[
  {
    "molid": "mol34992",
    "smiles": "CC(=O)c1cccc(/N=N/c2ccc(O)c3ccc(S(=O)(=O)O)cc23)c1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)c1cccc(/N=N/c2ccc(O)c3ccc(S(=O)(=O)[O-])cc23)c1",
        "std_free_energy": -7.044531345367432,
        "relative_population": 0.9953119576352187
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=O)c1cccc(/N=N/c2ccc([O-])c3ccc(S(=O)(=O)[O-])cc23)c1",
        "std_free_energy": -3.329490900039673,
        "relative_population": 0.9999999987898404
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.48000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]