[
  {
    "molid": "mol22740",
    "smiles": "O=C(O)Cc1ccc(C(=O)O)c(O)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cc1ccc(C(=O)O)c(O)c1",
        "std_free_energy": -8.107388496398926,
        "relative_population": 0.2112410769660604
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)Cc1ccc(C(=O)[O-])c(O)c1",
        "std_free_energy": -9.424506187438965,
        "relative_population": 0.7884884176258045
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])Cc1ccc(C(=O)[O-])c(O)c1",
        "std_free_energy": -13.237222671508789,
        "relative_population": 0.9999695017928534
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.96,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]