[
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    "molid": "mol38323",
    "smiles": "CN(C)CCCNCc1cc(CNCCCN(C)C)[nH]n1",
    "microspecies": [
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        "smiles": "C[NH+](C)CCCNCc1cc(C[NH2+]CCC[NH+](C)C)n[nH]1",
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        "smiles": "CN(C)CCC[NH2+]Cc1cc(C[NH2+]CCC[NH+](C)C)n[nH]1",
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        "smiles": "C[NH+](C)CCCNCc1cc(C[NH2+]CCC[NH+](C)C)[nH]n1",
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        "id": "4_5",
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        "smiles": "C[NH+](C)CCC[NH2+]Cc1cc(C[NH2+]CCC[NH+](C)C)[nH]n1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.73000001907349,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]