[
  {
    "molid": "mol36460",
    "smiles": "CC(=O)N(C(C)=O)C1=NC(=O)CN1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N(C(C)=O)C1=NC(=O)CN1C",
        "std_free_energy": -6.49528694152832,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=O)N(C(C)=O)C1=[NH+]C(=O)CN1C",
        "std_free_energy": 2.7725672721862793,
        "relative_population": 0.9938736471321276
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.89999997615814,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]