messages listlengths 2 2 |
|---|
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 304.55 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 307.95 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 310.55 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 312.9 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 316.4 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 319.6 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 323.4 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 327.35 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 331.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 334.95 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 338.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)c1ccc2ccccc2c1O</SMILES> in <SMILES>CCO</SMILES> at 342.25 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-4.4",
"role": "ass... |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-4.2",
"role": "ass... |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.9",
"role": "ass... |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O</SMILES> in <SMILES>CCO</SMILES> at 323.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.7",
"role": "ass... |
[
{
"content": "Predict the solubility of <SMILES>COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O</SMILES> in <SMILES>CCO</SMILES> at 333.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-3.5",
"role": "ass... |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 280.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 285.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 290.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 295.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 300.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 305.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 310.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>Nc1cccc(N)c1</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>1.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 281.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 284.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 287.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 290.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 296.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 299.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 302.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 305.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 311.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 314.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 317.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 320.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1c[nH]cn1</SMILES> in <SMILES>CCO</SMILES> at 323.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1</SMILES> in <SMILES>CCO</SMILES> at 297.95 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-2.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1</SMILES> in <SMILES>CCO</SMILES> at 310.95 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1</SMILES> in <SMILES>CCO</SMILES> at 317.65 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1</SMILES> in <SMILES>CCO</SMILES> at 327.95 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1</SMILES> in <SMILES>CCO</SMILES> at 337.85 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1</SMILES> in <SMILES>CCO</SMILES> at 347.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl</SMILES> in <SMILES>CCO</SMILES> at 318.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl</SMILES> in <SMILES>CCO</SMILES> at 323.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C1c2ccccc2-c2ccccc21</SMILES> in <SMILES>CCO</SMILES> at 278.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C1c2ccccc2-c2ccccc21</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C1c2ccccc2-c2ccccc21</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C1c2ccccc2-c2ccccc21</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C1c2ccccc2-c2ccccc21</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C1c2ccccc2-c2ccccc21</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C1c2ccccc2-c2ccccc21</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C1c2ccccc2-c2ccccc21</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>O=C1c2ccccc2-c2ccccc21</SMILES> in <SMILES>CCO</SMILES> at 318.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21</SMILES> in <SMILES>CCO</SMILES> at 279.1 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.7",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21</SMILES> in <SMILES>CCO</SMILES> at 282.2 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21</SMILES> in <SMILES>CCO</SMILES> at 285.3 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21</SMILES> in <SMILES>CCO</SMILES> at 288.5 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.6",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21</SMILES> in <SMILES>CCO</SMILES> at 291.3 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21</SMILES> in <SMILES>CCO</SMILES> at 296.1 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21</SMILES> in <SMILES>CCO</SMILES> at 301 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21</SMILES> in <SMILES>CCO</SMILES> at 305.8 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21</SMILES> in <SMILES>CCO</SMILES> at 310.7 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21</SMILES> in <SMILES>CCO</SMILES> at 315.5 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.5",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.4",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.3",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 313.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 318.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 323.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 328.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 333.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 338.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.9",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C</SMILES> in <SMILES>CCO</SMILES> at 343.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>-0.8",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>C=C(CC(=O)O)C(=O)O</SMILES> in <SMILES>CCO</SMILES> at 283.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>C=C(CC(=O)O)C(=O)O</SMILES> in <SMILES>CCO</SMILES> at 288.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>C=C(CC(=O)O)C(=O)O</SMILES> in <SMILES>CCO</SMILES> at 293.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.1",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>C=C(CC(=O)O)C(=O)O</SMILES> in <SMILES>CCO</SMILES> at 298.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>C=C(CC(=O)O)C(=O)O</SMILES> in <SMILES>CCO</SMILES> at 303.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.2",
"role": "assistant"
}
] |
[
{
"content": "Predict the solubility of <SMILES>C=C(CC(=O)O)C(=O)O</SMILES> in <SMILES>CCO</SMILES> at 308.15 Kelvin in logS.",
"role": "user"
},
{
"content": "<think></think>0.2",
"role": "assistant"
}
] |
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