[
  {
    "molid": "mol32728",
    "smiles": "O=C(C=NO)NCCN1CCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(C=NO)NCCN1CCOCC1",
        "std_free_energy": -6.9241943359375,
        "relative_population": 0.9899335284382413
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(C=NO)NCC[NH+]1CCOCC1",
        "std_free_energy": -6.4021897315979,
        "relative_population": 0.9931147514415144
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.1900001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.19000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]