[
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    "molid": "mol35554",
    "smiles": "Nc1nc(N)nc(NCCO)n1",
    "microspecies": [
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    "macro_pka_values": [
      {
        "pka_value": 8.84000015258789,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]