molecules
dict | messages
listlengths 3
3
|
|---|---|
{
"smiles": [
"C=C(CCCC(C)(C)O)c1ccc(C(=O)O)cc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "C=C(CCCC(C)(C)O)c1ccc(C(=O)O)cc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O.[Br-]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O.[Br-]",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CO",
"role": "assistant"
}
] |
{
"smiles": [
"CC1(C)CCCC2(C)C1CC(O)C(C)(O)C2CO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC1(C)CCCC2(C)C1CC(O)C(C)(O)C2CO",
"role": "assistant"
}
] |
{
"smiles": [
"NC(=O)CCC(NC(=O)C(N)CO)C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "NC(=O)CCC(NC(=O)C(N)CO)C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1c(O)cc(C2Oc3c(c(O)cc(O)c3C3c4c(O)cc(O)cc4OC(c4cc(O)c(O)c(O)c4)C3O)CC2O)cc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1c(O)cc(C2Oc3c(c(O)cc(O)c3C3c4c(O)cc(O)cc4OC(c4cc(O)c(O)c(O)c4)C3O)CC2O)cc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2OC1CN(C)Cc1ccc(Oc2ccccc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC1CN(C(C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2OC1CN(C)Cc1ccc(Oc2ccccc2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC(=O)CCCC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCCCCC(=O)CCCC",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)C(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1C=C(C2OC3OC(O)C4=CC(OC(C)=O)C5C(C)(C)CCCC5(C)C43O2)C(O)(C=O)C2(C)CCCC(C)(C)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=O)OC1C=C(C2OC3OC(O)C4=CC(OC(C)=O)C5C(C)(C)CCCC5(C)C43O2)C(O)(C=O)C2(C)CCCC(C)(C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C(=O)OCC2(O)COC(OC3C(Oc4ccc(O)c(C(=O)O)c4)OCC(O)C3O)C2O)ccc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1cc(C(=O)OCC2(O)COC(OC3C(Oc4ccc(O)c(C(=O)O)c4)OCC(O)C3O)C2O)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(=O)Oc1c(OC(=O)Cc2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCCC(=O)Oc1c(OC(=O)Cc2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CN(C(=O)CC)C(C)CO2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CN(C(=O)CC)C(C)CO2",
"role": "assistant"
}
] |
{
"smiles": [
"O=S(=O)([O-])OOS(=O)(=O)[O-].[NH4+].[NH4+]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "O=S(=O)([O-])OOS(=O)(=O)[O-].[NH4+].[NH4+]",
"role": "assistant"
}
] |
{
"smiles": [
"CCC1OC(CC)(CC)OC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CCC1OC(CC)(CC)OC1C",
"role": "assistant"
}
] |
{
"smiles": [
"Cn1nnnc1SCC(=O)c1ccco1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Cn1nnnc1SCC(=O)c1ccco1",
"role": "assistant"
}
] |
{
"smiles": [
"[Li].[Si]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "[Li].[Si]",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4=CC(C)(C)CCC4(C)CCC23C)C1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4=CC(C)(C)CCC4(C)CCC23C)C1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"COC(C)(C)c1ccc(C)c2ccc(C=O)c-2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COC(C)(C)c1ccc(C)c2ccc(C=O)c-2c1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)CI"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "O=C(O)CI",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCC=CCC(O)C(Cl)C=CC(O)CC=CCCCC(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CCC=CCC=CCC(O)C(Cl)C=CC(O)CC=CCCCC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)C=CC(O)=CC(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "O=C(O)C=CC(O)=CC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(c2c(O)cc(C=Cc3ccc(O)cc3O)cc2OC2OC(C(=O)O)C(O)C(O)C2O)C(C(=O)O)C(c2ccc(O)cc2O)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC1=CC(c2c(O)cc(C=Cc3ccc(O)cc3O)cc2OC2OC(C(=O)O)C(O)C(O)C2O)C(C(=O)O)C(c2ccc(O)cc2O)C1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1OCC(Cc2ccc(O)c(O)c2)C1c1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "O=C1OCC(Cc2ccc(O)c(O)c2)C1c1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"O=[V]O[V]=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "O=[V]O[V]=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCOC1OC(=O)CC12CCC1(O2)C(C)CC(OC(C)=O)C2C(C)(C)CCCC21C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CCCCOC1OC(=O)CC12CCC1(O2)C(C)CC(OC(C)=O)C2C(C)(C)CCCC21C",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1ccc(C(=O)c2cn(CCCC(O)CF)c3ccccc23)c2ccccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "Cc1ccc(C(=O)c2cn(CCCC(O)CF)c3ccccc23)c2ccccc12",
