[
  {
    "molid": "mol35111",
    "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC(F)F",
        "std_free_energy": -5.1782684326171875,
        "relative_population": 0.9748099698713507
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[NH+]2CC(F)F",
        "std_free_energy": -7.786664962768555,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.51999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]