[
  {
    "molid": "mol30794",
    "smiles": "Cc1cc(O)c(-c2cc(O)c(C)cc2O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(O)c(-c2cc(O)c(C)cc2O)cc1O",
        "std_free_energy": -7.691953182220459,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(O)c(-c2cc(O)c(C)cc2O)cc1[O-]",
        "std_free_energy": -0.74172043800354,
        "relative_population": 0.3054271730072606
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc([O-])c(-c2cc(O)c(C)cc2O)cc1O",
        "std_free_energy": -1.5633060932159424,
        "relative_population": 0.6945728269927395
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]