[
  {
    "molid": "mol35619",
    "smiles": "CCCc1cc(/N=N/c2ccc([As](=O)(O)O)cc2)ccc1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCc1cc(/N=N/c2ccc([As](=O)([O-])O)cc2)ccc1O",
        "std_free_energy": -9.830768585205078,
        "relative_population": 0.9995568680638817
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CCCc1cc(/N=N/c2ccc([As](=O)([O-])[O-])cc2)ccc1O",
        "std_free_energy": -7.890138626098633,
        "relative_population": 0.9980468845978876
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.96999979019165,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]