[
  {
    "molid": "mol22798",
    "smiles": "O=C(O)c1ccc2ccccc2c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc2ccccc2c1O",
        "std_free_energy": -2.797657012939453,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc2ccccc2c1O",
        "std_free_energy": -11.783435821533203,
        "relative_population": 0.9999780130213204
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1ccc2ccccc2c1[O-]",
        "std_free_energy": 3.684626817703247,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.86,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.76,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]