[
  {
    "molid": "mol35685",
    "smiles": "Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)O)cc3ccc(O)cc23)cc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)[O-])cc3ccc(O)cc23)cc1",
        "std_free_energy": -8.398351669311523,
        "relative_population": 0.9998842555661702
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)[O-])cc3ccc([O-])cc23)cc1",
        "std_free_energy": -2.740328788757324,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.60000038146973,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]