[
  {
    "molid": "mol16275",
    "smiles": "CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc([O-])cc13",
        "std_free_energy": -2.557565689086914,
        "relative_population": 0.5881486603980421
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13",
        "std_free_energy": -2.2012484073638916,
        "relative_population": 0.41185133960195774
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc([O-])cc13",
        "std_free_energy": 5.781893730163574,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]