[
  {
    "molid": "mol9965",
    "smiles": "Cc1ccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(O)cc1O",
        "std_free_energy": -7.430891513824463,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(O)cc1[O-]",
        "std_free_energy": 0.2863626778125763,
        "relative_population": 0.3959512835566716
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc([O-])cc1O",
        "std_free_energy": -0.13600099086761475,
        "relative_population": 0.6040487164433284
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc([O-])cc1[O-]",
        "std_free_energy": 12.051273345947266,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.42,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]