[
  {
    "molid": "mol35548",
    "smiles": "Nc1ccncc1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1ccncc1O",
        "std_free_energy": -4.337538719177246,
        "relative_population": 0.23799117842521336
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Nc1cc[nH+]cc1[O-]",
        "std_free_energy": -5.495054244995117,
        "relative_population": 0.7572921674701356
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc[nH+]cc1O",
        "std_free_energy": -7.2972731590271,
        "relative_population": 0.5178218366912009
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1ccncc1O",
        "std_free_energy": -7.225955486297607,
        "relative_population": 0.48217810862119326
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]