[
  {
    "molid": "mol36795",
    "smiles": "O=C1C(O)Oc2cc(Cl)ccc2N1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[C@@H](O)Oc2cc(Cl)ccc2N1[O-]",
        "std_free_energy": -3.4788663387298584,
        "relative_population": 0.9715257576299701
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C1[C-]([O-])Oc2cc(Cl)ccc2N1O",
        "std_free_energy": 2.1621830463409424,
        "relative_population": 0.9519275144374932
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2200002670288,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]