)Cl .",
"role": "assistant"
}
] | |
328 | {
"selfies": [
"[C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][Branch1][Ring1][C][N][O][Ring1][P][C][=C][Ring2][Ring2][#Branch2][Ring2][Ring1][S]",
"[C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]",
"[C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][O][Ring2][Ring1][N][C][=C][Ring2][Branch1][Branch1][Ring2][Ring2][O]"
],
"smiles": [
"CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CN)O4)cc12",
"COC(=O)N1CCCC1C(=O)O",
"CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CNC(=O)C3CCCN3C(=O)OC)O4)cc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
329 | {
"selfies": [
"[C][C][=C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=C][Branch1][C][N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]",
"[O][=C][Branch1][C][Cl][C][Cl]",
"[C][C][=C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]"
],
"smiles": [
"Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(N)c2c1",
"O=C(Cl)CCl",
"Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NC(=O)CCl)c2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CCOC(C)=O.ClC(Cl)Cl .",
"role": "assistant"
}
] | |
330 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][C][N][C][C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCN(C(=O)OCc2ccccc2)CC1",
"CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCNCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCO .",
"role": "assistant"
}
] | |
331 | {
"selfies": [
"[C][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][Branch1][C][C][C]",
"[C][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][Ring1][=Branch2][Branch1][C][C][C]"
],
"smiles": [
"CC(=Cc1ccc(O)cc1)c1ccc2c(c1)C(C)(C)C(=O)C2(C)C",
"CC(=Cc1ccc(O)cc1)c1ccc2c(c1)C(C)(C)C(O)C2(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
332 | {
"selfies": [
"[N][O]",
"[O][=C][C][=C][Branch1][C][F][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Br]",
"[O][N][=C][C][=C][Branch1][C][F][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Br]"
],
"smiles": [
"NO",
"O=Cc1c(F)cc(Cl)cc1Br",
"ON=Cc1c(F)cc(Cl)cc1Br"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CC(C)O .",
"role": "assistant"
}
] | |
333 | {
"selfies": [
"[C][N][C]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch1]",
"[C][N][Branch1][C][C][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CNC",
"c1ccc(CCCCCc2ccccc2OCC2CO2)cc1",
"CN(C)CC(O)COc1ccccc1CCCCCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
334 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch2][Ring2][C][O][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][S][Ring1][=C][C][Ring2][Ring1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch2][Ring1][Branch1][N][C][C][=C][S][C][Branch1][#Branch2][N][C][C][Branch1][C][O][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)[Si](OC1CN(c2nc(CNC(=O)c3ccco3)cs2)C1)(c1ccccc1)c1ccccc1",
"O=C(NCc1csc(N2CC(O)C2)n1)c1ccco1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
335 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][O][C][C][C][Br][=N][O][Ring1][#Branch2]",
"[O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][O][C][C][C][Br][=N][O][Ring1][#Branch2]"
],
"smiles": [
"COC(=O)c1cc(OCCCBr)no1",
"O=C(O)c1cc(OCCCBr)no1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
336 | {
"selfies": [
"[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1]",
"[C][N][Branch1][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1]"
],
"smiles": [
"CN(C)C(=O)C1CC(F)(F)C1",
"CN(C)CC1CC(F)(F)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
337 | {
"selfies": [
"[N][C][=Branch1][C][=O][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]",
"[N][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": [
"NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1",
"NCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
338 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1]",
"[C][C][S][C][=N][C][=C][C][=C][C][Branch1][C][O][=C][C][Ring1][#Branch1][=N][Ring1][O]",
"[C][C][S][C][=N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(O)CC1",
"CCSc1ncc2ccc(O)cc2n1",
"CCSc1ncc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
339 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[O][=C][Branch1][C][O][C][C][C][C][N][C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"O=C(O)C1CCCNC1",
