MMChat SFT
Collection
27 items
•
Updated
molecules
dict | messages
listlengths 3
3
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---|---|
{
"smiles": [
"C=CC(C)(C)c1[nH]cnc1C=C1NC(=O)C(C(C)C)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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "C=CC(C)(C)c1[nH]cnc1C=C1NC(=O)C(C(C)C)NC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=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": "CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC1OC(CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2=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": "CCCC1OC(CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC1CN(C)S(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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1CN(C(C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC1CN(C)S(C)(=O)=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCC(=O)CC1(O)C(=O)c2ccccc2-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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCC(=O)CC1(O)C(=O)c2ccccc2-c2ccccc21",
"role": "assistant"
}
] |
{
"smiles": [
"O=NON=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": "O=NON=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OCC(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)OCC(O)CO",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=CCCC(C)C)C1CCC2(C)C3CCC4C(C)(C)C5CCC4(CO5)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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(=CCCC(C)C)C1CCC2(C)C3CCC4C(C)(C)C5CCC4(CO5)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC=CC#CC#CCCCOC1OC(CO)C(O)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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC=CC#CC#CCCCOC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(O)C(O)C(O)C(O)CCCN=C=S"
]
} | [
{
"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": "CCCC(O)C(O)C(O)C(O)CCCN=C=S",
"role": "assistant"
}
] |
{
"smiles": [
"[C-]#[N+]C12CC(O)C(C)(C)c3[nH]c4cccc5c4c3C1(O)C(CCC2(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+]C12CC(O)C(C)(C)c3[nH]c4cccc5c4c3C1(O)C(CCC2(C)C=C)C5(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CCCCCCCCCCC1CC(=O)NC(C(C)O)C(=O)NC(C)C(=O)N2CCC(O)C2C(=O)NC(CCCN=C(N)N)C(=O)NC(C(O)C(=O)O)C(=O)NC(CO)C(=O)N2CCC(O)C2C(=O)NC(C(O)C(=O)O)C(=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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(C)CCCCCCCCCCC1CC(=O)NC(C(C)O)C(=O)NC(C)C(=O)N2CCC(O)C2C(=O)NC(CCCN=C(N)N)C(=O)NC(C(O)C(=O)O)C(=O)NC(CO)C(=O)N2CCC(O)C2C(=O)NC(C(O)C(=O)O)C(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc2cc3c(c(O)c2c(O)c1-c1c(O)cc(O)c2c1C(=O)c1cc(C)cc(O)c1C2=O)C(=O)CC(C)(O)C3"
]
} | [
{
"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": "COc1cc2cc3c(c(O)c2c(O)c1-c1c(O)cc(O)c2c1C(=O)c1cc(C)cc(O)c1C2=O)C(=O)CC(C)(O)C3",
"role": "assistant"
}
] |
{
"smiles": [
"CCC12CCCN3CCc4c(n(c5ccccc45)C(OC)C1)C32"
]
} | [
{
"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": "CCC12CCCN3CCc4c(n(c5ccccc45)C(OC)C1)C32",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C2CCC(CC(=O)NCC(F)(F)F)OC2CO3)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. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C2CCC(CC(=O)NCC(F)(F)F)OC2CO3)c1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1COC(OC2CCC3(CO)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)(C)O)CCC43)C2)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=O)OC1COC(OC2CCC3(CO)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)(C)O)CCC43)C2)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCCC(O)C=CC(O)C=CC(=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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1CCCC(O)C=CC(O)C=CC(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(CCC(C(=O)O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)C(=O)OC)C(C)(C)C1CC3)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 provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C(CCC(C(=O)O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)C(=O)OC)C(C)(C)C1CC3)C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)Nc1nc(N)nc2c1ncn2C1C=CC(CO)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": "CCC(C)Nc1nc(N)nc2c1ncn2C1C=CC(CO)C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCCCOC(CN(C)Cc2ccc(Cl)c(Cl)c2)C(C)CN(C(C)CO)C(=O)c2cc(N(C)C)ccc2O1"
]
} | [
{
"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": "CC1CCCCOC(CN(C)Cc2ccc(Cl)c(Cl)c2)C(C)CN(C(C)CO)C(=O)c2cc(N(C)C)ccc2O1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1NC(Cc2ccccc2)CN2CCCCC12"
]
} | [
{
"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=C1NC(Cc2ccccc2)CN2CCCCC12",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)c1ccc2c(O)ccc(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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "O=C(O)c1ccc2c(O)ccc(O)c2c1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3NC(C)=O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3NC(C)=O)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(=O)NC1C(O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3NC(C)=O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3NC(C)=O)C2O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1COC(=O)C12CC1(C)C(C)CCC(OC(=O)C(C)=CC)C1C2OC(=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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C1COC(=O)C12CC1(C)C(C)CCC(OC(=O)C(C)=CC)C1C2OC(=O)C(C)=CC",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c3c(=O)cc(C)oc3cc2c1"
