[
  {
    "molid": "mol38392",
    "smiles": "CNCN1C(=O)CC[C@H]1C(=O)NCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNCN1C(=O)CC[C@H]1C(=O)NCc1ccccc1",
        "std_free_energy": -5.421555995941162,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]CN1C(=O)CC[C@H]1C(=O)NCc1ccccc1",
        "std_free_energy": -7.817747592926025,
        "relative_population": 0.9963676343219385
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]