molecules
dict | messages
listlengths 3
3
|
|---|---|
{
"smiles": [
"CCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN"
]
} | [
{
"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": "CCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCC=CCC(O)C=CC(O)C1CC1C1CC=CCC(=O)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CCC=CCC=CCC(O)C=CC(O)C1CC1C1CC=CCC(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(-c2cc3c(OC4OC(CO)C(O)C(O)C4O)c(-c4cc(OC)c(O)c(OC)c4)oc4cc(=[OH+])cc(o2)c43)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1cc(-c2cc3c(OC4OC(CO)C(O)C(O)C4O)c(-c4cc(OC)c(O)c(OC)c4)oc4cc(=[OH+])cc(o2)c43)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)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": "CCC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=C1CCC2(C)C(OC3OC(CO)C(O)C(O)C3O)CCC(C)(O)C2C1"
]
} | [
{
"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)=C1CCC2(C)C(OC3OC(CO)C(O)C(O)C3O)CCC(C)(O)C2C1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccccc1C=CCN1CCCC(CO)(Cc2cccc(Cl)c2)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1ccccc1C=CCN1CCCC(CO)(Cc2cccc(Cl)c2)C1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(CO)C(=O)OC1CC(C)=CCCC(CO)=CC2OC(=O)C(=C)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=C(CO)C(=O)OC1CC(C)=CCCC(CO)=CC2OC(=O)C(=C)C21",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(=O)Nc1ccc2c(c1)OCC(C)N(S(=O)(=O)c1cn(C)cn1)CC(C)C(OC)CN(C)C2=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": "CCCC(=O)Nc1ccc2c(c1)OCC(C)N(S(=O)(=O)c1cn(C)cn1)CC(C)C(OC)CN(C)C2=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1CC2(C)OC(=CC2=O)C(C)=CC2OC(=O)C(C)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": "CC=C(C)C(=O)OC1CC2(C)OC(=CC2=O)C(C)=CC2OC(=O)C(C)C21",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCC=CCC=CCC=CCC=CCCCCC"
]
} | [
{
"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": "CCC=CCC=CCC=CCC=CCC=CCCCCC",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC(C(=O)O)=CCCC(C)(O)C=CC1C(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)OC1CC(C(=O)O)=CCCC(C)(O)C=CC1C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C=CC(C)C1CCC2C3CC(=O)C4(O)CC(O)CC(O)C4(C)C3CCC12C)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=C(C=CC(C)C1CCC2C3CC(=O)C4(O)CC(O)CC(O)C4(C)C3CCC12C)C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)CCCC#CC#CCCCCCCCCCCCCCc1ccco1"
]
} | [
{
"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": "O=C(O)CCCC#CC#CCCCCCCCCCCCCCc1ccco1",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CC=CCCC=CCCCCCC=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. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCC=CC=CCCC=CCCCCCC=O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C2CC3C4N5C6CC3(C1O)C(C2O)C41CCCC(C)(C5O)C61"
]
} | [
{
"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": "C=C1C2CC3C4N5C6CC3(C1O)C(C2O)C41CCCC(C)(C5O)C61",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)CCCCCCCCC(O)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "O=C(O)CCCCCCCCC(O)CCCCC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"O=c1cc(-c2ccc(Oc3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)cc2)oc2cc(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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "O=c1cc(-c2ccc(Oc3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)cc2)oc2cc(O)cc(O)c12",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(O)Cc1cc(OC)c(O)c(OC)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCC(O)Cc1cc(OC)c(O)c(OC)c1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C=Cc2ccc3c(c2)C=CC(C)(C)O3)cc(OC)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1cc(C=Cc2ccc3c(c2)C=CC(C)(C)O3)cc(OC)c1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(CCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "COc1ccc(CCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)cc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC1CC=CC(O)CCCC(=O)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": "CCCC1CC=CC(O)CCCC(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C"
]
} | [
{
"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)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CCCCCCCCCC(=O)N(C)C(CO)C(=O)NC(C)C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O"
]
} | [
{
"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)CCCCCCCCCC(=O)N(C)C(CO)C(=O)NC(C)C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)(C)c1cc(C(=O)c2cccs2)cc(C(C)(C)C)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": "CC(C)(C)c1cc(C(=O)c2cccs2)cc(C(C)(C)C)c1O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(C=CC(=O)NCCc2ccc(OC3OC(C)C(OC(C)=O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(COC(C)=O)C(O)C(O)C3O)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COc1ccc(C=CC(=O)NCCc2ccc(OC3OC(C)C(OC(C)=O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(COC(C)=O)C(O)C(O)C3O)cc2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"O=c1c2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "O=c1c2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1CC(c2ccc(O)c(O)c2)c2c(cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "O=C1CC(c2ccc(O)c(O)c2)c2c(cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)O1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3NC(C)=O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(OC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C4O)C(O)C3NC(C)=O)C2NC(C)=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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3NC(C)=O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(OC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C4O)C(O)C3NC(C)=O)C2NC(C)=O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCOC(=O)Cc1ccccc1"
