[
  {
    "molid": "mol35618",
    "smiles": "CCCc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)ccc1O",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CCCc1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)ccc1O",
        "std_free_energy": -9.501585006713867,
        "relative_population": 0.9999436390172225
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCCc1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)ccc1[O-]",
        "std_free_energy": -1.652173399925232,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.1899995803833,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]