[
  {
    "molid": "mol15201",
    "smiles": "C[Si](C)(C)OC1CN(Cc2ccc(F)cc2)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[Si](C)(C)OC1CN(Cc2ccc(F)cc2)C1",
        "std_free_energy": -4.1375908851623535,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[Si](C)(C)OC1C[NH+](Cc2ccc(F)cc2)C1",
        "std_free_energy": -7.37376594543457,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.91,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.9099998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.90999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]