"role": "assistant"
}
] |
{
"smiles": [
"CCC1(O)Cc2cc3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCC1(O)Cc2cc3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(CCC2c3cc(OC)c(O)cc3CCN2C)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1ccc(CCC2c3cc(OC)c(O)cc3CCN2C)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CCC1OC2CC3C4CCC5CCCCC5(C)C4CCC3(C)C2C1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(C)CCC1OC2CC3C4CCC5CCCCC5(C)C4CCC3(C)C2C1C",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCC2CCC(C)(O)C(CCC(C)=CCC1)C2(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC1=CCC2CCC(C)(O)C(CCC(C)=CCC1)C2(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(CC(=O)CC(C)(C)O)C1C(=O)CC2(C)C3CCC4=C(CC3=CCC12C)C(O)CC(OC1OCC(O)C(O)C1O)C4(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(CC(=O)CC(C)(C)O)C1C(=O)CC2(C)C3CCC4=C(CC3=CCC12C)C(O)CC(OC1OCC(O)C(O)C1O)C4(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"C#CC=CCCCCCCCCCCCCCCC=CCCCC=CC(O)CCCCC#CC(O)C#CCCCCCCC=CC(O)C#C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "C#CC=CCCCCCCCCCCCCCCC=CCCCC=CC(O)CCCCC#CC(O)C#CCCCCCCC=CC(O)C#C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)(C)C12C3(C(C)(C)C)C1(C(C)(C)C)C23C(C)(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(C)(C)C12C3(C(C)(C)C)C1(C(C)(C)C)C23C(C)(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)(O)C1CCC(C)(C2CCC(C)(C3CCC(C4(C)CCC(C5(C)CCC(C(C)(C)O)O5)O4)O3)O2)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(C)(O)C1CCC(C)(C2CCC(C)(C3CCC(C4(C)CCC(C5(C)CCC(C(C)(C)O)O5)O4)O3)O2)O1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C([O-])CC(=O)OCC1OC(Oc2cc(=O)cc3oc(-c4ccc(O)cc4)c(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)cc2-3)C(O)C(O)C1OC(=O)CC(=O)[O-]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "O=C([O-])CC(=O)OCC1OC(Oc2cc(=O)cc3oc(-c4ccc(O)cc4)c(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)cc2-3)C(O)C(O)C1OC(=O)CC(=O)[O-]",
"role": "assistant"
}
] |
{
"smiles": [
"NC(=O)c1ccc(Sc2nnc(-c3cccs3)n2CC2CCCO2)c([N+](=O)[O-])c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "NC(=O)c1ccc(Sc2nnc(-c3cccs3)n2CC2CCCO2)c([N+](=O)[O-])c1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(C)CC(C)OC(=O)CC(c2ccc(O)cc2)NC(=O)C(Cc2ccc(O)c(Br)c2)N(C)C(=O)C(C)NC(=O)C(C)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC1=CC(C)CC(C)OC(=O)CC(c2ccc(O)cc2)NC(=O)C(Cc2ccc(O)c(Br)c2)N(C)C(=O)C(C)NC(=O)C(C)C1",
"role": "assistant"
}
] |
{
"smiles": [
"CS(=O)CC(C)(O)C1OC(=O)C=C2C3(C)CC=CC4(C)C(=O)OC(C43)C3OC231"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CS(=O)CC(C)(O)C1OC(=O)C=C2C3(C)CC=CC4(C)C(=O)OC(C43)C3OC231",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(O)OC(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(=O)NC1C(O)OC(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(OCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)([O-])[O-])C(O)CC1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC1OC(OCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)([O-])[O-])C(O)CC1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2C1C(OC(=O)C(=CCOC(C)=O)CO)CC1(C)C(O)CCC(C=O)C21"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "C=C1C(=O)OC2C1C(OC(=O)C(=CCOC(C)=O)CO)CC1(C)C(O)CCC(C=O)C21",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2C=C(C)C(O)CC=C(C)CC(OC(=O)C(=CCO)COC(C)=O)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=C1C(=O)OC2C=C(C)C(O)CC=C(C)CC(OC(=O)C(=CCO)COC(C)=O)C12",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)c1ccc(-c2ccc(C=NNC(=O)CC3(C)OCCCO3)o2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "COC(=O)c1ccc(-c2ccc(C=NNC(=O)CC3(C)OCCCO3)o2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(N)C(=O)NC(C)C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(N)C(=O)NC(C)C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)OC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)OC1C",
"role": "assistant"
}
] |
{
"smiles": [
"CC1(OC(=O)C=Cc2ccccc2)CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC1(OC(=O)C=Cc2ccccc2)CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)C2(C(=O)N1OC)C(C=CC)C=CC(O)C2O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C1C(=O)C2(C(=O)N1OC)C(C=CC)C=CC(O)C2O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cnc2ccccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cnc2ccccc2c1",