]
} | [
{
"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": "CCCOC(=O)Cc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(OC(=O)C=C(C)C)CC(C(C)C)C2C(=CC)C(=O)CC12"
]
} | [
{
"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(OC(=O)C=C(C)C)CC(C(C)C)C2C(=CC)C(=O)CC12",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C1CC(=O)C=C2C(=O)C3C4C(CC3(C)O)OC(=O)C4C2C1"
]
} | [
{
"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)C1CC(=O)C=C2C(=O)C3C4C(CC3(C)O)OC(=O)C4C2C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C12CC(O)C(=O)C3C4(C)CCCC(C)(C(=O)O)C4CCC31O2"
]
} | [
{
"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)C12CC(O)C(=O)C3C4(C)CCCC(C)(C(=O)O)C4CCC31O2",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)C3O)C(O)C2NC(C)=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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCCC2C1(C(=O)O)CCC(C)C2(C)CCc1ccoc1"
]
} | [
{
"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=CCCC2C1(C(=O)O)CCC(C)C2(C)CCc1ccoc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)(O)CCCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3"
]
} | [
{
"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)(O)CCCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3",
"role": "assistant"
}
] |
{
"smiles": [
"[Ag].[OH3+].[OH3+].[OH3+].[OH3+]"
]
} | [
{
"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": "[Ag].[OH3+].[OH3+].[OH3+].[OH3+]",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CCC3C3=CC(O)OC3=O)C12C"
]
} | [
{
"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)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CCC3C3=CC(O)OC3=O)C12C",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O)C1C(C(=O)OCC2OC(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C(O)C2O)C(c2ccc(O)cc2)C1c1ccc(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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "O=C(OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O)C1C(C(=O)OCC2OC(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C(O)C2O)C(c2ccc(O)cc2)C1c1ccc(O)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1c(O)ccc2c1OC(c1ccc(O)cc1)C(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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1c(O)ccc2c1OC(c1ccc(O)cc1)C(O)C2O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC(C)C2(CCCC(=O)O2)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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=O)OC1CC(C)C2(CCCC(=O)O2)C2(C)CCCC(C)(C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"O=c1c(OC2OCC(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "O=c1c(OC2OCC(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C(=O)O)cc(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c1[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": "COc1cc(C(=O)O)cc(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c1[O-]",
"role": "assistant"
}
] |
{
"smiles": [
"NC(=O)c1cncs1"
]
} | [
{
"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)c1cncs1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C4O)C(NC(C)=O)C3OC3OC(C)C(O)C(O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C4O)C(NC(C)=O)C3OC3OC(C)C(O)C(O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2CO",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(CC(CO)c2cc(CCCO)cc(OC)c2OC2OC(CO)C(O)C(O)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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COc1cc(CC(CO)c2cc(CCCO)cc(OC)c2OC2OC(CO)C(O)C(O)C2O)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C(=O)O)C1C=C2C(C)CCCC2(C)C(OC2OC(CO)C(O)C(O)C2O)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=C(C(=O)O)C1C=C2C(C)CCCC2(C)C(OC2OC(CO)C(O)C(O)C2O)C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4OC4(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3NC(C)=O)C2O)(C(=O)[O-])OC1C(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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4OC4(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3NC(C)=O)C2O)(C(=O)[O-])OC1C(O)C(O)CO",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCSC1=C(SCCCC)C(=O)N(CCOCCOCCOCCOCc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)C1=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": "CCCCSC1=C(SCCCC)C(=O)N(CCOCCOCCOCCOCc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)C1=O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)cc4OC(c4cc(O)c(O)c(O)c4)C3O)c2OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)cc4OC(c4cc(O)c(O)c(O)c4)C3O)c2OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)n1nc(CC(=O)O)nc1-c1ccc(Cl)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)n1nc(CC(=O)O)nc1-c1ccc(Cl)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OC2CC(n3cnc4c(N)ncnc43)CC2CO)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OC2CC(n3cnc4c(N)ncnc43)CC2CO)C1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CC(OC(C)=O)C=C(COC(C)=O)CCC2C(=CC(O)C=C(C)C)C(=O)OCC12"
