[
  {
    "molid": "mol36539",
    "smiles": "CNC(C)C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN[C@@H](C)C(N)=O",
        "std_free_energy": -4.441224098205566,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+][C@@H](C)C(N)=O",
        "std_free_energy": -9.046692848205566,
        "relative_population": 0.9999714906180307
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.94999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]