"role": "assistant"
}
] |
{
"smiles": [
"CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CN(C(C)=O)C(C)CO2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CN(C(C)=O)C(C)CO2",
"role": "assistant"
}
] |
{
"smiles": [
"CNC(=O)c1nc(C2CSC(C3(C)CSC(C4(C)CSC(C5(C)CSC(C(C)C)=N5)=N4)=N3)=N2)oc1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CNC(=O)c1nc(C2CSC(C3(C)CSC(C4(C)CSC(C5(C)CSC(C(C)C)=N5)=N4)=N3)=N2)oc1C",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc2c(cc1O)C(Cc1ccc(OC)c(OC)c1)N(C)CC2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1cc2c(cc1O)C(Cc1ccc(OC)c(OC)c1)N(C)CC2",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(OC(CO)C(O)c6ccc(O)c(OC)c6)c(OC)c5)OCC34)cc2OC)ccc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(OC(CO)C(O)c6ccc(O)c(OC)c6)c(OC)c5)OCC34)cc2OC)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"[Be+2].[Be+2].[F-].[F-].[OH-]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "[Be+2].[Be+2].[F-].[F-].[OH-]",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)NCCO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)NCCO",
"role": "assistant"
}
] |
{
"smiles": [
"C=CCC=CCC=CCCCCCCCc1c(O)c(OC)cc(OCC)c1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=CCC=CCC=CCCCCCCCc1c(O)c(OC)cc(OCC)c1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1c2cc3c(c4c2C(C(=O)C(=O)OC)(CO4)C(=CC(=O)OC)CC(C)C1C)OCO3"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC=C(C)C(=O)OC1c2cc3c(c4c2C(C(=O)C(=O)OC)(CO4)C(=CC(=O)OC)CC(C)C1C)OCO3",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CCOC(=O)C(Br)=CBr"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CCOC(=O)C(Br)=CBr",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CCCC1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CCCC1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"[C-]#[N+]C12C3OC3C(C)(C)c3[nH]c4cccc5c4c3C1(O)C(CC(Cl)C2(C)C=C)C5(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "[C-]#[N+]C12C3OC3C(C)(C)c3[nH]c4cccc5c4c3C1(O)C(CC(Cl)C2(C)C=C)C5(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C1C=C(C(C)C)CCC(C)=CCCC(C)CC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=C(C)C1C=C(C(C)C)CCC(C)=CCCC(C)CC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CNC1(CC(C)C)OC(=O)C(O)(Cc2ccccc2)NC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CNC1(CC(C)C)OC(=O)C(O)(Cc2ccccc2)NC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CC=C2CCN3CCc4ccc(O)cc4C23C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COC1CC=C2CCN3CCc4ccc(O)cc4C23C1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C(CC)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC(=O)CCCCCCCC=CCC=CCCCCC)CCC45CC35CCC12C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "C=C(C)C(CC)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC(=O)CCCCCCCC=CCC=CCCCCC)CCC45CC35CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1C=CC(=CC(O)COC(=O)c2ccccc2)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "O=C1C=CC(=CC(O)COC(=O)c2ccccc2)O1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2C=C(CO)CCC=C(C=O)CC(O)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "C=C1C(=O)OC2C=C(CO)CCC=C(C=O)CC(O)C12",
"role": "assistant"
}
] |
{
"smiles": [
"CCOc1ccc(C=O)cc1OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCOc1ccc(C=O)cc1OC",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C(=O)OCC(C)CC)C(C)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "C=C(C(=O)OCC(C)CC)C(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC2C=CCC(C)C(O)C(C)C=CC(=O)OC23C(=O)NC(Cc2ccccc2)C3C1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1=CC2C=CCC(C)C(O)C(C)C=CC(=O)OC23C(=O)NC(Cc2ccccc2)C3C1C",
"role": "assistant"
}
] |
{
"smiles": [
"C[N+]1(CC2CC2)CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5.[Br-]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "C[N+]1(CC2CC2)CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5.[Br-]",
"role": "assistant"
}
] |
{
"smiles": [
