[
  {
    "molid": "mol37925",
    "smiles": "Cc1cc(O)c(C(=O)O)cc1N=Nc1ccc(S(=O)(=O)O)cc1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "Cc1cc([O-])c(C(=O)[O-])cc1N=Nc1ccc(S(=O)(=O)[O-])cc1",
        "std_free_energy": -2.0631136894226074,
        "relative_population": 1.0
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "Cc1cc(O)c(C(=O)[O-])cc1N=Nc1ccc(S(=O)(=O)[O-])cc1",
        "std_free_energy": -13.117003440856934,
        "relative_population": 0.9998863696272519
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4499998092651,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]