[
  {
    "molid": "mol35489",
    "smiles": "Cc1cc2ccc3cccnc3c2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2ccc3cccnc3c2[nH]1",
        "std_free_energy": -6.835002899169922,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2ccc3ccc[nH+]c3c2[nH]1",
        "std_free_energy": -2.471686363220215,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.3899998664856,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]