[
  {
    "molid": "mol11307",
    "smiles": "O=S(=O)(O)c1ccc2ccccc2c1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc2ccccc2c1O",
        "std_free_energy": -11.020946502685547,
        "relative_population": 0.9998853142113131
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc2ccccc2c1[O-]",
        "std_free_energy": -2.527097702026367,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.47,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]