[
  {
    "molid": "mol36241",
    "smiles": "CC(=NO)C(=O)NCCCN(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=NO)C(=O)NCCCN(C)C",
        "std_free_energy": -3.7086780071258545,
        "relative_population": 0.5044671896538855
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=N[O-])C(=O)NCCC[NH+](C)C",
        "std_free_energy": -3.6908087730407715,
        "relative_population": 0.4955328103461145
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC(=NO)C(=O)NCCC[NH+](C)C",
        "std_free_energy": -9.458327293395996,
        "relative_population": 0.9739106830127856
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.13000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]