id
int64 0
1.55k
| molecules
dict | ground_truth
stringlengths 10
167
| messages
listlengths 3
3
|
|---|---|---|---|
100 | {
"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]",
"[N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"Nc1ccc(I)cc1",
"C1CCOC1"
]
} | CC(C)(C)OC(=O)Nc1ccc(I)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)Nc1ccc(I)cc1",
"role": "assistant"
}
] |
101 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1ccc(C#N)cc1C",
"C1CCOC1",
"O",
"O",
"[Li+]",
"[OH-]"
]
} | Cc1cc(C#N)ccc1C(=O)O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "Cc1cc(C#N)ccc1C(=O)O",
"role": "assistant"
}
] |
102 | {
"selfies": [
"[C][C][C][C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][C][C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C][C][=C][Ring1][P]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][C][O-1][O-1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Mg+2]"
],
"smiles": [
"CCCCCCCCc1ccc(CCC(NC(C)=O)C(=O)OC)cc1",
"C1CCOC1",
"O=S(=O)([O-])[O-]",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Mg+2]"
]
} | CCCCCCCCc1ccc(CCC(CO)NC(C)=O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CCCCCCCCc1ccc(CCC(CO)NC(C)=O)cc1",
"role": "assistant"
}
] |
103 | {
"selfies": [
"[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C][C]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)Oc1cccc(Br)c1",
"CN(C)C=O",
"C1CCOC1",
"CCCCCC",
"[Li]CCCC"
]
} | CC(C)Oc1cccc(C=O)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CC(C)Oc1cccc(C=O)c1",
"role": "assistant"
}
] |
104 | {
"selfies": [
"[C][C][C][C][C][C][C][C][N]",
"[O][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CCCCCCCCN",
"O=C=Nc1ccccc1",
"C1CCOC1"
]
} | CCCCCCCCNC(=O)Nc1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CCCCCCCCNC(=O)Nc1ccccc1",
"role": "assistant"
}
] |
105 | {
"selfies": [
"[Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"BrCc1ccccc1",
"CC(C)(O)C(=O)O",
"C1CCOC1",
"[H-]",
"[Na+]"
]
} | CC(C)(O)C(=O)OCc1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CC(C)(O)C(=O)OCc1ccccc1",
"role": "assistant"
}
] |
106 | {
"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]",
"[N][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl][C][Cl]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"NCC(O)c1cccc(Cl)c1",
"C1CCOC1",
"ClCCl"
]
} | CC(C)(C)OC(=O)NCC(O)c1cccc(Cl)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)NCC(O)c1cccc(Cl)c1",
"role": "assistant"
}
] |
107 | {
"selfies": [
"[C][O][B][Branch1][Ring1][O][C][O][C]",
"[O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Li][C][C][C][C]"
],
"smiles": [
"COB(OC)OC",
"Oc1ccc(Br)cc1O",
"C1CCOC1",
"Cl",
"[Li]CCCC"
]
} | OB(O)c1ccc(O)c(O)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "OB(O)c1ccc(O)c(O)c1",
"role": "assistant"
}
] |
108 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][O][S][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][S]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cc(SC(=O)N(C)C)cc(C(=O)OC)c1",
"C1CCOC1",
"[Na+]",
"[OH-]"
]
} | COC(=O)c1cc(SC(=O)N(C)C)cc(C(=O)O)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COC(=O)c1cc(SC(=O)N(C)C)cc(C(=O)O)c1",
"role": "assistant"
}
] |
109 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cc(Br)ccc1C=O",
"C1CCOC1",
"Cl",
"O",
"[Li+]",
"[OH-]"
]
} | O=Cc1ccc(Br)cc1C(=O)O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "O=Cc1ccc(Br)cc1C(=O)O",
"role": "assistant"
}
] |
110 | {
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li][C][C][C][C]"
],
"smiles": [
"CN(C)C=O",
"Cc1ccc(C(=O)O)cc1Br",
"C1CCOC1",
"[Li]CCCC"
]
} | Cc1ccc(C(=O)O)cc1C=O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "Cc1ccc(C(=O)O)cc1C=O",
"role": "assistant"
}
] |
111 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][I][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1ccc(OC)c(I)c1",
"C1CCOC1",
"CO",
"Cl",
"O",
"O",
"[Li+]",
"[OH-]"
]
} | COc1ccc(C(=O)O)cc1I | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COc1ccc(C(=O)O)cc1I",
"role": "assistant"
}
] |
112 | {
"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]",
"[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"NCc1ccccc1N",
"C1CCOC1"
]
} | CC(C)(C)OC(=O)NCc1ccccc1N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)NCc1ccccc1N",
"role": "assistant"
}
] |
113 | {
"selfies": [
"[C][N][Branch1][Ring2][C][C][=O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][O][C][C][N][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][=Branch1][C][=O][O]",
