[
  {
    "molid": "mol15552",
    "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": -4.384507179260254,
        "relative_population": 0.9213492226220925
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H]1[C@@H]2Cc3ccc([O-])cc3[C@@]1(C)CC[NH+]2CCF",
        "std_free_energy": -1.9236855506896973,
        "relative_population": 0.07865077737790752
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1[C@@H]2Cc3ccc([O-])cc3[C@@]1(C)CCN2CCF",
        "std_free_energy": 3.759727954864502,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]