[
  {
    "molid": "mol34936",
    "smiles": "CC1=C(C)/C(=C(\\C)C(=O)O)CC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=C(C)/C(=C(\\C)C(=O)O)CC1=O",
        "std_free_energy": -1.5252048969268799,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC1=C(C)/C(=C(\\C)C(=O)[O-])CC1=O",
        "std_free_energy": -10.139264106750488,
        "relative_population": 0.9984817342591624
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]