"[C][C][=Branch1][C][=O][O][BH1-1][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Na+1]"
],
"smiles": [
"CN(CC=O)C(=O)OCc1ccccc1",
"COCCNCCOCCOCCOCCOCCOCCOCCOC",
"C1CCOC1",
"CC(=O)O",
"CC(=O)O[BH-](OC(C)=O)OC(C)=O",
"CCOC(C)=O",
"[Na+]"
]
} | COCCOCCOCCOCCOCCOCCOCCN(CCOC)CCN(C)C(=O)OCc1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COCCOCCOCCOCCOCCOCCOCCN(CCOC)CCN(C)C(=O)OCc1ccccc1",
"role": "assistant"
}
] |
114 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"COC(=O)c1ccc(CCCCO[Si](C)(C)C(C)(C)C)cc1",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | CC(C)(C)[Si](C)(C)OCCCCc1ccc(CO)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CC(C)(C)[Si](C)(C)OCCCCc1ccc(CO)cc1",
"role": "assistant"
}
] |
115 | {
"selfies": [
"[N][#C][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Pd]"
],
"smiles": [
"N#Cc1ccc(N)c([N+](=O)[O-])c1",
"C1CCOC1",
"CO",
"[Pd]"
]
} | N#Cc1ccc(N)c(N)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "N#Cc1ccc(N)c(N)c1",
"role": "assistant"
}
] |
116 | {
"selfies": [
"[C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][Ring2][Ring1][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"CCCN(C)C(=O)c1cc(C(=O)OCC)cc(C(=O)N(C)CCC)c1",
"C1CCOC1",
"O",
"[Li+]",
"[OH-]"
]
} | CCCN(C)C(=O)c1cc(C(=O)O)cc(C(=O)N(C)CCC)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CCCN(C)C(=O)c1cc(C(=O)O)cc(C(=O)N(C)CCC)c1",
"role": "assistant"
}
] |
117 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Mg]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"COc1ccc(Br)cc1F",
"C1CCOC1",
"Cl",
"[Mg]"
]
} | COc1ccc(B(O)O)cc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "COc1ccc(B(O)O)cc1F",
"role": "assistant"
}
] |
118 | {
"selfies": [
"[O][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"O=Cc1cc(C(F)(F)F)ccc1Br",
"C1CCOC1",
"[BH4-]",
"[Na+]"
]
} | OCc1cc(C(F)(F)F)ccc1Br | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "OCc1cc(C(F)(F)F)ccc1Br",
"role": "assistant"
}
] |
119 | {
"selfies": [
"[C][O][C][=C][Branch1][Branch2][C][Branch1][C][C][N][=N+1][=N-1][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][=N][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][P][Branch1][C][C][C]",
"[O]"
],
"smiles": [
"COc1c(C(C)N=[N+]=[N-])cc(Cl)c(F)c1Br",
"C1CCOC1",
"CCOC(C)=O",
"CP(C)C",
"O"
]
} | COc1c(C(C)N)cc(Cl)c(F)c1Br | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "COc1c(C(C)N)cc(Cl)c(F)c1Br",
"role": "assistant"
}
] |
120 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl]",
"[BH4-1]",
"[Li+1]"
],
"smiles": [
"COC(=O)c1ccc(C#N)c(OC)c1",
"C1CCOC1",
"CCOC(C)=O",
"Cl",
"[BH4-]",
"[Li+]"
]
} | COc1cc(CO)ccc1C#N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "COc1cc(CO)ccc1C#N",
"role": "assistant"
}
] |
121 | {
"selfies": [
"[C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CC(=O)OCCCCCCCCCCCCc1ccc(I)cc1",
"C1CCOC1",
"CO",
"O",
"[Na+]",
"[OH-]"
]
} | OCCCCCCCCCCCCc1ccc(I)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "OCCCCCCCCCCCCc1ccc(I)cc1",
"role": "assistant"
}
] |
122 | {
"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]",
"[N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][C]",
"[O][=C][Branch1][C][O-1][O-1]",
"[O][=C][=O]",
"[Na+1]",
"[Na+1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"Nc1ccc(O)cc1C(=O)O",
"C1CCOC1",
"CCOCC",
"O=C([O-])[O-]",
"O=C=O",
"[Na+]",
"[Na+]"
]
} | CC(C)(C)OC(=O)Nc1ccc(O)cc1C(=O)O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)Nc1ccc(O)cc1C(=O)O",
"role": "assistant"
}
] |
123 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][=Branch1][C][=O][O]",
"[C][C][O][C][Branch1][C][C][=O]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)C(C)c1ccc(C#N)c(Cl)c1",
"C1CCOC1",
"CC(=O)O",
"CCOC(C)=O",
"O",
"[Na+]",
"[OH-]"
]
} | CC(C(=O)O)c1ccc(C#N)c(Cl)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "CC(C(=O)O)c1ccc(C#N)c(Cl)c1",
"role": "assistant"
}
] |
124 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]",
"[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]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)CCNCc1cccc(C#N)c1",
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"C1CCOC1"
]
} | CC(C)(C)OC(=O)CCN(Cc1cccc(C#N)c1)C(=O)OC(C)(C)C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)CCN(Cc1cccc(C#N)c1)C(=O)OC(C)(C)C",
"role": "assistant"
}
] |
125 | {
"selfies": [
"[N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]",
