[
  {
    "molid": "mol35112",
    "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCF",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCF",
        "std_free_energy": -4.202749729156494,
        "relative_population": 0.8927916476240315
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H]1[C@H]2Cc3ccc([O-])cc3[C@]1(C)CC[NH+]2CCF",
        "std_free_energy": -2.0831706523895264,
        "relative_population": 0.10720835237596846
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1[C@H]2Cc3ccc([O-])cc3[C@]1(C)CCN2CCF",
        "std_free_energy": 3.699457883834839,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.35000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]