[
  {
    "molid": "mol38156",
    "smiles": "CC12CN3CC(C)(C1)C(=O)C(C)(C3)C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]12CN3C[C@](C)(C1)C(=O)[C@@](C)(C3)C2=O",
        "std_free_energy": -5.26222038269043,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@]12C[NH+]3C[C@](C)(C1)C(=O)[C@@](C)(C3)C2=O",
        "std_free_energy": -5.485045433044434,
        "relative_population": 0.9603833186087678
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]