[
  {
    "molid": "mol37384",
    "smiles": "O=S(=O)(O)c1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)O)cc2c1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1ccc2c([O-])c(/N=N/c3ccccc3)c(S(=O)(=O)[O-])cc2c1",
        "std_free_energy": -4.056083679199219,
        "relative_population": 1.0
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)[O-])cc2c1",
        "std_free_energy": -11.953210830688477,
        "relative_population": 0.998506367403194
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6599998474121,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]