[
  {
    "molid": "mol36546",
    "smiles": "CNCc1cc(O)no1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH2+]Cc1cc([O-])no1",
        "std_free_energy": -6.595552444458008,
        "relative_population": 0.9542124784274677
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH2+]Cc1cc(O)no1",
        "std_free_energy": -5.078804016113281,
        "relative_population": 0.9751413175421298
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.53000020980835,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]