[
  {
    "molid": "mol12785",
    "smiles": "Oc1cc(-c2ccccc2)n[nH]1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1cc(-c2ccccc2)n[nH]1",
        "std_free_energy": -7.214890003204346,
        "relative_population": 0.9999998003736705
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc(-c2ccccc2)n[nH]1",
        "std_free_energy": 4.488849639892578,
        "relative_population": 0.5392494445378584
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Oc1cc(-c2ccccc2)n[n-]1",
        "std_free_energy": 4.6461710929870605,
        "relative_population": 0.46075055546214155
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]