[
  {
    "molid": "mol34841",
    "smiles": "COc1cccc(NN=C(C(C)=O)C(C)=O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(NN=C(C(C)=O)C(C)=O)c1",
        "std_free_energy": -6.6963419914245605,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cccc([N-]N=C(C(C)=O)C(C)=O)c1",
        "std_free_energy": 0.458621621131897,
        "relative_population": 0.3628538758062189
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]C(=O)C(=NNc1cccc(OC)c1)C(C)=O",
        "std_free_energy": -0.10437719523906708,
        "relative_population": 0.637146124193781
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.539999961853,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]