[
  {
    "molid": "mol30871",
    "smiles": "Oc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1O",
        "std_free_energy": -2.3099489212036133,
        "relative_population": 0.2912597345401604
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1c(O)cc(-c2ccccc2)c(O)c1-c1ccccc1",
        "std_free_energy": -2.828254222869873,
        "relative_population": 0.48907738539777534
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1c(-c2ccccc2)cc(O)c(O)c1-c1ccccc1",
        "std_free_energy": -2.027827501296997,
        "relative_population": 0.2196628800620642
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1c(O)cc(-c2ccccc2)c([O-])c1-c1ccccc1",
        "std_free_energy": 9.268726348876953,
        "relative_population": 0.0997884799687077
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-]c1cc(-c2ccccc2)c([O-])c(-c2ccccc2)c1O",
        "std_free_energy": 7.520284652709961,
        "relative_population": 0.5733489055688533
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "[O-]c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1[O-]",
        "std_free_energy": 8.082239151000977,
        "relative_population": 0.326862614462439
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]