[
  {
    "molid": "mol37890",
    "smiles": "CC(=O)c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)cc1",
        "std_free_energy": -7.894299507141113,
        "relative_population": 0.9964549087121382
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(=O)c1ccc(/N=N/c2c([O-])ccc3cc(S(=O)(=O)[O-])ccc23)cc1",
        "std_free_energy": -3.3521742820739746,
        "relative_population": 0.999999998414691
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8100004196167,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]