"CC(C)(C)OC(=O)N1CCCC(C(=O)O)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1COCCO1 .",
"role": "assistant"
}
] | |
340 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][#Branch2][=C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][#Branch2][=C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1]"
],
"smiles": [
"CCOC(=O)C=Cc1ccc(C(=C2CCCCCC2)c2ccc(O)cc2)c(F)c1",
"O=C(O)C=Cc1ccc(C(=C2CCCCCC2)c2ccc(O)cc2)c(F)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1.CCO .",
"role": "assistant"
}
] | |
341 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C]",
"[N][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[C][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]"
],
"smiles": [
"CC(=O)COc1ccc(CC2SC(=O)NC2=O)cc1",
"NCC(O)c1cccc(Cl)c1",
"CC(COc1ccc(CC2SC(=O)NC2=O)cc1)NCC(O)c1cccc(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "c1ccccc1 .",
"role": "assistant"
}
] | |
342 | {
"selfies": [
"[C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][Cl]",
"[C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][N][P][=Branch1][C][=O][O][C][C][O][C][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][Branch1][C][C][Branch1][C][O][C][Ring1][#C][O][Ring2][Ring1][Ring2]",
"[C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring2][Branch1][C][O][C][C][O][P][=Branch1][C][=O][Branch1][=C][N][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][O][C][Ring1][S][C][Ring2][Ring1][Ring1][Branch1][C][C][O][C][=Branch1][C][=O][N][=Ring2][Ring1][N]"
],
"smiles": [
"CCCC(CCC)C(=O)Cl",
"CCOC(=O)C(CC)NP1(=O)OCC2OC(n3ccc(N)nc3=O)C(C)(O)C2O1",
"CCCC(CCC)C(=O)Nc1ccn(C2OC3COP(=O)(NC(CC)C(=O)OCC)OC3C2(C)O)c(=O)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1.CN(C)C=O .",
"role": "assistant"
}
] | |
343 | {
"selfies": [
"[C][O][C][Branch1][Ring1][O][C][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][#C][N][C][C][Branch1][Branch1][C][N][=N+1][=N-1][O][C][Ring1][=Branch2][=O][C][=C][Ring1][S][F][C][C][Ring2][Ring1][=Branch2][F]",
"[C][O][C][Branch1][Ring1][O][C][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=N][N][C][C][Branch1][Ring1][C][N][O][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][F][C][C][Ring2][Ring1][#Branch1][F]"
],
"smiles": [
"COC1(OC)CCN(c2ccc(N3CC(CN=[N+]=[N-])OC3=O)cc2F)CC1F",
"COC1(OC)CCN(c2ccc(N3CC(CN)OC3=O)cc2F)CC1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCOC(C)=O .",
"role": "assistant"
}
] | |
344 | {
"selfies": [
"[C][C][Br]",
"[N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2]",
"[C][C][O][C][=C][C][=C][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Ring1][N][=Ring1][Branch2]"
],
"smiles": [
"CCBr",
"NC(=O)c1cc2c(O)cccc2o1",
"CCOc1cccc2oc(C(N)=O)cc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC(C)=O .",
"role": "assistant"
}
] | |
345 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][=C][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][Branch1][Branch2][C][=N][C][=N][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O]",
"[C][O][C][=C][C][=C][Branch2][=Branch1][=N][C][N][Branch1][Branch2][C][=N][C][=N][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][S][C][Branch1][Ring1][O][C][=C][Ring2][Branch1][C]"
],
"smiles": [
"CC(C)(C)n1ncc(-c2cc(Cl)ccc2O)c1NC(=O)C(F)(F)F",
"COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(F)c(C#N)c2)c(OC)c1",
"COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3-c3cnn(C(C)(C)C)c3NC(=O)C(F)(F)F)c(C#N)c2)c(OC)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CS(C)=O .",
"role": "assistant"
}
] | |
346 | {
"selfies": [
"[C][S][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C]",
"[O][=C][=N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]",
"[C][S][C][=C][C][Branch2][Ring2][=Branch1][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][=N][C][=N][Ring2][Ring1][O]"
],
"smiles": [
"CSc1cc(Oc2ccc(N)cc2)ncn1",
"O=C=Nc1cccc(C(F)(F)F)c1",
"CSc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
347 | {
"selfies": [
"[C][C][C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2]",
"[N][C][C][O]",
"[C][C][C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Branch1][N][C][C][O][=N][Ring1][O]"
],
"smiles": [
"CCCc1nc(Cl)nc(Cl)n1",
"NCCO",
"CCCc1nc(Cl)nc(NCCO)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1COCCO1 .",
