[
  {
    "molid": "mol35218",
    "smiles": "C[n+]1ccc2ccc([O-])cc2c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1ccc2ccc([O-])cc2c1",
        "std_free_energy": -3.5621178150177,
        "relative_population": 0.9991690244991996
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ccc2ccc(O)cc2c1",
        "std_free_energy": -5.086579322814941,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09000015258789,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]