[
  {
    "molid": "mol37967",
    "smiles": "O=C1/C(=N\\Nc2ccccc2Cl)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C1/C(=N\\Nc2ccccc2Cl)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21",
        "std_free_energy": 1.425081729888916,
        "relative_population": 0.9999833306505062
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1/C(=N\\Nc2ccccc2Cl)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -4.209250450134277,
        "relative_population": 0.6701969837984698
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1/C(=N\\Nc2ccccc2Cl)C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)O)ccc21",
        "std_free_energy": -3.3101470470428467,
        "relative_population": 0.27272617552035217
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C1/C(=N\\[N-]c2ccccc2Cl)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21",
        "std_free_energy": -1.7435684204101562,
        "relative_population": 0.056933825947299045
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.6999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]