"[O][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Nc1ccc(F)cc1C(=O)O",
"O=C(OC(=O)C(F)(F)F)C(F)(F)F",
"C1CCOC1"
]
} | O=C(O)c1cc(F)ccc1NC(=O)C(F)(F)F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "O=C(O)c1cc(F)ccc1NC(=O)C(F)(F)F",
"role": "assistant"
}
] |
126 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][Branch2][C][C][C][C][N][=N+1][=N-1][C][=C][Ring1][=N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"COc1ccc(CCCCN=[N+]=[N-])cc1",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | COc1ccc(CCCCN)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "COc1ccc(CCCCN)cc1",
"role": "assistant"
}
] |
127 | {
"selfies": [
"[N][C][C][C][C][C][O][Ring1][Branch1]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][Ring1][O][Cl]",
"[C][C][N][Branch1][Ring1][C][C][C][C]"
],
"smiles": [
"NCC1CCCO1",
"O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Cl)c1Cl",
"CCN(CC)CC"
]
} | O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1Cl | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1Cl",
"role": "assistant"
}
] |
128 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][N][C][O]",
"[C][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[O]"
],
"smiles": [
"CC(C)(N)CO",
"COc1ccc(S(=O)(=O)Cl)cc1",
"C1CCOC1",
"CCN(CC)CC",
"O"
]
} | COc1ccc(S(=O)(=O)NC(C)(C)CO)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "COc1ccc(S(=O)(=O)NC(C)(C)CO)cc1",
"role": "assistant"
}
] |
129 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O]",
"[Cl]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCOC(=O)C(C)(C)Oc1cc([N+](=O)[O-])ccc1Br",
"C1CCOC1",
"CCO",
"Cl",
"[Na+]",
"[OH-]"
]
} | CC(C)(Oc1cc([N+](=O)[O-])ccc1Br)C(=O)O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "CC(C)(Oc1cc([N+](=O)[O-])ccc1Br)C(=O)O",
"role": "assistant"
}
] |
130 | {
"selfies": [
"[C][C][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][F][C][=C][Ring1][Branch2][F]",
"[C][O][B][Branch1][Ring1][O][C][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li][C][C][C][C]"
],
"smiles": [
"CCOc1cc(Br)c(F)cc1F",
"COB(OC)OC",
"C1CCOC1",
"[Li]CCCC"
]
} | CCOc1cc(B(O)O)c(F)cc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CCOc1cc(B(O)O)c(F)cc1F",
"role": "assistant"
}
] |
131 | {
"selfies": [
"[C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Ring1][Branch2][C][#N]",
"[N][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[Cl]",
"[Cl]",
"[Cl][C][Branch1][C][Cl][Cl]"
],
"smiles": [
"Cc1c(C#N)cccc1C#N",
"NO",
"C1CCOC1",
"CCN(CC)CC",
"Cl",
"Cl",
"ClC(Cl)Cl"
]
} | Cc1c(C#N)cccc1C(=N)NO | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "Cc1c(C#N)cccc1C(=N)NO",
"role": "assistant"
}
] |
132 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][=C][Ring1][N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cc(Cl)c(C(=O)OC)c(Cl)c1",
"C1CCOC1",
"O",
"[Na+]",
"[OH-]"
]
} | COC(=O)c1c(Cl)cc(C(=O)O)cc1Cl | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "COC(=O)c1c(Cl)cc(C(=O)O)cc1Cl",
"role": "assistant"
}
] |
133 | {
"selfies": [
"[C][N][C][C][O]",
"[O][=C][Branch1][C][Cl][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O][=C][Branch1][C][O-1][O-1]",
"[Na+1]",
"[Na+1]"
],
"smiles": [
"CNCCO",
"O=C(Cl)OCc1ccccc1",
"C1CCOC1",
"O=C([O-])[O-]",
"[Na+]",
"[Na+]"
]
} | CN(CCO)C(=O)OCc1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CN(CCO)C(=O)OCc1ccccc1",
"role": "assistant"
}
] |
134 | {
"selfies": [
"[C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][=N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCCN(C)C(=O)c1cc(CO)cc(C(=O)OCC)c1",
"C1CCOC1",
"[Na+]",
"[OH-]"
]
} | CCCN(C)C(=O)c1cc(CO)cc(C(=O)O)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CCCN(C)C(=O)c1cc(CO)cc(C(=O)O)c1",
"role": "assistant"
}
] |
135 | {
"selfies": [
"[C][Si][Branch1][C][C][Branch1][C][C][C][#C][C][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]",
"[F-1]"
],
"smiles": [
"C[Si](C)(C)C#CCCC#Cc1ccc(F)cc1",
"C1CCOC1",
"CCCC[N+](CCCC)(CCCC)CCCC",
"[F-]"
]
} | C#CCCC#Cc1ccc(F)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "C#CCCC#Cc1ccc(F)cc1",
"role": "assistant"
}
] |
136 | {
"selfies": [
"[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl][C][Cl]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CC(C)NC(=O)c1cc(F)ccc1F",
"C1CCOC1",
"CO",
"ClCCl",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | CC(C)NCc1cc(F)ccc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CC(C)NCc1cc(F)ccc1F",
