[
  {
    "molid": "mol36459",
    "smiles": "CN1C(=O)c2ccccc2C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)c2ccccc2[C@H]1O",
        "std_free_energy": -7.379642486572266,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C(=O)c2ccccc2[C@H]1[O-]",
        "std_free_energy": 5.248369216918945,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.6199998855591,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]