[
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        "id": "3_4",
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        "smiles": "O=[N+]([O-])c1ccc[nH+]c1[NH2+]N=C(c1ccccn1)c1cccc[nH+]1",
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        "id": "3_5",
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        "smiles": "O=[N+]([O-])c1cccnc1[NH2+]N=C(c1cccc[nH+]1)c1cccc[nH+]1",
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        "id": "3_7",
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        "smiles": "O=[N+]([O-])c1ccc[nH+]c1[NH2+][NH+]=C(c1ccccn1)c1ccccn1",
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    "macro_pka_values": [
      {
        "pka_value": 0.519999980926514,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      }
    ]
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]