[
  {
    "molid": "mol38127",
    "smiles": "OC(CNCc1ccccc1)CON=C(C1CC1)C1CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@@H](CNCc1ccccc1)CON=C(C1CC1)C1CC1",
        "std_free_energy": -3.6174840927124023,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O[C@@H](C[NH2+]Cc1ccccc1)CON=C(C1CC1)C1CC1",
        "std_free_energy": -8.374007225036621,
        "relative_population": 0.9650737892357153
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]