[
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    "molid": "mol34029",
    "smiles": "COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC",
    "microspecies": [
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]