[
  {
    "molid": "mol37889",
    "smiles": "CC(=O)c1ccc(N/N=C2\\C(=O)C=Cc3cc(S(=O)(=O)O)ccc32)cc1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)c1ccc(N/N=C2\\C(=O)C=Cc3cc(S(=O)(=O)[O-])ccc32)cc1",
        "std_free_energy": -9.05881404876709,
        "relative_population": 0.9998941314716059
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC(=O)c1ccc([N-]/N=C2\\C(=O)C=Cc3cc(S(=O)(=O)[O-])ccc32)cc1",
        "std_free_energy": -0.8122364282608032,
        "relative_population": 0.9999994034333677
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]