[
  {
    "molid": "mol37895",
    "smiles": "CC(C)c1ccccc1N/N=C1\\C(=O)C=Cc2cc(S(=O)(=O)O)ccc21",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)c1ccccc1N/N=C1\\C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -8.317890167236328,
        "relative_population": 0.9996232343073579
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)c1ccccc1[N-]/N=C1\\C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -0.10758040845394135,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]