[
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    "molid": "mol35710",
    "smiles": "Nc1nc(N)nc(NCc2ccccc2)n1",
    "microspecies": [
      {
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        "smiles": "Nc1nc([NH3+])nc(NCc2ccccc2)n1",
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        "smiles": "Nc1nc(NCc2ccccc2)nc(N)[nH+]1",
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        "id": "1_4",
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        "smiles": "Nc1nc(N)nc([NH2+]Cc2ccccc2)n1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]