[
  {
    "molid": "mol11655",
    "smiles": "Oc1ccc(-c2ccc(O)cc2O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc(-c2ccc(O)cc2O)c(O)c1",
        "std_free_energy": -6.2324910163879395,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "[O-]c1ccc(-c2ccc(O)cc2[O-])c([O-])c1",
        "std_free_energy": 6.645871162414551,
        "relative_population": 0.1898038996638894
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "[O-]c1ccc(-c2ccc([O-])cc2O)c([O-])c1",
        "std_free_energy": 5.194586277008057,
        "relative_population": 0.8101961003361106
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(-c2ccc(O)cc2O)c(O)c1",
        "std_free_energy": -2.3130321502685547,
        "relative_population": 0.4789492424175462
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cc(O)ccc1-c1ccc(O)cc1O",
        "std_free_energy": -2.397284984588623,
        "relative_population": 0.5210507575824538
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-]c1ccc(-c2ccc(O)cc2[O-])c(O)c1",
        "std_free_energy": 1.2662690877914429,
        "relative_population": 0.1996117103933134
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "[O-]c1ccc(-c2ccc([O-])cc2O)c(O)c1",
        "std_free_energy": -0.010075964033603668,
        "relative_population": 0.7153121946615748
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.88000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.1,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]