"CC12OC(=O)C(O)C1(O)C1(C)C(CC2=O)OC2CC3(C)C(c4ccoc4)CC4OC43C(C)(O)C21"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC12OC(=O)C(O)C1(O)C1(C)C(CC2=O)OC2CC3(C)C(c4ccoc4)CC4OC43C(C)(O)C21",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCCC2=CCCC(C)(O)C(C=C(C(C)C)CC1)OC2=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC1=CCCC2=CCCC(C)(O)C(C=C(C(C)C)CC1)OC2=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1NC(C(=O)O)Cc2c1[nH]c1ccc(O)cc21"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1NC(C(=O)O)Cc2c1[nH]c1ccc(O)cc21",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C(O)COc1c2ccoc2cc2oc(=O)ccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)C(O)COc1c2ccoc2cc2oc(=O)ccc12",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)CCCn2cc(nn2)COC1CN(C)C(=O)OCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC1CN(C(C)CO)C(=O)CCCn2cc(nn2)COC1CN(C)C(=O)OCc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C(O)Cc1c(O)c(C(=O)C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "C=C(C)C(O)Cc1c(O)c(C(=O)C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CC(=O)OC1OC=C(COC(=O)C(OC(=O)CC(C)C)C(C)C)C2(O)CC(O)C3(CO3)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(C)CC(=O)OC1OC=C(COC(=O)C(OC(=O)CC(C)C)C(C)C)C2(O)CC(O)C3(CO3)C12",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1ccc(-n2cc(CNCCn3nc(C)cc3C)c(-c3ccc(F)cc3)n2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "Cc1ccc(-n2cc(CNCCn3nc(C)cc3C)c(-c3ccc(F)cc3)n2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CCC2(C)C3=CCC4C5C(C(C)C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=O)OC1CCC2(C)C3=CCC4C5C(C(C)C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)N1c2c(O)cccc2C23CCN4CCCC5(CCC12)CC(=O)OC453"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(=O)N1c2c(O)cccc2C23CCN4CCCC5(CCC12)CC(=O)OC453",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1noc(C)c1NC(=O)N(C)CC1Oc2ccc(N(C)C)cc2CC(=O)N(C(C)CO)CC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Cc1noc(C)c1NC(=O)N(C)CC1Oc2ccc(N(C)C)cc2CC(=O)N(C(C)CO)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCSS(C)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCSS(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)c1cc2c(cc1O)CC1(O)CCCC(C)(C)C1CC2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(C)c1cc2c(cc1O)CC1(O)CCCC(C)(C)C1CC2",
"role": "assistant"
}
] |
{
"smiles": [
"Nc1ccc(C(=O)Nc2cc(=O)[nH]c(=O)[nH]2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "Nc1ccc(C(=O)Nc2cc(=O)[nH]c(=O)[nH]2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCC=CCC=CCC=CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CCC=CCC=CCC=CCC=CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C1OCC(C2)C1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C1OCC(C2)C1C",
"role": "assistant"
}
] |
{
"smiles": [
"OCC1SCC(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "OCC1SCC(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(O)CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C3CCC21C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(O)CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C3CCC21C",
"role": "assistant"
}
] |
{
"smiles": [
"CN(C)C(=O)CC1CCC(NS(=O)(=O)c2ccccc2)C(CO)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CN(C)C(=O)CC1CCC(NS(=O)(=O)c2ccccc2)C(CO)O1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(OCCCCCCCCCCCCCCC=CC(=O)O)C(O)CC1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1OC(OCCCCCCCCCCCCCCC=CC(=O)O)C(O)CC1O",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CCC2(C)C3CCC4C(=CCC5C(C)(C=O)C(O)CCC45C)CC3(C)CCC2C1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "COC1CCC2(C)C3CCC4C(=CCC5C(C)(C=O)C(O)CCC45C)CC3(C)CCC2C1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=CCCC1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1)CC(=O)CC(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(=CCCC1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1)CC(=O)CC(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)CCC(F)(F)F)ccc2OC1CN(C)Cc1ccc2c(c1)OCO2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)CCC(F)(F)F)ccc2OC1CN(C)Cc1ccc2c(c1)OCO2",
"role": "assistant"
}
] |
{
"smiles": [
"COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C",
"role": "assistant"
}
] |
{
"smiles": [
"O=c1cc(O)cc(C=Cc2ccc(O)cc2)o1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "O=c1cc(O)cc(C=Cc2ccc(O)cc2)o1",
"role": "assistant"
}
] |