"role": "assistant"
}
] |
137 | {
"selfies": [
"[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O]",
"[C][C][O][C][Branch1][Ring2][O][C][C][O][C][C]",
"[O][=S][=Branch1][C][=O][Branch1][C][O][O]"
],
"smiles": [
"Cc1cc(Cl)ccc1C(=O)O",
"C1CCOC1",
"CCO",
"CCOC(OCC)OCC",
"O=S(=O)(O)O"
]
} | Cc1cc(Cl)ccc1CO | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "Cc1cc(Cl)ccc1CO",
"role": "assistant"
}
] |
138 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][O]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl-1]",
"[H-1]",
"[NH4+1]",
"[Na+1]"
],
"smiles": [
"CC(C)(C)OC(=O)NCCCO",
"O=[N+]([O-])c1ccc(F)cc1",
"C1CCOC1",
"[Cl-]",
"[H-]",
"[NH4+]",
"[Na+]"
]
} | CC(C)(C)OC(=O)NCCCOc1ccc([N+](=O)[O-])cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)NCCCOc1ccc([N+](=O)[O-])cc1",
"role": "assistant"
}
] |
139 | {
"selfies": [
"[C][=C][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][C][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Al+3]",
"[Cl-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[NH4+1]"
],
"smiles": [
"C=CCOc1ccc(C=O)c(C)c1",
"C1CCOC1",
"Cl",
"[Al+3]",
"[Cl-]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[NH4+]"
]
} | C=CCOc1ccc(CO)c(C)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "C=CCOc1ccc(CO)c(C)c1",
"role": "assistant"
}
] |
140 | {
"selfies": [
"[C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[B]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][S][C]",
"[Cl]"
],
"smiles": [
"CCCCCCCNC(=O)Cc1ccccc1",
"B",
"C1CCOC1",
"CSC",
"Cl"
]
} | CCCCCCCNCCc1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CCCCCCCNCCc1ccccc1",
"role": "assistant"
}
] |
141 | {
"selfies": [
"[C][O][B][Branch1][Ring1][O][C][O][C]",
"[C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl-1]",
"[Li][C][C][C][C]",
"[NH4+1]"
],
"smiles": [
"COB(OC)OC",
"COc1ccc(F)cc1Br",
"C1CCOC1",
"[Cl-]",
"[Li]CCCC",
"[NH4+]"
]
} | COc1ccc(F)cc1B(O)O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "COc1ccc(F)cc1B(O)O",
"role": "assistant"
}
] |
142 | {
"selfies": [
"[C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Pd]"
],
"smiles": [
"CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]",
"C1CCOC1",
"[Pd]"
]
} | CNc1c(N)cccc1N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CNc1c(N)cccc1N",
"role": "assistant"
}
] |
143 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][C][Al+1][C][C][Branch1][C][C][C]",
"[H-1]"
],
"smiles": [
"COC(=O)c1ccc(Br)c(F)c1",
"C1CCOC1",
"CC(C)C[Al+]CC(C)C",
"[H-]"
]
} | OCc1ccc(Br)c(F)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "OCc1ccc(Br)c(F)c1",
"role": "assistant"
}
] |
144 | {
"selfies": [
"[C][C][=Branch1][C][=O][Cl]",
"[N][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]"
],
"smiles": [
"CC(=O)Cl",
"NCCCc1ccc(F)cc1",
"C1CCOC1",
"CCN(CC)CC"
]
} | CC(=O)NCCCc1ccc(F)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)NCCCc1ccc(F)cc1",
"role": "assistant"
}
] |
145 | {
"selfies": [
"[C][C][Branch1][C][C][=O]",
"[C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)=O",
"Cc1ccc(Br)cc1C(F)(F)F",
"C1CCOC1",
"[Li]CCCC"
]
} | Cc1ccc(C(C)(C)O)cc1C(F)(F)F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "Cc1ccc(C(C)(C)O)cc1C(F)(F)F",
"role": "assistant"
}
] |
146 | {
"selfies": [
"[N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]",
"[B]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][S][C]"
],
"smiles": [
"NC(=O)Cc1ccc(OC(F)(F)F)cc1",
"B",
"C1CCOC1",
"CSC"
]
} | NCCc1ccc(OC(F)(F)F)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "NCCc1ccc(OC(F)(F)F)cc1",
"role": "assistant"
}
] |
147 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][N]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl]"
],
"smiles": [
"CCOC(=O)CCN",
"O=[N+]([O-])c1cccc([N+](=O)[O-])c1Cl",
"C1CCOC1",
"CCN(CC)CC",
"CCOC(C)=O",
"Cl"
]
} | CCOC(=O)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CCOC(=O)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]",
"role": "assistant"
}
] |
148 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"COc1ccc(OC)c(C#N)c1",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | COc1ccc(OC)c(CN)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "COc1ccc(OC)c(CN)c1",
"role": "assistant"
}
] |
149 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CC(C)(C#N)c1ccc(F)cc1",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
} | CC(C)(CN)c1ccc(F)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CC(C)(CN)c1ccc(F)cc1",
