[
  {
    "molid": "mol11318",
    "smiles": "O=S(=O)(O)c1ccc2c(O)cc(S(=O)(=O)O)cc2c1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1ccc2c([O-])cc(S(=O)(=O)[O-])cc2c1",
        "std_free_energy": -3.167562484741211,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1",
        "std_free_energy": -10.718669891357422,
        "relative_population": 0.9992793355039753
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.64,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.1,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]