[
  {
    "molid": "mol34400",
    "smiles": "COc1ccc(NN=C(C(C)=O)C(C)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(NN=C(C(C)=O)C(C)=O)cc1",
        "std_free_energy": -6.787038803100586,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc([N-]N=C(C(C)=O)C(C)=O)cc1",
        "std_free_energy": 0.9084954261779785,
        "relative_population": 0.4307306018183001
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]C(=O)C(=NNc1ccc(OC)cc1)C(C)=O",
        "std_free_energy": 0.6296244859695435,
        "relative_population": 0.5692693981816999
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6499996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]