[
  {
    "molid": "mol11444",
    "smiles": "O=Nc1c(O)ccc2ccc(S(=O)(=O)O)cc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Nc1c(O)ccc2ccc(S(=O)(=O)[O-])cc12",
        "std_free_energy": -7.663588047027588,
        "relative_population": 0.9766669058778474
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=Nc1c([O-])ccc2ccc(S(=O)(=O)[O-])cc12",
        "std_free_energy": -5.074141025543213,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.31,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]