[
  {
    "molid": "mol35666",
    "smiles": "CCN1CCN(c2cccc(C(F)(F)F)c2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN1CCN(c2cccc(C(F)(F)F)c2)CC1",
        "std_free_energy": -4.646241188049316,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1",
        "std_free_energy": -8.065485000610352,
        "relative_population": 0.9818632678068328
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]