[
  {
    "molid": "mol35597",
    "smiles": "Cc1ccc(C(=O)CS(=O)(=O)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(C(=O)CS(=O)(=O)c2ccccc2)cc1",
        "std_free_energy": -5.338902473449707,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(C(=O)[CH-]S(=O)(=O)c2ccccc2)cc1",
        "std_free_energy": 0.03158843517303467,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.43000030517578,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]