[
  {
    "molid": "mol14501",
    "smiles": "Cc1ccc2nc3ccc(O)cc3nc2c1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1ccc2nc3ccc(O)cc3nc2c1",
        "std_free_energy": -6.096755027770996,
        "relative_population": 0.9997643703205038
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc2nc3ccc([O-])cc3nc2c1",
        "std_free_energy": -4.415412425994873,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.1999998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]