[
  {
    "molid": "mol11305",
    "smiles": "O=S(=O)(O)c1cccc2ccc(O)cc12",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cccc2ccc(O)cc12",
        "std_free_energy": -8.07380485534668,
        "relative_population": 0.9999622563718608
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cccc2ccc([O-])cc12",
        "std_free_energy": -2.26998233795166,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.48,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.28999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]