[
  {
    "molid": "mol9745",
    "smiles": "O=[As](O)(O)c1ccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[As](O)(O)c1ccc(O)cc1O",
        "std_free_energy": -2.9293553829193115,
        "relative_population": 1.0
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=[As]([O-])([O-])c1ccc(O)cc1[O-]",
        "std_free_energy": -1.3994503021240234,
        "relative_population": 0.278324886147672
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=[As]([O-])([O-])c1ccc([O-])cc1O",
        "std_free_energy": -2.3520922660827637,
        "relative_population": 0.7215711955747247
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[As]([O-])(O)c1ccc(O)cc1O",
        "std_free_energy": -9.195974349975586,
        "relative_population": 0.9957468047696464
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=[As]([O-])([O-])c1ccc(O)cc1O",
        "std_free_energy": -8.169973373413086,
        "relative_population": 0.9817160831781151
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.11,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.98,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.82,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]