[
  {
    "molid": "mol14485",
    "smiles": "O=C(O)C12CC3(F)CC(F)(CC(F)(C3)C1)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@]12C[C@@]3(F)C[C@](F)(C[C@](F)(C3)C1)C2",
        "std_free_energy": -2.105971574783325,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@]12C[C@@]3(F)C[C@](F)(C[C@](F)(C3)C1)C2",
        "std_free_energy": -10.345019340515137,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.24,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]