[
  {
    "molid": "mol36347",
    "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": -2.0665202140808105,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H]1CC[C@](C(=O)O)(c2ccccc2)c2ccccc21",
        "std_free_energy": -8.569238662719727,
        "relative_population": 0.38387352873225894
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(O)[C@H]1CC[C@](C(=O)[O-])(c2ccccc2)c2ccccc21",
        "std_free_energy": -9.042377471923828,
        "relative_population": 0.6161262878616655
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.07000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]