[
  {
    "molid": "mol22765",
    "smiles": "O=C(O)c1cccc(C(=O)O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cccc(C(=O)O)c1O",
        "std_free_energy": 0.24430157244205475,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cccc(C(=O)O)c1O",
        "std_free_energy": -8.6543607711792,
        "relative_population": 0.9985739780485507
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cccc(C(=O)[O-])c1O",
        "std_free_energy": -14.297503471374512,
        "relative_population": 0.9999989861083175
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.515,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 1.865,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]