[
  {
    "molid": "mol23432",
    "smiles": "COc1ccc(C(O)C(=O)O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc([C@H](O)C(=O)O)cc1O",
        "std_free_energy": -3.5752432346343994,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc([C@H](O)C(=O)[O-])cc1O",
        "std_free_energy": -10.42522144317627,
        "relative_population": 0.9999177612254772
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]