[
  {
    "molid": "mol33115",
    "smiles": "O=[As](O)(O)CCCCl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[As](O)(O)CCCCl",
        "std_free_energy": -2.5615286827087402,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[As]([O-])(O)CCCCl",
        "std_free_energy": -10.059839248657227,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[As]([O-])([O-])CCCCl",
        "std_free_energy": -8.704158782958984,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.93,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.63000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.52999973297119,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]