[
  {
    "molid": "mol11314",
    "smiles": "O=S(=O)(O)c1cc(O)cc2c(S(=O)(=O)O)cccc12",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1cc([O-])cc2c(S(=O)(=O)[O-])cccc12",
        "std_free_energy": -3.2287492752075195,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(O)cc2c(S(=O)(=O)[O-])cccc12",
        "std_free_energy": -10.68856143951416,
        "relative_population": 0.9992634229758832
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]