[
  {
    "molid": "mol11302",
    "smiles": "O=S(=O)(O)c1c(O)ccc2ccccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1c(O)ccc2ccccc12",
        "std_free_energy": -10.719259262084961,
        "relative_population": 0.9998475056731408
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1c([O-])ccc2ccccc12",
        "std_free_energy": -2.7643775939941406,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.38,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.960000038147,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]