"role": "assistant"
}
] |
150 | {
"selfies": [
"[N][#C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"N#Cc1cc(Cl)ccc1N",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | NCc1cc(Cl)ccc1N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "NCc1cc(Cl)ccc1N",
"role": "assistant"
}
] |
151 | {
"selfies": [
"[C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][Br]",
"[B]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][S][C]",
"[O]"
],
"smiles": [
"COc1cc(C(=O)O)cc(OC)c1Br",
"B",
"C1CCOC1",
"CSC",
"O"
]
} | COc1cc(CO)cc(OC)c1Br | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COc1cc(CO)cc(OC)c1Br",
"role": "assistant"
}
] |
152 | {
"selfies": [
"[C][O][C][C][O][C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][O]",
"[Cl]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COCCOCOc1ccc(C(=O)OC)cc1",
"C1CCOC1",
"CCOC(C)=O",
"CO",
"Cl",
"O",
"[Na+]",
"[OH-]"
]
} | COCCOCOc1ccc(C(=O)O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "COCCOCOc1ccc(C(=O)O)cc1",
"role": "assistant"
}
] |
153 | {
"selfies": [
"[C][C][C][C][=C][C][=C][Branch1][=C][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][O-1][C][=C][Ring1][=N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CCCc1ccc(CC(F)(F)C(=O)[O-])cc1",
"C1CCOC1",
"CCOC(C)=O",
"Cl",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | CCCc1ccc(CC(F)(F)CO)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CCCc1ccc(CC(F)(F)CO)cc1",
"role": "assistant"
}
] |
154 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]",
"[C][SiH1][Branch1][C][C][O][SiH1][Branch1][C][C][C]",
"[F-1]"
],
"smiles": [
"COC(=O)CCc1ccccc1",
"C1CCOC1",
"CCCC[N+](CCCC)(CCCC)CCCC",
"C[SiH](C)O[SiH](C)C",
"[F-]"
]
} | OCCCc1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "OCCCc1ccccc1",
"role": "assistant"
}
] |
155 | {
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][N][C][Branch1][C][C][C]",
"[Li][C][C][C][C]"
],
"smiles": [
"CN(C)C=O",
"COc1cc(F)ccc1Br",
"C1CCOC1",
"CC(C)NC(C)C",
"[Li]CCCC"
]
} | COc1c(Br)ccc(F)c1C=O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1c(Br)ccc(F)c1C=O",
"role": "assistant"
}
] |
156 | {
"selfies": [
"[C][O][C][=C][C][Branch1][C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]",
"[I-1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[O][=C][Branch1][C][O-1][O-1]",
"[O][=N][O-1]",
"[K+1]",
"[Na+1]",
"[Na+1]",
"[Na+1]"
],
"smiles": [
"COc1cc(N)cc(C(F)(F)F)c1",
"[I-]",
"C1CCOC1",
"Cl",
"O=C([O-])[O-]",
"O=N[O-]",
"[K+]",
"[Na+]",
"[Na+]",
"[Na+]"
]
} | COc1cc(I)cc(C(F)(F)F)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1cc(I)cc(C(F)(F)F)c1",
"role": "assistant"
}
] |
157 | {
"selfies": [
"[O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][C]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"O=C(O)CCc1ccc(F)cc1",
"C1CCOC1",
"CCOCC",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | OCCCc1ccc(F)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "OCCCc1ccc(F)cc1",
"role": "assistant"
}
] |
158 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O]",
"[O]",
"[Li][O]"
],
"smiles": [
"CCOC(=O)C(C)(C)Oc1cccc([N+](=O)[O-])c1",
"C1CCOC1",
"CO",
"O",
"O",
"[Li]O"
]
} | CC(C)(Oc1cccc([N+](=O)[O-])c1)C(=O)O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "CC(C)(Oc1cccc([N+](=O)[O-])c1)C(=O)O",
"role": "assistant"
}
] |
159 | {
"selfies": [
"[I][I]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl-1]",
"[Li+1]"
],
"smiles": [
"II",
"O=[N+]([O-])c1ccc(F)cc1F",
"C1CCOC1",
"[Cl-]",
"[Li+]"
]
} | O=[N+]([O-])c1ccc(F)c(I)c1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "O=[N+]([O-])c1ccc(F)c(I)c1F",
"role": "assistant"
}
] |
160 | {
"selfies": [
"[C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]"
],
"smiles": [
"CC(CO)NC(=O)OCc1ccccc1",
"CS(=O)(=O)Cl",
"C1CCOC1",
"CCN(CC)CC"
]
} | CC(COS(C)(=O)=O)NC(=O)OCc1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CC(COS(C)(=O)=O)NC(=O)OCc1ccccc1",
"role": "assistant"
}
] |
161 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][I]",
"[C][C][C][O][C][Ring1][Branch1]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"CC(C)(C)OC(=O)NC(CCO)c1ccc(Cl)cc1",
"CI",
"C1CCOC1",
"[H-]",
"[Na+]"
]
} | COCCC(NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COCCC(NC(=O)OC(C)(C)C)c1ccc(Cl)cc1",
"role": "assistant"
}
] |
162 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][Br][=C][Branch1][C][F][C][=C][Ring1][Branch2][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O]",
