[
  {
    "molid": "mol37896",
    "smiles": "CC(C)c1ccccc1N/N=C1\\C(=O)c2ccc(S(=O)(=O)O)cc2C=C1S(=O)(=O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CC(C)c1ccccc1[N-]/N=C1\\C(=O)c2ccc(S(=O)(=O)[O-])cc2C=C1S(=O)(=O)[O-]",
        "std_free_energy": -1.5139498710632324,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(C)c1ccccc1N/N=C1\\C(=O)c2ccc(S(=O)(=O)[O-])cc2C=C1S(=O)(=O)[O-]",
        "std_free_energy": -9.506779670715332,
        "relative_population": 0.9987099856821783
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]