[
  {
    "molid": "mol35961",
    "smiles": "O=C(O)C(=O)Nc1ccc([As](=O)(O)O)cc1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])C(=O)Nc1ccc([As](=O)(O)O)cc1",
        "std_free_energy": -9.863075256347656,
        "relative_population": 0.9482995658127518
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])C(=O)Nc1ccc([As](=O)([O-])O)cc1",
        "std_free_energy": -12.44201374053955,
        "relative_population": 0.9981167088589031
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.92000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]