[
  {
    "molid": "mol33901",
    "smiles": "Nc1cc([As](=O)(O)O)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]c1cc([As](=O)([O-])O)ccc1O",
        "std_free_energy": -2.4260687828063965,
        "relative_population": 0.2993284062293601
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Nc1cc([As](=O)(O)O)ccc1O",
        "std_free_energy": -3.2764899730682373,
        "relative_population": 0.7006177945823896
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1cc([As](=O)([O-])O)ccc1O",
        "std_free_energy": -8.569457054138184,
        "relative_population": 0.9980642976098967
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.80000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]