"[O]",
"[Cl-1]",
"[Fe]",
"[NH4+1]"
],
"smiles": [
"O=[N+]([O-])c1cc(Br)c(F)cc1F",
"C1CCOC1",
"CCO",
"O",
"[Cl-]",
"[Fe]",
"[NH4+]"
]
} | Nc1cc(Br)c(F)cc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "Nc1cc(Br)c(F)cc1F",
"role": "assistant"
}
] |
163 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C][=Branch1][C][=O][O]",
"[N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][Cl]",
"[C][C][Branch1][C][C][O]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)(C)OC(=O)NC(Cc1ccc(OC(=O)OC(C)(C)C)cc1)C(=O)O",
"N",
"C1CCOC1",
"CC(C)COC(=O)Cl",
"CC(C)O",
"CCN(C(C)C)C(C)C"
]
} | CC(C)(C)OC(=O)NC(Cc1ccc(OC(=O)OC(C)(C)C)cc1)C(N)=O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)NC(Cc1ccc(OC(=O)OC(C)(C)C)cc1)C(N)=O",
"role": "assistant"
}
] |
164 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][Branch1][C][C][N][C][Branch1][C][C][=O][C][=C][Ring1][N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1ccc(C(C)NC(C)=O)cc1",
"C1CCOC1",
"CO",
"O",
"O",
"[Li+]",
"[OH-]"
]
} | CC(=O)NC(C)c1ccc(C(=O)O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)NC(C)c1ccc(C(=O)O)cc1",
"role": "assistant"
}
] |
165 | {
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"O=C(O)c1ccc(Cl)cc1O",
"C1CCOC1"
]
} | OCc1ccc(Cl)cc1O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "OCc1ccc(Cl)cc1O",
"role": "assistant"
}
] |
166 | {
"selfies": [
"[N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][F]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Nc1cc(C(=O)O)ccc1F",
"C1CCOC1"
]
} | Nc1cc(CO)ccc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Nc1cc(CO)ccc1F",
"role": "assistant"
}
] |
167 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]",
"[C][SiH1][Branch1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C]",
"[F-1]"
],
"smiles": [
"COc1ccc(C=O)cc1",
"C1CCOC1",
"CCCC[N+](CCCC)(CCCC)CCCC",
"C[SiH](C)O[Si](C)(C)C",
"[F-]"
]
} | COc1ccc(CO)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1ccc(CO)cc1",
"role": "assistant"
}
] |
168 | {
"selfies": [
"[C][#C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"C#CCC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)OC",
"C1CCOC1",
"[Li+]",
"[OH-]"
]
} | C#CCC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "C#CCC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)O",
"role": "assistant"
}
] |
169 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C]",
"[O]",
"[Li][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)(C)OC(=O)C(C)(C)Cc1ccc(Br)cc1",
"CN(C)C=O",
"C1CCOC1",
"CCCCC",
"O",
"[Li]C(C)(C)C"
]
} | CC(C)(C)OC(=O)C(C)(C)Cc1ccc(C=O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)C(C)(C)Cc1ccc(C=O)cc1",
"role": "assistant"
}
] |
170 | {
"selfies": [
"[N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O]",
"[O]",
"[Cl-1]",
"[Fe]",
"[NH4+1]"
],
"smiles": [
"Nc1ccc(Br)c(F)c1[N+](=O)[O-]",
"C1CCOC1",
"CCO",
"O",
"[Cl-]",
"[Fe]",
"[NH4+]"
]
} | Nc1ccc(Br)c(F)c1N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Nc1ccc(Br)c(F)c1N",
"role": "assistant"
}
] |
171 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CC(C)(C#N)c1ccccc1",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
} | CC(C)(CN)c1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(CN)c1ccccc1",
"role": "assistant"
}
] |
172 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][Branch1][O][C][C][#N][C][=C][Ring1][#Branch2][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl][C][Cl]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"COc1ccc(OCC#N)cc1OC",
"C1CCOC1",
"CO",
"ClCCl",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | COc1ccc(OCCN)cc1OC | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1ccc(OCCN)cc1OC",
"role": "assistant"
}
] |
173 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][O][C][O][P][=Branch1][C][=O][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cccc(COP(=O)(OC(C)(C)C)OC(C)(C)C)c1",
"C1CCOC1",
"CO",
"O",
"[Li+]",
"[OH-]"
]
} | CC(C)(C)OP(=O)(OCc1cccc(C(=O)O)c1)OC(C)(C)C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CC(C)(C)OP(=O)(OCc1cccc(C(=O)O)c1)OC(C)(C)C",
"role": "assistant"
}
] |
174 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][O][C][C][#N][C][=C][Ring1][O][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"COc1ccc(C(O)CC#N)cc1OC",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
} | COc1ccc(C(O)CCN)cc1OC | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "COc1ccc(C(O)CCN)cc1OC",
