[
  {
    "molid": "mol37968",
    "smiles": "O=C1/C(=N\\Nc2ccccc2S(=O)(=O)O)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=C1/C(=N\\[N-]c2ccccc2S(=O)(=O)[O-])C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -3.0713794231414795,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C1/C(=N\\Nc2ccccc2S(=O)(=O)[O-])C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -10.806451797485352,
        "relative_population": 0.997998404331
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.1999998092651,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]