[
  {
    "molid": "mol1789",
    "smiles": "O=C(O)c1c(O)ccc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1c(O)ccc2ccccc12",
        "std_free_energy": -2.5466971397399902,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1c(O)ccc2ccccc12",
        "std_free_energy": -11.638389587402344,
        "relative_population": 0.9999142765439939
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1c([O-])ccc2ccccc12",
        "std_free_energy": -1.269827127456665,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      },
      {
        "pka_value": 10.92,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.9200000762939,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]