[
  {
    "molid": "mol35773",
    "smiles": "O=C1OC(c2ccccc2)=NC1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1OC(c2ccccc2)=N[C@@H]1Cc1ccccc1",
        "std_free_energy": -6.184142112731934,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.72000026702881,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]