"role": "assistant"
}
] | |
348 | {
"selfies": [
"[N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"[N][C][=C][C][=C][Branch1][#Branch2][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][O]"
],
"smiles": [
"NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1",
"Nc1ccc(CS(N)(=O)=O)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCO .",
"role": "assistant"
}
] | |
349 | {
"selfies": [
"[C][C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2][Cl]",
"[C][O][B][Branch1][Ring1][O][C][O][C]",
"[C][C][O][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][C][Branch1][C][F][=C][Ring1][#Branch2][Cl]"
],
"smiles": [
"CCOc1ccc(Br)c(F)c1Cl",
"COB(OC)OC",
"CCOc1ccc(B(O)O)c(F)c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1.CC(=O)O .",
"role": "assistant"
}
] | |
350 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][O][C][Ring1][#C][Branch1][C][C][C]",
"[F][C][Branch1][C][F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl]",
"[C][C][Branch1][C][C][O][B][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][#Branch2][O][C][Ring1][S][Branch1][C][C][C]"
],
"smiles": [
"CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C",
"FC(F)c1ccc(Br)cc1Cl",
"CC1(C)OB(c2ccc(C(F)F)c(Cl)c2)OC1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1COCCO1 .",
"role": "assistant"
}
] | |
351 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Ring1][=N][C][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][#Branch1][C][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][N][Ring2][Ring1][Ring2][C]"
],
"smiles": [
"CCOC(=O)c1nc(-c2ccccc2C)n(C)c1CCC12CC3CC(CC(C3)C1)C2",
"Cc1ccccc1-c1nc(C(=O)O)c(CCC23CC4CC(CC(C4)C2)C3)n1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
352 | {
"selfies": [
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[O][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][O][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]"
],
"smiles": [
"O=S(=O)(Cl)c1ccc(Br)cc1",
"OCCOc1ccc2ccccc2c1",
"O=S(=O)(OCCOc1ccc2ccccc2c1)c1ccc(Br)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl.O .",
"role": "assistant"
}
] | |
353 | {
"selfies": [
"[N][C][C][O]",
"[O][=C][Branch1][C][Cl][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch1][Branch1][N][C][C][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"NCCO",
"O=C(Cl)OCc1ccccc1",
"O=C(NCCO)OCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
354 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][#C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][P][C][Ring2][Ring1][=Branch2]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][O][O][C][C][C][C][C][N][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCCC(COc2cccc(OS(=O)(=O)c3ccccc3Cl)c2)C1",
"O=S(=O)(Oc1cccc(OCC2CCCNC2)c1)c1ccccc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "C1COCCO1 .",
"role": "assistant"
}
] | |
355 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]",
"[C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][P][=O][C][=C][Ring2][Ring1][#C]",
"[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][O][=Branch1][C][=O][=O]"
],
"smiles": [
"CS(=O)(=O)Oc1ccccc1O",
"Cc1ccc(S(=O)(=O)OCCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)cc1",
"CC(C)(C)N1C(=O)C(NCCOc2ccccc2OS(C)(=O)=O)=C(c2ccccc2)S1(=O)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
356 | {
"selfies": [
"[C][N][Branch1][C][C][C][C][N]",
"[C][O][C][=N][C][=C][Branch1][=N][C][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[C][O][C][=N][C][=C][Branch2][Ring1][Ring2][C][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][N][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]"
],
"smiles": [
"CN(C)CCN",
"COc1ncc(Cc2cnc(Cl)nc2)cc1-c1cccc(Cl)c1",
"COc1ncc(Cc2cnc(NCCN(C)C)nc2)cc1-c1cccc(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
357 | {
"selfies": [
"[N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F]",
"[O][=C][C][C][O][C][C][Ring1][=Branch1]",
"[F][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][C][C][O][C][C][Ring1][=Branch1]"
],
"smiles": [
"Nc1ccc(Br)cc1F",
"O=C1CCOCC1",
"Fc1cc(Br)ccc1NC1CCOCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCCl .",
"role": "assistant"
}
] | |
358 | {
"selfies": [
"[Br][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2]",
