[
  {
    "molid": "mol37023",
    "smiles": "C[N+]1(C)CC(=O)CC(=O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+]1(C)[CH-]C(=O)CC(=O)C1",
        "std_free_energy": -7.79638147354126,
        "relative_population": 0.8610747112925674
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[N+]1(C)CC(=O)[CH-]C(=O)C1",
        "std_free_energy": -5.972136497497559,
        "relative_population": 0.13892528870743256
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+]1(C)CC(=O)CC(=O)C1",
        "std_free_energy": -2.2779884338378906,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.62000000476837,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]