[
  {
    "molid": "mol35317",
    "smiles": "C/C(=C(\\CC(=O)O)C(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(=C(\\CC(=O)[O-])C(=O)O)c1ccccc1",
        "std_free_energy": -9.181242942810059,
        "relative_population": 0.5244938613554071
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C/C(=C(\\CC(=O)O)C(=O)[O-])c1ccccc1",
        "std_free_energy": -9.083189010620117,
        "relative_population": 0.47550613864459285
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C/C(=C(\\CC(=O)[O-])C(=O)[O-])c1ccccc1",
        "std_free_energy": -10.450504302978516,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.65000009536743,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]