[
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        "id": "2_7",
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        "id": "2_8",
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        "smiles": "O=[N+]([O-])c1ccc([NH2+]c2nc(NCc3ccccc3)[nH+]c(NCc3ccccc3)n2)cc1",
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        "id": "2_9",
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    "macro_pka_values": [
      {
        "pka_value": 2.88,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]