[
  {
    "molid": "mol38432",
    "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": -6.466156005859375,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O[C@H](C[NH2+]c1ccccc1)CON=C(C1CC1)C1CC1",
        "std_free_energy": -0.7678847312927246,
        "relative_population": 0.4785854026389151
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[C@H](CNc1ccccc1)CO[NH+]=C(C1CC1)C1CC1",
        "std_free_energy": -0.729580283164978,
        "relative_population": 0.460600110252532
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[OH2+][C@H](CNc1ccccc1)CON=C(C1CC1)C1CC1",
        "std_free_energy": 1.2951219081878662,
        "relative_population": 0.06081448710855284
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]