[
  {
    "molid": "mol34392",
    "smiles": "COc1ccc(NC(=O)/C=C\\C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(NC(=O)/C=C\\C(=O)O)cc1",
        "std_free_energy": -3.595585823059082,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(NC(=O)/C=C\\C(=O)[O-])cc1",
        "std_free_energy": -10.214277267456055,
        "relative_population": 0.999998668627712
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.07999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.03000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]