]
} | [
{
"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(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c3c(=O)cc(C)oc3cc2c1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CCCCCCCCCC1CC(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=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": "CC(C)CCCCCCCCCC1CC(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cccc2c1C(=O)c1c(O)cc3c(c1C2=O)C(=O)CC(C)(O)C3"
]
} | [
{
"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": "COc1cccc2c1C(=O)c1c(O)cc3c(c1C2=O)C(=O)CC(C)(O)C3",
"role": "assistant"
}
] |
{
"smiles": [
"O.O.O=C1NS(=O)(=O)c2ccccc21.[Na]"
]
} | [
{
"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.O.O=C1NS(=O)(=O)c2ccccc21.[Na]",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)Cc1ccccc1)OCCCCC(C)O2"
]
} | [
{
"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)NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)Cc1ccccc1)OCCCCC(C)O2",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC=CCc1[nH]c2ccccc2c(=O)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCCCCC=CCc1[nH]c2ccccc2c(=O)c1C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OCC1OC(Oc2ccc3c(c2O)OC(=Cc2ccc(O)c(O)c2)C3=O)C(O)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": "CC(=O)OCC1OC(Oc2ccc3c(c2O)OC(=Cc2ccc(O)c(O)c2)C3=O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3c(OC)ccc4c5c([nH]c34)C3CC4CC(C(C)O)C3N(CC5)C4)CC1C2(CO)C(=O)OC"
]
} | [
{
"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=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3c(OC)ccc4c5c([nH]c34)C3CC4CC(C(C)O)C3N(CC5)C4)CC1C2(CO)C(=O)OC",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)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. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1OC(=O)CC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCC=CCC=CCC=CCC=CCC=CCCCCC(=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=CCC=CCC=CCCCCC(=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": [
"CC1CN(C(C)CO)C(=O)CCCn2nncc2COC1CN(C)S(=O)(=O)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1CN(C(C)CO)C(=O)CCCn2nncc2COC1CN(C)S(=O)(=O)c1ccc(Cl)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(N)C(O)CC=CCC=CCC=CCC=CCC=CCC=CCCCCCCC(O)C(C)N"
]
} | [
{
"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(N)C(O)CC=CCC=CCC=CCC=CCC=CCC=CCCCCCCC(O)C(C)N",
"role": "assistant"
}
] |
{
"smiles": [
"CCOC1c2cc(C(C)C)c(O)c(O)c2C23CCCC(C)(C)C2C1OC3=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": "CCOC1c2cc(C(C)C)c(O)c(O)c2C23CCCC(C)(C)C2C1OC3=O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(C=Cc1ccc(O)cc1)OC(C(=O)O)C(O)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "O=C(C=Cc1ccc(O)cc1)OC(C(=O)O)C(O)C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1"
]
} | [
{
"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)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)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 give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCC=CCC=CCCCCCCCC(=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": "CCC=CCC=CCC=CCCCCCCCC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC2C(C)(CCC(O)C2(C)C)C2=CCC3(C)C4C(O)CC(C(C)C)C4(CO)CCC3(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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(=O)OC1CC2C(C)(CCC(O)C2(C)C)C2=CCC3(C)C4C(O)CC(C(C)C)C4(CO)CCC3(C)C21",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1-c1nc2ccccc2[nH]1"
]
} | [
{
"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=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1-c1nc2ccccc2[nH]1",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COC=CCCCCCCCCCCCCCCCC)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCC2C(C=CC3COC(=O)C(O)(CO)C32C)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": "CC1CCC2C(C=CC3COC(=O)C(O)(CO)C32C)C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C)C(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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C)C(C)C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"Nc1nc2c(c(=O)[nH]1)N1C[NH+](c3ccc(C(=O)NC(CCC(=O)O)C(=O)[O-])cc3)CC1CN2"
]
} | [
{
"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": "Nc1nc2c(c(=O)[nH]1)N1C[NH+](c3ccc(C(=O)NC(CCC(=O)O)C(=O)[O-])cc3)CC1CN2",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC(C)=CCC12CC3CC4C(CC(C(C)(C)O)C4(C)C)(C1=O)C(=O)C(C(=O)c1ccccc1)(C2=O)C3(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": "CC(C)=CCCC(C)=CCC12CC3CC4C(CC(C(C)(C)O)C4(C)C)(C1=O)C(=O)C(C(=O)c1ccccc1)(C2=O)C3(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCCCCC"
]
} | [
{
"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": "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCCCCC",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)CCCC1(C)CCC(C(C)(C)OC2OC(C)C(O)C(O)C2OC(C)=O)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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(=O)CCCC1(C)CCC(C(C)(C)OC2OC(C)C(O)C(O)C2OC(C)=O)CC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CNC(=O)CC1C(=O)N(C)C(C)C(=O)OC(C)CCCC=CCCC(OC)CC=CC=C(C)C(=O)NC(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)N1C"
