[
  {
    "molid": "mol38180",
    "smiles": "CN(Cc1ccccc1)Cc1ccccc1B(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](Cc1ccccc1)Cc1ccccc1B([O-])O",
        "std_free_energy": -9.805688858032227,
        "relative_population": 0.998885771427017
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](Cc1ccccc1)Cc1ccccc1B(O)O",
        "std_free_energy": -2.8854992389678955,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]