[
  {
    "molid": "mol21585",
    "smiles": "CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1",
        "std_free_energy": -5.0022053718566895,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1",
        "std_free_energy": -8.067586898803711,
        "relative_population": 0.9862664532204561
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.81,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]