]
} | [
{
"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": "CNC(=O)CC1C(=O)N(C)C(C)C(=O)OC(C)CCCC=CCCC(OC)CC=CC=C(C)C(=O)NC(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)N1C",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1cc2c(c3c1COC3=O)C(O)C(C)(C)C2"
]
} | [
{
"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": "Cc1cc2c(c3c1COC3=O)C(O)C(C)(C)C2",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC(C(C)C)=CC=C(C)CCC=C(C)CCC2OC12C"
]
} | [
{
"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)OC1CC(C(C)C)=CC=C(C)CCC=C(C)CCC2OC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)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": "CC(C)C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCC2=CCC(C)C(C)(CCC(C)=CCC1)C2C"
]
} | [
{
"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": "CC1=CCC2=CCC(C)C(C)(CCC(C)=CCC1)C2C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CCCCCCCCC(=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)Cc2cc(c(O)c([N+](=O)[O-])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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(C)CCCCCCCCC(=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)Cc2cc(c(O)c([N+](=O)[O-])c2)-c2cc1ccc2O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2CC(C)C3=CC(=O)C(C)(CC(OC(=O)C(C)=CC)C12)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=C1C(=O)OC2CC(C)C3=CC(=O)C(C)(CC(OC(=O)C(C)=CC)C12)O3",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC(C)=CCC(=O)CC(C)CCC=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 provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(C)=CCCC(C)=CCC(=O)CC(C)CCC=C(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"Nc1ccccc1[N+](=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 provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Nc1ccccc1[N+](=O)[O-]",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OCC1OC(OC2C(=O)C3(C)CCC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(C)(CO)C6CCC54C)C3CC2(C)C)C(O)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)OCC1OC(OC2C(=O)C3(C)CCC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(C)(CO)C6CCC54C)C3CC2(C)C)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)C23C(O)CC4C(C)(CO)C(=O)CCC4(C)C2CCC1C3O"
]
} | [
{
"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)C23C(O)CC4C(C)(CO)C(=O)CCC4(C)C2CCC1C3O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CCC2(C)C(CCC(C)(OC(C)=O)C2CCC2C(C)(OC(C)=O)CCC3OC(C)(C)C(O)CCC32C)OC1(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": "CC(=O)OC1CCC2(C)C(CCC(C)(OC(C)=O)C2CCC2C(C)(OC(C)=O)CCC3OC(C)(C)C(O)CCC32C)OC1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)CC(O)(CCCC(C)C)C(=O)OC1C2c3cc4c(cc3C3CN5CCCC25CC1(OC)O3)OCO4"
]
} | [
{
"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": "COC(=O)CC(O)(CCCC(C)C)C(=O)OC1C2c3cc4c(cc3C3CN5CCCC25CC1(OC)O3)OCO4",
"role": "assistant"
}
] |
{
"smiles": [
"COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(C)C(O)C(O)C6O)CC(OC6OC(C)C(O)C(O)C6O)C5(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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(C)C(O)C(O)C6O)CC(OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C",
"role": "assistant"
}
] |
{
"smiles": [
"Nc1ncc(C2CCNC(=O)c3[nH]cc(Br)c32)[nH]1"
]
} | [
{
"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": "Nc1ncc(C2CCNC(=O)c3[nH]cc(Br)c32)[nH]1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1C(=O)OC2CC3(C)OC3CC(O)C3=CC(OC3=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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC1C(=O)OC2CC3(C)OC3CC(O)C3=CC(OC3=O)C21",
"role": "assistant"
}
] |
{
"smiles": [
"O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)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": "O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)cc12",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)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": "O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC1=CC(=CCC(O)CO)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCC1=CC(=CCC(O)CO)OC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc2c3c(c1O)-c1c(ccc(O)c1OC)CC3N(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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1cc2c3c(c1O)-c1c(ccc(O)c1OC)CC3N(C)CC2",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc2c(c(OC)c1O)C1c3c(cc(OC)c(O)c3OC)C(=O)C(CO2)C1CO"
]
} | [
{
"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": "COc1cc2c(c(OC)c1O)C1c3c(cc(OC)c(O)c3OC)C(=O)C(CO2)C1CO",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)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=CC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2=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": "COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2=O",
"role": "assistant"
}
] |
{
"smiles": [
"CN1C2CC(=O)CC1C(O)C2"
]
} | [
{
