[
  {
    "molid": "mol37893",
    "smiles": "CC(C)c1ccc(N/N=C2\\C(=O)C=Cc3cc(S(=O)(=O)O)ccc32)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)c1ccc(N/N=C2\\C(=O)C=Cc3cc(S(=O)(=O)[O-])ccc32)cc1",
        "std_free_energy": -8.493257522583008,
        "relative_population": 0.9997902226678899
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)c1ccc([N-]/N=C2\\C(=O)C=Cc3cc(S(=O)(=O)[O-])ccc32)cc1",
        "std_free_energy": 0.25175684690475464,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]