[
  {
    "molid": "mol38599",
    "smiles": "O=C1CC(=O)C(c2ccccc2)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC(=O)[C@@H](c2ccccc2)O1",
        "std_free_energy": -2.749553918838501,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[CH-]C(=O)[C@@H](c2ccccc2)O1",
        "std_free_energy": -7.395106792449951,
        "relative_population": 0.07642286096567671
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CC(=O)[C-](c2ccccc2)O1",
        "std_free_energy": -9.887079238891602,
        "relative_population": 0.9235771390343233
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.3199999332428,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]