"[C][O][C][=C][C][=C][C][Branch1][S][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][#C]"
],
"smiles": [
"Brc1ccc(Br)cc1",
"COc1cccc(C=O)c1",
"COc1cccc(C(O)c2ccc(Br)cc2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
359 | {
"selfies": [
"[N][C][C][C][C][O]",
"[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"NCCCCO",
"O=Cc1ccccc1",
"OCCCCNCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCO .",
"role": "assistant"
}
] | |
360 | {
"selfies": [
"[N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch2][Ring1][P][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1",
"O=C(Cl)c1ccccc1-c1ccccc1",
"O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1-c1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1.CCN(CC)CC .",
"role": "assistant"
}
] | |
361 | {
"selfies": [
"[C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1]",
"[C][C][N][Branch1][#Branch2][C][C][C][C][N][C][C][Ring1][=Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1]"
],
"smiles": [
"CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2C1",
"CCN(CC1CCNCC1)C1CCc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
362 | {
"selfies": [
"[Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O]",
"[C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"BrCc1ccccc1",
"COc1cc(C)ccc1O",
"COc1cc(C)ccc1OCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
363 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][NH1][C][=N][C][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[C][O][C][=Branch1][C][=O][C][=C][C][NH1][C][=N][C][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl]"
],
"smiles": [
"COC(=O)c1cc2[nH]cnc2c(F)c1Nc1ccccc1Cl",
"O=C1CCC(=O)N1Br",
"COC(=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
364 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][N]",
"[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1]"
],
"smiles": [
"CC(C)(C)N",
"O=C(O)c1cc2c(s1)CCCC2",
"CC(C)(C)NC(=O)c1cc2c(s1)CCCC2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be ClCCl .",
"role": "assistant"
}
] | |
365 | {
"selfies": [
"[C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][N][C][=C][C][=C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][#C][C][=Branch1][C][=O][O][Ring2][Ring1][Branch1]",
"[N][C][C][C][Ring1][Ring1]",
"[C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][C][O][Branch1][Branch2][C][N][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][Branch1][C][F][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][Ring2][Ring1][=Branch2]"
],
"smiles": [
"CC(=O)NCC1CN(c2ccc(N3CCC4(CC3)CO4)c(F)c2)C(=O)O1",
"NC1CC1",
"CC(=O)NCC1CN(c2ccc(N3CCC(O)(CNC4CC4)CC3)c(F)c2)C(=O)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
366 | {
"selfies": [
"[C][=C][C][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Branch1]",
"[C][=C][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring2]"
],
"smiles": [
"C=CCOc1cc(C(=O)OC)cc(-c2nc(-c3ccccn3)no2)c1",
"C=CCOc1cc(C(=O)O)cc(-c2nc(-c3ccccn3)no2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CO .",
"role": "assistant"
}
] | |
367 | {
"selfies": [
"[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][Branch2][Ring2][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][=C][Ring2][Ring2][C][Cl]",
"[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][Branch2][Ring1][N][C][=C][C][=C][N][=C][Branch1][O][N][C][C][C][C][C][C][Ring1][=Branch1][N][N][=C][C][Ring1][=C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][O][Cl]"
],
"smiles": [
"COc1cc(OC)c(Cl)c(-c2ccc3nc(NC4CCCCC4NC(=O)OC(C)(C)C)ncc3c2)c1Cl",
"COc1cc(OC)c(Cl)c(-c2ccc3nc(NC4CCCCC4N)ncc3c2)c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
368 | {
"selfies": [
"[C][C][Branch1][C][N][C][O]",
"[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][Ring1][C][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(N)CO",
"O=Cc1ccccc1",
"CC(CO)NCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "c1ccccc1 .",
"role": "assistant"
}
] | |
369 | {
"selfies": [
"[C][O][C][=C][C][Branch1][C][Br][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][C][=O][=C][Ring1][O]",
"[C][O][C][=C][C][Branch1][C][Br][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][C][O][=C][Ring1][O]"
],
"smiles": [
"COc1cc(Br)c(OC)c(C=O)c1",
"COc1cc(Br)c(OC)c(CO)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
