[
  {
    "molid": "mol34743",
    "smiles": "CC(=O)/C=C(\\O)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)/C=C(\\O)C(F)(F)F",
        "std_free_energy": -2.2616052627563477,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)/C=C(\\[O-])C(F)(F)F",
        "std_free_energy": -4.340416431427002,
        "relative_population": 0.9659692670177338
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.85999989509583,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]