[
  {
    "molid": "mol36322",
    "smiles": "O=C(O)[C@@H]1CC[C@](C(=O)O)(c2ccccc2)c2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1CC[C@](C(=O)O)(c2ccccc2)c2ccccc21",
        "std_free_energy": -2.2281317710876465,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)[C@@H]1CC[C@](C(=O)[O-])(c2ccccc2)c2ccccc21",
        "std_free_energy": -9.1227388381958,
        "relative_population": 0.642800101026715
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1CC[C@](C(=O)O)(c2ccccc2)c2ccccc21",
        "std_free_energy": -8.535200119018555,
        "relative_population": 0.3571997224022683
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.92000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]