[
  {
    "molid": "mol35767",
    "smiles": "O=C1N/C(=C\\CCC2CCCCC2)C(=O)N1c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1N/C(=C\\CCC2CCCCC2)C(=O)N1c1ccccc1",
        "std_free_energy": -6.046684265136719,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-]/C(=C\\CCC2CCCCC2)C(=O)N1c1ccccc1",
        "std_free_energy": -0.8398223519325256,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.5100002288818,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]