[
  {
    "molid": "mol34394",
    "smiles": "COc1ccc(NC(O)=CC(C)=O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc(NC(O)=CC(C)=O)cc1",
        "std_free_energy": -6.484839916229248,
        "relative_population": 0.9999990710480008
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(NC([O-])=CC(C)=O)cc1",
        "std_free_energy": -2.197006940841675,
        "relative_population": 0.9974111537454177
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.210000038147,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]