[
  {
    "molid": "mol37103",
    "smiles": "ON=Cc1cnc[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "ON=Cc1cnc[nH]1",
        "std_free_energy": -6.198249340057373,
        "relative_population": 0.9944662105859785
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]N=Cc1cnc[nH]1",
        "std_free_energy": 1.8160263299942017,
        "relative_population": 0.9623934139173204
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1899995803833,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]