[
  {
    "molid": "mol37531",
    "smiles": "N#Cc1ccc(/N=N/c2ccc(O)c3ccc(S(=O)(=O)O)cc23)cc1",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "N#Cc1ccc(/N=N/c2ccc(O)c3ccc(S(=O)(=O)[O-])cc23)cc1",
        "std_free_energy": -7.455417156219482,
        "relative_population": 0.9945773461308386
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N#Cc1ccc(/N=N/c2ccc([O-])c3ccc(S(=O)(=O)[O-])cc23)cc1",
        "std_free_energy": -3.6276397705078125,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.80999994277954,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]