[
  {
    "molid": "mol38080",
    "smiles": "OC(CNC1CCCCC1)CON=C(C1CC1)C1CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@H](CNC1CCCCC1)CON=C(C1CC1)C1CC1",
        "std_free_energy": -2.5192904472351074,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[C@H](C[NH2+]C1CCCCC1)CON=C(C1CC1)C1CC1",
        "std_free_energy": -9.080401420593262,
        "relative_population": 0.964185332205612
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]