[
  {
    "molid": "mol34240",
    "smiles": "O=S(=O)(O)c1cc(O)c2cc(O)ccc2c1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(O)c2cc(O)ccc2c1",
        "std_free_energy": -7.98748779296875,
        "relative_population": 0.9985869763343252
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc([O-])c2cc(O)ccc2c1",
        "std_free_energy": -2.7133946418762207,
        "relative_population": 0.49790013968871805
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(O)c2cc([O-])ccc2c1",
        "std_free_energy": -2.721588611602783,
        "relative_population": 0.5019966788988139
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.60999965667725,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]