[
  {
    "molid": "mol38409",
    "smiles": "COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1",
        "std_free_energy": -4.79337215423584,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1",
        "std_free_energy": -7.889588356018066,
        "relative_population": 0.6798731878178126
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc([NH2+]c2ccnc3cc(Cl)ccc23)cc1",
        "std_free_energy": -7.136399269104004,
        "relative_population": 0.32012681218218747
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.78000020980835,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]