[
  {
    "molid": "mol37361",
    "smiles": "O=C(O)C1CCC(=N\\O)/C(=N/O)C1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)[C@H]1CCC(=N\\O)/C(=N/O)C1",
        "std_free_energy": -4.804112434387207,
        "relative_population": 0.982673649882998
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H]1CCC(=N\\O)/C(=N/O)C1",
        "std_free_energy": -10.204805374145508,
        "relative_population": 0.999646100651706
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.84999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]