[
  {
    "molid": "mol23034",
    "smiles": "O=C(O)c1c(F)c(F)c(C(=O)O)c(F)c1F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1c(F)c(F)c(C(=O)O)c(F)c1F",
        "std_free_energy": 3.932976245880127,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1c(F)c(F)c(C(=O)O)c(F)c1F",
        "std_free_energy": -8.005613327026367,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.37,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 1.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]