[
  {
    "molid": "mol38416",
    "smiles": "OC(CNC1CCCC1)CON=C(C1CC1)C1CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@@H](CNC1CCCC1)CON=C(C1CC1)C1CC1",
        "std_free_energy": -2.405714988708496,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[C@@H](C[NH2+]C1CCCC1)CON=C(C1CC1)C1CC1",
        "std_free_energy": -9.016135215759277,
        "relative_population": 0.9681532275102288
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]