]
} | [
{
"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=C1CC(OC(C)=O)C=C(COC(C)=O)CCC2C(=CC(O)C=C(C)C)C(=O)OCC12",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(O)C(OC(=O)C(C)=CC)C(C(C)C)C2C(=CC)C(=O)CC12"
]
} | [
{
"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=C1C(O)C(OC(=O)C(C)=CC)C(C(C)C)C2C(=CC)C(=O)CC12",
"role": "assistant"
}
] |
{
"smiles": [
"NCCC1CCC(NC(=O)C2CCC2)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "NCCC1CCC(NC(=O)C2CCC2)C(CO)O1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCC(C2=CCC3(CC2)CO3)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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1=CCC(C2=CCC3(CC2)CO3)C1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC(CNC2CC2)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC(CNC2CC2)C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCC(C(C)(C)OC2OC(COC3OC(CO)C(O)C3OC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)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 provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1=CCC(C(C)(C)OC2OC(COC3OC(CO)C(O)C3OC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)CC1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)-c1cc(ccc1OC)CC3N(C)CC2)N(C)CC4"
]
} | [
{
"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": "COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)-c1cc(ccc1OC)CC3N(C)CC2)N(C)CC4",
"role": "assistant"
}
] |
{
"smiles": [
"CC(CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C"
]
} | [
{
"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(CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)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": "Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1c2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c21)C(c1ccc(O)cc1)O4)C(c1ccc(O)cc1)O3"
]
} | [
{
"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": "O=C1c2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c21)C(c1ccc(O)cc1)O4)C(c1ccc(O)cc1)O3",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(C=C2OC(=O)C(Cc3ccc(O)c(Cl)c3)C2(O)C(C)C)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(C=C2OC(=O)C(Cc3ccc(O)c(Cl)c3)C2(O)C(C)C)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C=O)C1C(C=O)C(C=O)=CCC2C1C2(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": "C=C(C=O)C1C(C=O)C(C=O)=CCC2C1C2(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(NC(COC(=O)C(COC(=O)C(CO)NC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)C(=O)[O-])c1cc(C2OC(CO)C(O)C(O)C2O)cc(O)c1O.[Fe]"
]
} | [
{
"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(NC(COC(=O)C(COC(=O)C(CO)NC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)C(=O)[O-])c1cc(C2OC(CO)C(O)C(O)C2O)cc(O)c1O.[Fe]",
"role": "assistant"
}
] |
{
"smiles": [
"N#Cc1c(N)n(CCNC(=O)Nc2ccccc2)c2nc3ccccc3nc12"
]
} | [
{
"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": "N#Cc1c(N)n(CCNC(=O)Nc2ccccc2)c2nc3ccccc3nc12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1COC(CO)C(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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=O)NC1COC(CO)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"Cn1c(=O)c(-c2ccccc2)c(O)c2ccccc21"
]
} | [
{
"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": "Cn1c(=O)c(-c2ccccc2)c(O)c2ccccc21",
"role": "assistant"
}
] |
{
"smiles": [
"NP(=O)(OCCCO)N(CCCl)CCCl"
]
} | [
{
"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": "NP(=O)(OCCCO)N(CCCl)CCCl",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C1C(=O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C"
]
} | [
{
"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=C1C(=O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CCOC(=O)C=Cc1c[nH]c2cc(Br)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": "CCOC(=O)C=Cc1c[nH]c2cc(Br)ccc12",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc2oc(=O)ccc2c(OC)c1C(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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1cc2oc(=O)ccc2c(OC)c1C(O)C(O)CO",
"role": "assistant"
}
] |
{
"smiles": [
"COCC1Cc2cc(OC)c3c(c2C(c2ccc(OC)c(OC)c2)C1COC)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COCC1Cc2cc(OC)c3c(c2C(c2ccc(OC)c(OC)c2)C1COC)OCO3",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(c1ccc(C)c(O)c1O)C(CC=C(C)C)OC(=O)C(C)=CC"
]
} | [
{
"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=C(c1ccc(C)c(O)c1O)C(CC=C(C)C)OC(=O)C(C)=CC",
"role": "assistant"
}
] |
{
"smiles": [
"COC1C(O)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"
]
} | [
{
"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": "COC1C(O)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(CCc2cc(OC)c3c(c2)OC(c2cc(OC)c(O)c(OC)c2)C(CO)O3)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": "COc1ccc(CCc2cc(OC)c3c(c2)OC(c2cc(OC)c(O)c(OC)c2)C(CO)O3)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)c1c[nH]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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(=O)c1c[nH]cc1C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(CO)C(C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C"
]
} | [
{
