[
  {
    "molid": "mol34450",
    "smiles": "CC1=C/C(=N\\c2ccc(O)cc2)C(C(C)C)=CC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=C/C(=N\\c2ccc(O)cc2)C(C(C)C)=CC1=O",
        "std_free_energy": -6.226822853088379,
        "relative_population": 0.998730159954347
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1=C/C(=N\\c2ccc([O-])cc2)C(C(C)C)=CC1=O",
        "std_free_energy": -0.7614693641662598,
        "relative_population": 0.9637759906188883
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]