370 | {
"selfies": [
"[C][N][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=N][Ring1][#C][C][C][Ring2][Ring1][Branch1]",
"[C][=C][C][=C][Branch2][Ring1][C][C][=N][S][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P]",
"[C][N][C][C][N][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][S][Ring1][O][C][C][Ring1][P][C][=N][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][S]"
],
"smiles": [
"CN1CCN(c2ccc(NC(=O)OCC(Cl)(Cl)Cl)cn2)CC1",
"c1ccc(-c2nsc(N3CCNCC3)n2)cc1",
"CN1CCN(c2ccc(NC(=O)N3CCN(c4nc(-c5ccccc5)ns4)CC3)cn2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CS(C)=O .",
"role": "assistant"
}
] | |
371 | {
"selfies": [
"[Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][C][=C][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1]",
"[Br][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][=C]"
],
"smiles": [
"BrCc1ccccc1",
"Oc1ccc(Br)nc1",
"Brc1ccc(OCc2ccccc2)cn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CN(C)C=O .",
"role": "assistant"
}
] | |
372 | {
"selfies": [
"[C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][Ring1][O][C][=C][Ring1][O][C][C][Ring1][P]",
"[C][C][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][C][N][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][C][Ring1][#C]"
],
"smiles": [
"CCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1",
"CCN1CCN(c2ccc(N)c(OC)c2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
373 | {
"selfies": [
"[C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch2][O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][N][=N][Ring1][=C][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch2]",
"[O][=S][=Branch1][C][=O][Branch2][Ring1][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][C][C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C][F][N][=N][Ring2][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][#C]"
],
"smiles": [
"CC1(C)CC(Oc2ccc(-c3ccc(O)cc3F)nn2)CC(C)(C)N1",
"O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F",
"CC1(C)CC(Oc2ccc(-c3ccc(OS(=O)(=O)C(F)(F)F)cc3F)nn2)CC(C)(C)N1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
374 | {
"selfies": [
"[C][C][=Branch1][C][=O][Cl]",
"[C][S][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][O][Cl]",
"[C][S][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][O][C][Branch1][C][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][O][Cl]"
],
"smiles": [
"CC(=O)Cl",
"CSCC(C)C(=O)N(CCO)c1cn(-c2cccnc2)nc1Cl",
"CSCC(C)C(=O)N(CCOC(C)=O)c1cn(-c2cccnc2)nc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
375 | {
"selfies": [
"[C][O][C][Branch1][C][C][C][=Branch1][C][=O][O]",
"[N][C][=C][NH1][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][=C][Ring1][O]",
"[C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][=C][Ring1][O]"
],
"smiles": [
"COC(C)C(=O)O",
"Nc1c[nH]c2ncc(C(F)(F)F)c(Cl)c12",
"COC(C)C(=O)Nc1c[nH]c2ncc(C(F)(F)F)c(Cl)c12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
376 | {
"selfies": [
"[C][C][Branch1][C][C][C][Br]",
"[O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]"
],
"smiles": [
"CC(C)CBr",
"Oc1cccc(O)c1",
"CC(C)COc1cccc(O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOC(C)=O .",
"role": "assistant"
}
] | |
377 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][=C][NH1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][N][Ring1][=Branch2]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][NH1][C][=C][Branch1][Branch1][C][C][C][O][C][Ring1][=Branch2][=C][Ring1][=N]"
],
"smiles": [
"CCOC(=O)CCc1c[nH]c2ccc([N+](=O)[O-])cc12",
"O=[N+]([O-])c1ccc2[nH]cc(CCCO)c2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
378 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][=C][N]",
"[C][O][C][=C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][=C][Ring1][N][O][C]",
"[C][O][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch2][Ring2][#Branch1][N][C][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=N][Ring1][#C][C][C][Ring2][Ring1][Branch1][N][=C][Ring2][Ring1][=N][N]"
],
"smiles": [
"COC(=O)c1nc(Cl)c(NC2CCNCC2)nc1N",
"COc1cc2nc(Cl)nc(N)c2cc1OC",
"COC(=O)c1nc(Cl)c(NC2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)nc1N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CC(C)CCO .",
"role": "assistant"
