[
  {
    "molid": "mol35425",
    "smiles": "CCCN(CCC)C(=O)C(=NO)C(C)=NO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCN(CCC)C(=O)C(=NO)C(C)=N[O-]",
        "std_free_energy": -1.297149896621704,
        "relative_population": 0.2862272043896106
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCN(CCC)C(=O)C(=N[O-])C(C)=NO",
        "std_free_energy": -2.2109286785125732,
        "relative_population": 0.7137727956103895
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCCN(CCC)C(=O)C(=N[O-])C(C)=N[O-]",
        "std_free_energy": 12.331258773803711,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]