[
  {
    "molid": "mol35962",
    "smiles": "O=C(O)C(=O)Nc1ccc([As](=O)(O)O)cc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C(=O)Nc1ccc([As](=O)(O)O)cc1[N+](=O)[O-]",
        "std_free_energy": 0.335469126701355,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C(=O)Nc1ccc([As](=O)(O)O)cc1[N+](=O)[O-]",
        "std_free_energy": -9.563764572143555,
        "relative_population": 0.9684256047905657
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.01999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]