[
  {
    "molid": "mol37112",
    "smiles": "O=C(O)CNCC(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C[NH2+]CC(=O)NO",
        "std_free_energy": -10.621734619140625,
        "relative_population": 0.9991235046886138
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)C[NH2+]CC(=O)NO",
        "std_free_energy": 2.2920548915863037,
        "relative_population": 0.9414962058739399
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]