[
  {
    "molid": "mol37388",
    "smiles": "O=S(=O)(O)c1cc(S(=O)(=O)O)c2cn[nH]c2c1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cn[nH]c2c1[O-]",
        "std_free_energy": -6.096919059753418,
        "relative_population": 0.9031569696288724
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cn[n-]c2c1O",
        "std_free_energy": -3.861207962036133,
        "relative_population": 0.09656199833612819
      },
      {
        "id": "-2_7",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cn[nH]c2c1O",
        "std_free_energy": -10.768378257751465,
        "relative_population": 0.9776511556157037
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09999990463257,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]