[
  {
    "molid": "mol36283",
    "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)CNc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)CNc1ccccc1",
        "std_free_energy": -5.6031694412231445,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)C[NH2+]c1ccccc1",
        "std_free_energy": 3.4724719524383545,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]