[
  {
    "molid": "mol35536",
    "smiles": "Nc1ccc([As](=O)(O)O)cc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc([As](=O)(O)O)cc1N",
        "std_free_energy": -3.491584300994873,
        "relative_population": 0.2710537706329923
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1ccc([As](=O)([O-])O)cc1[NH3+]",
        "std_free_energy": -3.8170289993286133,
        "relative_population": 0.37531358948770316
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Nc1cc([As](=O)([O-])O)ccc1[NH3+]",
        "std_free_energy": -3.7575244903564453,
        "relative_population": 0.35363220573361764
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc([As](O)(O)=[OH+])cc1N",
        "std_free_energy": 5.030352592468262,
        "relative_population": 0.05829631992874515
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cc([As](=O)(O)O)ccc1[NH3+]",
        "std_free_energy": 3.2026054859161377,
        "relative_population": 0.3625948426279916
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Nc1ccc([As](=O)(O)O)cc1[NH3+]",
        "std_free_energy": 2.735727310180664,
        "relative_population": 0.5783413415315612
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]