"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": "CN1C2CC(=O)CC1C(O)C2",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C(=O)OC(C1=CC(C)(C)C(CC(=O)OC)C(C)C1=O)C1(O)C(=O)CCC2(C)C1=CC(=O)OC2c1ccoc1"
]
} | [
{
"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)OC(C1=CC(C)(C)C(CC(=O)OC)C(C)C1=O)C1(O)C(=O)CCC2(C)C1=CC(=O)OC2c1ccoc1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C=CCOC(=O)CC(C)C)cc(OC)c1OC"
]
} | [
{
"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": "COc1cc(C=CCOC(=O)CC(C)C)cc(OC)c1OC",
"role": "assistant"
}
] |
{
"smiles": [
"C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OC"
]
} | [
{
"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=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OC",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1c(C)c2c(c(C)c1O)C=CC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2"
]
} | [
{
"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": "Cc1c(C)c2c(c(C)c1O)C=CC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)c(O)c1)C2(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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)c(O)c1)C2(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)c1ccc2c(=O)c3c(O)cc(CO)cc3oc2c1O"
]
} | [
{
"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": "COC(=O)c1ccc2c(=O)c3c(O)cc(CO)cc3oc2c1O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(C=Cc1ccc(F)cc1)NCc1cccs1"
]
} | [
{
"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=C(C=Cc1ccc(F)cc1)NCc1cccs1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCNCC=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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCCCCNCC=Cc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"CON=Cc1cc(OC)cc(-c2ccccn2)n1"
]
} | [
{
"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": "CON=Cc1cc(OC)cc(-c2ccccn2)n1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C(O)C2COC(=O)C2Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)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 provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1cc(C(O)C2COC(=O)C2Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1"
]
} | [
{
"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": "CCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1",
"role": "assistant"
}
] |
{
"smiles": [
"CC12C=C(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)CC(C1)c1ccc(O)cc1O2"
]
} | [
{
"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": "CC12C=C(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)CC(C1)c1ccc(O)cc1O2",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2"
]
} | [
{
"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": "COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)OC(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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)OC(C)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1CC(O)(COP(=O)(O)O)C(O)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "O=C1CC(O)(COP(=O)(O)O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CC([NH+](C)C)C(O)C(OC2C(C)CC(C)C(=O)C=CC(C)(O)C(C(C)O)OC(=O)C2C)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1CC([NH+](C)C)C(O)C(OC2C(C)CC(C)C(=O)C=CC(C)(O)C(C(C)O)OC(=O)C2C)O1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C1CCC2(C1)C(C)CC(O)CC2O"
]
} | [
{
"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(C)C1CCC2(C1)C(C)CC(O)CC2O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCCOC(=O)CC=CCC"
]
} | [
{
"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=CCCOC(=O)CC=CCC",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CC(=O)NC1C(O)CC2(C)C(CCC3C4CC=C(C(C)N(C)C)C4(C)CCC32)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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(C)=CC(=O)NC1C(O)CC2(C)C(CCC3C4CC=C(C(C)N(C)C)C4(C)CCC32)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(=O)CC2C(C(=O)[O-])=CC3CC(C)(C)CC312"
]
} | [
{
"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": "CC1OC(=O)CC2C(C(=O)[O-])=CC3CC(C)(C)CC312",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OCC(C)N(C)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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "COC1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OCC(C)N(C)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(COC(=O)CC(C)C)C1CCC2(C)CCCC(=C)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "C=C(COC(=O)CC(C)C)C1CCC2(C)CCCC(=C)C2C1",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C(N=C(O)C(CCCCN)N=C(O)CN=C(O)C(CC(C)C)N=C(O)C(Cc1ccccc1)N=C(O)C(CCC(=N)O)N=C(O)C(Cc1ccccc1)N=C(O)C(N)C(C)C)C(O)=NC(C(O)=NC(Cc1cnc[nH]1)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(Cc1cnc[nH]1)C(O)=NCC(O)=NC(Cc1ccccc1)C(O)=NC(CO)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(C(O)=NC(Cc1ccccc1)C(=N)O)C(C)C)C(C)C)C(C)C)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CCC(C)C(N=C(O)C(CCCCN)N=C(O)CN=C(O)C(CC(C)C)N=C(O)C(Cc1ccccc1)N=C(O)C(CCC(=N)O)N=C(O)C(Cc1ccccc1)N=C(O)C(N)C(C)C)C(O)=NC(C(O)=NC(Cc1cnc[nH]1)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(Cc1cnc[nH]1)C(O)=NCC(O)=NC(Cc1ccccc1)C(O)=NC(CO)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(C(O)=NC(Cc1ccccc1)C(=N)O)C(C)C)C(C)C)C(C)C)C(C)CC",
"role": "assistant"
}
] |