[
  {
    "molid": "mol12858",
    "smiles": "Cc1cc2nnn(O)c2cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2nnn(O)c2cc1Cl",
        "std_free_energy": -3.2613685131073,
        "relative_population": 0.9999955709955733
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc2nnn([O-])c2cc1Cl",
        "std_free_energy": -8.267759323120117,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.5700002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.57000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]