[
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    "molid": "mol38331",
    "smiles": "NCCCCN1CCNCCN(Cc2ccc(CN3CCNCCN(CCCCN)CCNCC3)cc2)CCNCC1",
    "microspecies": [
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        "id": "5_5",
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        "id": "5_6",
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        "id": "5_24",
        "charge": 5,
        "smiles": "NCCCCN1CCNCC[NH+](Cc2ccc(CN3CCNCC[NH+](CCCC[NH3+])CC[NH2+]CC3)cc2)CC[NH2+]CC1",
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        "id": "5_30",
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        "id": "5_32",
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        "smiles": "NCCCC[NH+]1CCNCCN(Cc2ccc(C[NH+]3CC[NH2+]CCN(CCCC[NH3+])CC[NH2+]CC3)cc2)CCNCC1",
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    "macro_pka_values": [
      {
        "pka_value": 7.40000009536743,
        "charge_state_pre": 5,
        "charge_state_post": 4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]