"role": "assistant"
}
] |
175 | {
"selfies": [
"[C][C][O]",
"[O][=C][Branch1][C][Cl][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]"
],
"smiles": [
"CCO",
"O=C(Cl)c1cc(C(F)(F)F)ccc1F",
"C1CCOC1",
"CCN(CC)CC"
]
} | CCOC(=O)c1cc(C(F)(F)F)ccc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CCOC(=O)c1cc(C(F)(F)F)ccc1F",
"role": "assistant"
}
] |
176 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O]",
"[O]",
"[O][=P][Branch1][C][O][Branch1][C][O][O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCOC(=O)CNc1ccc(OC)cc1",
"C1CCOC1",
"CCO",
"O",
"O=P(O)(O)O",
"[Na+]",
"[OH-]"
]
} | COc1ccc(NCC(=O)O)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1ccc(NCC(=O)O)cc1",
"role": "assistant"
}
] |
177 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][=C][Ring1][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1ccc(C(=O)OC)c(Cl)c1",
"C1CCOC1",
"CO",
"Cl",
"O",
"O",
"[Li+]",
"[OH-]"
]
} | COC(=O)c1ccc(C(=O)O)cc1Cl | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COC(=O)c1ccc(C(=O)O)cc1Cl",
"role": "assistant"
}
] |
178 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C]",
"[Cl]",
"[Li][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"Cc1cccc(Br)c1C",
"C1CCOC1",
"CCCCC",
"Cl",
"[Li]C(C)(C)C"
]
} | Cc1cccc(B(O)O)c1C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Cc1cccc(B(O)O)c1C",
"role": "assistant"
}
] |
179 | {
"selfies": [
"[N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[O][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]"
],
"smiles": [
"Nc1ccc(Cl)cc1",
"O=C(OC(=O)C(F)(F)F)C(F)(F)F",
"C1CCOC1",
"CCN(CC)CC"
]
} | O=C(Nc1ccc(Cl)cc1)C(F)(F)F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "O=C(Nc1ccc(Cl)cc1)C(F)(F)F",
"role": "assistant"
}
] |
180 | {
"selfies": [
"[F][C][=C][C][=C][C][Branch1][Ring1][C][Br][=C][Ring1][Branch2]",
"[O][C][C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"Fc1cccc(CBr)c1",
"OCCO",
"C1CCOC1",
"CCOC(C)=O",
"O",
"[H-]",
"[Na+]"
]
} | OCCOCc1cccc(F)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "OCCOCc1cccc(F)c1",
"role": "assistant"
}
] |
181 | {
"selfies": [
"[C][O][C][=C][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O][C][O]",
"[O][=C][Branch1][C][Cl][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[O]"
],
"smiles": [
"COc1c(N)cc(C(C)(C)C)cc1CO",
"O=C(Cl)OCC(Cl)(Cl)Cl",
"C1CCOC1",
"CCN(C(C)C)C(C)C",
"O"
]
} | COc1c(CO)cc(C(C)(C)C)cc1NC(=O)OCC(Cl)(Cl)Cl | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "COc1c(CO)cc(C(C)(C)C)cc1NC(=O)OCC(Cl)(Cl)Cl",
"role": "assistant"
}
] |
182 | {
"selfies": [
"[C][O][C][=C][Branch1][C][F][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][=Branch2][F]",
"[Br][B][Branch1][C][Br][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl][C][Cl]",
"[O]"
],
"smiles": [
"COc1c(F)ccc(C=O)c1F",
"BrB(Br)Br",
"C1CCOC1",
"ClCCl",
"O"
]
} | O=Cc1ccc(F)c(O)c1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "O=Cc1ccc(F)c(O)c1F",
"role": "assistant"
}
] |
183 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][P][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)C(Cc1ccc(O)c(OC)c1)OC",
"C1CCOC1",
"[Li+]",
"[OH-]"
]
} | COc1cc(CC(OC)C(=O)O)ccc1O | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1cc(CC(OC)C(=O)O)ccc1O",
"role": "assistant"
}
] |
184 | {
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][N][C][Branch1][C][C][C]"
],
"smiles": [
"CN(C)C=O",
"COc1ccc(Br)cc1F",
"C1CCOC1",
"CC(C)NC(C)C"
]
} | COc1ccc(Br)c(C=O)c1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "COc1ccc(Br)c(C=O)c1F",
"role": "assistant"
}
] |
185 | {
"selfies": [
"[C][C][Branch1][C][C][C][=Branch1][C][=O][Cl]",
"[N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]"
],
"smiles": [
"CC(C)C(=O)Cl",
"Nc1ccccc1",
"C1CCOC1",
"CCN(CC)CC"
]
} | CC(C)C(=O)Nc1ccccc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)C(=O)Nc1ccccc1",
"role": "assistant"
}
] |
186 | {
"selfies": [
"[C][N][C]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[Cl]",
"[Cl][C][Cl]",
"[O]"
],
"smiles": [
"CNC",
"O=S(=O)(Cl)c1ccc(F)c(Cl)c1",
"C1CCOC1",
"CCN(C(C)C)C(C)C",
"Cl",
"ClCCl",
"O"
]
} | CN(C)S(=O)(=O)c1ccc(F)c(Cl)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "CN(C)S(=O)(=O)c1ccc(F)c(Cl)c1",
"role": "assistant"
}
] |
187 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][C][O][C][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C][C]",
"[Cl]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"CCOCCOc1cc(C)c(Br)c(C)c1",
