[
  {
    "molid": "mol37539",
    "smiles": "O=S(=O)(O)c1ccccc1C(O)(c1ccc(O)cc1)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccccc1C(O)(c1ccc(O)cc1)c1ccc(O)cc1",
        "std_free_energy": -9.797626495361328,
        "relative_population": 0.9998831925563613
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccccc1C(O)(c1ccc([O-])cc1)c1ccc(O)cc1",
        "std_free_energy": -1.9462485313415527,
        "relative_population": 0.9955338688199793
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]