[
  {
    "molid": "mol31225",
    "smiles": "Cc1ccc(C(O)(O)C(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(C(O)(O)C(F)(F)F)cc1",
        "std_free_energy": -5.845556259155273,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(C([O-])(O)C(F)(F)F)cc1",
        "std_free_energy": 1.3092241287231445,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]