}
] | |
379 | {
"selfies": [
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][C][Ring1][=C]"
],
"smiles": [
"CC(=O)Nc1cccc2ccc(O)cc12",
"O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F",
"CC(=O)Nc1cccc2ccc(OS(=O)(=O)C(F)(F)F)cc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
380 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][P]"
],
"smiles": [
"COC(=O)c1cc(Cl)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1",
"CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)O)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
381 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring2][Branch1][N][N][=C][Branch2][Ring1][Branch2][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][C][=C][C][=C][C][=Ring1][#C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Branch1][=O][C][C][C][C][Ring2][Ring1][N]",
"[C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring2][Branch1][N][N][=C][Branch2][Ring1][Branch2][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][C][=C][C][=C][C][=Ring1][#C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Branch1][=O][C][C][C][C][Ring2][Ring1][N]"
],
"smiles": [
"CCOC(=O)CN(C)C(=O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1",
"CN(CC(=O)O)C(=O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "C1COCCO1.O .",
"role": "assistant"
}
] | |
382 | {
"selfies": [
"[C][C][C][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][Ring1][O]",
"[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][Cl][=C][Ring1][=C][C][Branch1][Ring1][C][#N][=C][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][F]",
"[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][Cl][=C][Ring1][=C][C][Branch1][Ring1][C][#N][=C][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][N][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][O]"
],
"smiles": [
"C1CCN(C2CCNCC2)C1",
"COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1F",
"COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1N1CCC(N2CCCC2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CN1CCCC1=O .",
"role": "assistant"
}
] | |
383 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=Branch1][N][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=C][=Branch1][C][=O][=O]",
"[C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=O]"
],
"smiles": [
"CCOC(=O)c1cc(C)c2c(c1C(F)(F)F)C(=O)C(C)(C)CS2(=O)=O",
"Cc1cc(C(=O)O)c(C(F)(F)F)c2c1S(=O)(=O)CC(C)(C)C2=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CCO.O .",
"role": "assistant"
}
] | |
384 | {
"selfies": [
"[N]",
"[O][=C][Branch1][C][O][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[N][C][=Branch1][C][=O][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"N",
"O=C(O)CCCCCCN1C(=O)CCCC1C=CC(O)Cc1ccccc1",
"NC(=O)CCCCCCN1C(=O)CCCC1C=CC(O)Cc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CCOC(C)=O.ClCCl .",
"role": "assistant"
}
] | |
385 | {
"selfies": [
"[C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][Ring1][O][=C][Ring1][P]",
"[N][#C][C][=C][C][=C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][C][Ring1][N][=C][Ring1][S]"
],
"smiles": [
"COc1cccc(-c2cc3cc(C#N)ccc3o2)c1",
"N#Cc1ccc2oc(-c3cccc(O)c3)cc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be Cl.O .",
"role": "assistant"
}
] | |
386 | {
"selfies": [
"[C][N][Branch2][Ring2][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][N][Branch2][Ring2][Branch1][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CN(CC1CC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2O1)C(=O)OC(C)(C)C",
"CN(CC1CC(O)c2ccc(S(=O)(=O)c3ccccc3)cc2O1)C(=O)OC(C)(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
387 | {
"selfies": [
"[N][#C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]",
"[N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]",
"[N][#C][C][=N][C][Branch1][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1]"
],
"smiles": [
"N#Cc1nc(Cl)ccc1[N+](=O)[O-]",
"Nc1cc(F)cc(F)c1",
"N#Cc1nc(Nc2cc(F)cc(F)c2)ccc1[N+](=O)[O-]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "Cc1ccccc1 .",
"role": "assistant"
}
] | |
388 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][O]",
"[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=O]"
],
"smiles": [
"COC(=O)CCCCCCCCO",
"COC(=O)CCCCCCCC=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