"C1CCOC1",
"CCCCCC",
"Cl",
"[Li]CCCC"
]
} | CCOCCOc1cc(C)c(B(O)O)c(C)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CCOCCOc1cc(C)c(B(O)O)c(C)c1",
"role": "assistant"
}
] |
188 | {
"selfies": [
"[C][C][Branch1][C][C][=C][C][Br]",
"[O][C][=C][C][=C][C][=C][Ring1][=Branch1][I]",
"[C][C][C][O][C][Ring1][Branch1]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"CC(C)=CCBr",
"Oc1ccccc1I",
"C1CCOC1",
"[H-]",
"[Na+]"
]
} | CC(C)=CCOc1ccccc1I | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "CC(C)=CCOc1ccccc1I",
"role": "assistant"
}
] |
189 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][#C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][N][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1ccc(C#CC(C)(C)C)cc1Cl",
"C1CCOC1",
"CO",
"[Na+]",
"[OH-]"
]
} | CC(C)(C)C#Cc1ccc(C(=O)O)c(Cl)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "CC(C)(C)C#Cc1ccc(C(=O)O)c(Cl)c1",
"role": "assistant"
}
] |
190 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1ccccc1C(F)F",
"C1CCOC1",
"CCOC(C)=O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
} | OCc1ccccc1C(F)F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "OCc1ccccc1C(F)F",
"role": "assistant"
}
] |
191 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch1][C][Branch1][C][O][C][#N][=C][Ring1][N]",
"[B]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]"
],
"smiles": [
"COc1ccc(OC)c(C(O)C#N)c1",
"B",
"C1CCOC1",
"Cl"
]
} | COc1ccc(OC)c(C(O)CN)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COc1ccc(OC)c(C(O)CN)c1",
"role": "assistant"
}
] |
192 | {
"selfies": [
"[N][#C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl][C][Cl]",
"[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"N#CCc1ccc(Cl)c(Cl)c1",
"C1CCOC1",
"ClCCl",
"O=C(O)C(F)(F)F",
"[BH4-]",
"[Na+]"
]
} | NCCc1ccc(Cl)c(Cl)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "NCCc1ccc(Cl)c(Cl)c1",
"role": "assistant"
}
] |
193 | {
"selfies": [
"[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"NS(=O)(=O)c1cccc(C(=O)O)c1",
"C1CCOC1"
]
} | NS(=O)(=O)c1cccc(CO)c1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "NS(=O)(=O)c1cccc(CO)c1",
"role": "assistant"
}
] |
194 | {
"selfies": [
"[C][N][C]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][Br][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]"
],
"smiles": [
"CNC",
"O=[N+]([O-])c1ccc(F)c(CBr)c1",
"C1CCOC1",
"CCN(C(C)C)C(C)C",
"CCOC(C)=O"
]
} | CN(C)Cc1cc([N+](=O)[O-])ccc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CN(C)Cc1cc([N+](=O)[O-])ccc1F",
"role": "assistant"
}
] |
195 | {
"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]",
"[C][C][=C][C][Branch1][C][N][=C][Branch1][C][C][C][=C][Ring1][Branch2][N]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"Cc1cc(N)c(C)cc1N",
"C1CCOC1"
]
} | Cc1cc(NC(=O)OC(C)(C)C)c(C)cc1N | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "Cc1cc(NC(=O)OC(C)(C)C)c(C)cc1N",
"role": "assistant"
}
] |
196 | {
"selfies": [
"[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][F]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F",
"C1CCOC1"
]
} | NS(=O)(=O)c1cc(CO)c(Cl)cc1F | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "NS(=O)(=O)c1cc(CO)c(Cl)cc1F",
"role": "assistant"
}
] |
197 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=C][Ring1][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[O][=S][Branch1][C][Cl][Cl]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"Cc1ccc(CCC(N)=O)cc1C",
"C1CCOC1",
"O",
"O=S(Cl)Cl",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
} | Cc1ccc(CCCN)cc1C | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "Cc1ccc(CCCN)cc1C",
"role": "assistant"
}
] |
198 | {
"selfies": [
"[Br][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][N][C][Branch1][C][C][C]",
"[O][=S][=Branch1][C][=O][Branch1][C][O][O]",
"[Li][C][C][C][C]"
],
"smiles": [
"Brc1cccc(Br)c1",
"CN(C)C=O",
"C1CCOC1",
"CC(C)NC(C)C",
"O=S(=O)(O)O",
"[Li]CCCC"
]
} | O=Cc1c(Br)cccc1Br | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "O=Cc1c(Br)cccc1Br",
"role": "assistant"
}
] |
199 | {
"selfies": [
"[O][=C][Branch1][C][O][C][O][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[B]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][S][C]"
],
"smiles": [
"O=C(O)COCCc1ccc(Br)cc1",
"B",
"C1CCOC1",
"CSC"
]
} | OCCOCCc1ccc(Br)cc1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "OCCOCCc1ccc(Br)cc1",
"role": "assistant"
}
] |