[
  {
    "molid": "mol35966",
    "smiles": "O=C(O)C(C(C(=O)O)S(=O)(=O)O)S(=O)(=O)O",
    "microspecies": [
      {
        "id": "-4_4",
        "charge": -4,
        "smiles": "O=C([O-])[C@H]([C@H](C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]",
        "std_free_energy": -15.425850868225098,
        "relative_population": 0.9940072078173945
      },
      {
        "id": "-3_8",
        "charge": -3,
        "smiles": "O=C(O)[C@H]([C@H](C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]",
        "std_free_energy": -12.765241622924805,
        "relative_population": 0.12429484259151125
      },
      {
        "id": "-3_10",
        "charge": -3,
        "smiles": "O=C([O-])[C@H]([C@H](C(=O)[O-])S(=O)(=O)O)S(=O)(=O)[O-]",
        "std_free_energy": -14.712797164916992,
        "relative_population": 0.871496673549229
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.82999992370606,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]