[
  {
    "molid": "mol33749",
    "smiles": "O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cc([As](=O)(O)O)ccc1[O-]",
        "std_free_energy": -6.362494468688965,
        "relative_population": 0.20764745132440537
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cc([As](=O)([O-])O)ccc1O",
        "std_free_energy": -7.701659202575684,
        "relative_population": 0.7923525486755946
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1cc([As](=O)([O-])O)ccc1[O-]",
        "std_free_energy": -7.624166965484619,
        "relative_population": 0.6088182569521797
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1cc([As](=O)([O-])[O-])ccc1O",
        "std_free_energy": -7.181819438934326,
        "relative_population": 0.3911817430478203
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.01999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]