389 | {
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2]",
"[C][O][C][O][C][=C][C][Branch1][C][Br][=C][C][Branch1][Ring1][C][=O][=C][Ring1][=Branch2]"
],
"smiles": [
"CN(C)C=O",
"COCOc1cc(Br)cc(Br)c1",
"COCOc1cc(Br)cc(C=O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOCC .",
"role": "assistant"
}
] | |
390 | {
"selfies": [
"[C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][Ring1][=N]",
"[C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][N][=C][Ring1][Branch2][Ring1][O]"
],
"smiles": [
"CC(=O)N1CCc2cc(Br)cc([N+](=O)[O-])c21",
"CC(=O)N1CCc2cc(Br)cc(N)c21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
391 | {
"selfies": [
"[C][=C][Branch1][C][C][C][=Branch1][C][=O][O]",
"[N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]",
"[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]"
],
"smiles": [
"C=C(C)C(=O)O",
"Nc1ccc(S(N)(=O)=O)cc1",
"C=C(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CC#N.O .",
"role": "assistant"
}
] | |
392 | {
"selfies": [
"[C][=C][C][C][C][C][C][C][C][C][C][O]",
"[O][=S][Branch1][C][Cl][Cl]",
"[C][=C][C][C][C][C][C][C][C][C][C][Cl]"
],
"smiles": [
"C=CCCCCCCCCCO",
"O=S(Cl)Cl",
"C=CCCCCCCCCCCl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
393 | {
"selfies": [
"[C][I]",
"[C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][Ring1][O][=O][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring1][Cl]",
"[C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][C][C][C][Ring1][N][=O][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring2][Cl]"
],
"smiles": [
"CI",
"COC(=O)COc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl",
"COC(=O)COc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
394 | {
"selfies": [
"[C][O][C][C][=N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][N][Ring1][=N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][P]",
"[C][O][C][C][=N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N][Ring1][N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][P]"
],
"smiles": [
"COCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1",
"COCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CO.O .",
"role": "assistant"
}
] | |
395 | {
"selfies": [
"[C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][F]",
"[C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][F]"
],
"smiles": [
"CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1F",
"CC(=O)Nc1cc(N)c(Cl)cc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)O.CCOC(C)=O .",
"role": "assistant"
}
] | |
396 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1]",
"[C][O][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][N]"
],
"smiles": [
"COC(=O)c1n[nH]cc1[N+](=O)[O-]",
"COC(=O)c1n[nH]cc1N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CCO.CN(C)C=O .",
"role": "assistant"
}
] | |
397 | {
"selfies": [
"[C][O][C][=C][C][Branch1][S][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch2][=C][C][=C][Ring1][#C][N]",
"[O][=C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1]",
"[C][O][C][=C][C][Branch1][S][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch2][=C][C][=C][Ring1][#C][N][C][=N][C][=C][C][Branch2][Ring2][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring1][P][N][=C][C][=C][C][=C][N][Ring2][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][S]"
],
"smiles": [
"COc1cc(N2CCC(N(C)C)CC2)ccc1N",
"O=C(Nc1c(F)cccc1F)c1cccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)c1",
"COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CC(C)O.ClCCl .",
"role": "assistant"
}
] | |
398 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"Cc1ccc([N+](=O)[O-])cc1NC(=O)C(F)(F)F",
"Cc1ccc(N)cc1NC(=O)C(F)(F)F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCOC(C)=O .",
"role": "assistant"
}
] | |
399 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][O]",
"[C][O][C][=C][C][Branch2][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][C][Branch1][#Branch2][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][O][Branch1][C][C][C]"
],
"smiles": [
"COC(=O)C(C)c1ccc(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1",
"COc1cc(C#Cc2ccc(C(C)C(=O)O)cc2)cc2c1C(N(C)C1CC1)CCC2(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1CCOC1.CO .",
"role": "assistant"
}
] |
Subsets and Splits