[
  {
    "molid": "mol36187",
    "smiles": "O=C(O)COc1ccc(S(=O)(=O)Nc2cc(-c3nccs3)ccc2-c2nc3ccccc3[nH]2)cc1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(-c3nccs3)ccc2-c2nc3ccccc3[nH]2)cc1",
        "std_free_energy": -10.824394226074219,
        "relative_population": 0.9991900864569422
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(-c3nccs3)ccc2-c2nc3ccccc3[nH]2)cc1",
        "std_free_energy": -3.310762405395508,
        "relative_population": 0.9770250810963428
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.30000019073486,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]