"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(CO)C(C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc(C2CC(OC4CCC(OC5CC(O)C(O)C(C)O5)C(C)O4)C(O)C(C)O2)c1O)C3=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": "Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc(C2CC(OC4CCC(OC5CC(O)C(O)C(C)O5)C(C)O4)C(O)C(C)O2)c1O)C3=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC=CC=CC#CC=CC=CCCCCOC(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": "CC=CC=CC#CC=CC=CCCCCOC(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC(=O)c1c(O)c2c(c3c1OC1(O)C(C3C(C)C)C(O)C(C)(C)C(=O)C1(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C2C(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": "CCCCCC(=O)c1c(O)c2c(c3c1OC1(O)C(C3C(C)C)C(O)C(C)(C)C(=O)C1(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C2C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(CC(NC(=O)C=CCC2OC(c3ccccc3)C(O)C2C)C(=O)NCC(C)C(=O)O)cc1Cl"
]
} | [
{
"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": "COc1ccc(CC(NC(=O)C=CCC2OC(c3ccccc3)C(O)C2C)C(=O)NCC(C)C(=O)O)cc1Cl",
"role": "assistant"
}
] |
{
"smiles": [
"O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2c(O)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C(CCC(C)O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1=C(CCC(C)O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)C1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C(C)c1cc(C=CC(=O)c2ccc(O)cc2)c(OC)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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "C=C(C)C(C)c1cc(C=CC(=O)c2ccc(O)cc2)c(OC)cc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)Oc1c(C)c(C)oc(=O)c1Cc1c(OC(C)=O)c(C)c(C)oc1=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": "CC(=O)Oc1c(C)c(C)oc(=O)c1Cc1c(OC(C)=O)c(C)c(C)oc1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)C(C)CC(OC=O)C(C)c1ccc2c(c1)CCC1C2C2OC2C2(O)CC=CC(=O)C12C"
]
} | [
{
"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)C(C)CC(OC=O)C(C)c1ccc2c(c1)CCC1C2C2OC2C2(O)CC=CC(=O)C12C",
"role": "assistant"
}
] |
{
"smiles": [
"CCc1nc(C=C(C)C2CC3OC3(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O2)cs1"
]
} | [
{
"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": "CCc1nc(C=C(C)C2CC3OC3(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O2)cs1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CCC2C(C)(O)CCC(C(C)C)C2(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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "C=C1CCC2C(C)(O)CCC(C(C)C)C2(O)C1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1c2ccoc2CC2C1CC(OC(=O)c1ccccc1)C1(O)C(C)(COC(=O)c3ccccc3)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": "C=C1c2ccoc2CC2C1CC(OC(=O)c1ccccc1)C1(O)C(C)(COC(=O)c3ccccc3)CCCC21C",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)CC(=O)NC(C)C(=O)NC1CNC(=O)C=CC(Cc2ccc(O)cc2)NC(=O)C(C(C)CC)NC(=O)C(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C1=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": "CCC(C)CC(=O)NC(C)C(=O)NC1CNC(=O)C=CC(Cc2ccc(O)cc2)NC(=O)C(C(C)CC)NC(=O)C(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C1=O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(CC2(O)COC(c3cc(OC)c(O)c(-c4cc(CC5(O)COC(c6ccc(O)c(OC)c6)C5CO)cc(OC)c4O)c3)C2CO)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COc1cc(CC2(O)COC(c3cc(OC)c(O)c(-c4cc(CC5(O)COC(c6ccc(O)c(OC)c6)C5CO)cc(OC)c4O)c3)C2CO)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(OC1C(O)C(O)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC21)c1cc(O)c(O)c(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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "O=C(OC1C(O)C(O)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC21)c1cc(O)c(O)c(O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"NCCc1c[nH]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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "NCCc1c[nH]c2ccccc12",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(OC(=O)CC(C)(O)CC(=O)O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C"
]
} | [
{
"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": "CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(OC(=O)CC(C)(O)CC(=O)O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(=O)N1CCC2(CC1)CNC(CO)c1c2c2ccc(OC)cc2n1C"
]
} | [
{
"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": "CCCC(=O)N1CCC2(CC1)CNC(CO)c1c2c2ccc(OC)cc2n1C",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccccc1C(=O)OC1C(Oc2cc(O)c3c(=O)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)OC(C)C(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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1ccccc1C(=O)OC1C(Oc2cc(O)c3c(=O)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)OC(C)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CCCCCCCC=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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)CCCCCCCC=O",
"role": "assistant"
}
] |
{
"smiles": [
"CN1C(C(=O)Nc2ccccn2)=C(OC(=O)C=Cc2ccccc2)c2ccccc2S1(=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": "CN1C(C(=O)Nc2ccccn2)=C(OC(=O)C=Cc2ccccc2)c2ccccc2S1(=O)=O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1OCC2=C1NCSC2"
]
} | [
{
"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=C1OCC2=C1NCSC2",
"role": "assistant"
}
] |