[
  {
    "molid": "mol22515",
    "smiles": "O=C(O)C1CC1(F)c1ccc(S(F)(F)(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@H]1C[C@]1(F)c1ccc(S(F)(F)(F)(F)F)cc1",
        "std_free_energy": -2.4320836067199707,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H]1C[C@]1(F)c1ccc(S(F)(F)(F)(F)F)cc1",
        "std_free_energy": -9.99752140045166,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.785,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]