[
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    "molid": "mol32630",
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        "id": "2_1",
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        "smiles": "O=[N+]([O-])c1ccc(C=Cc2[nH+][nH+]nn2-c2ccc([N+](=O)[O-])cc2)cc1",
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        "id": "2_2",
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        "id": "2_3",
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        "smiles": "O=[N+]([O-])c1ccc(C=Cc2[nH+]n[nH+]n2-c2ccc([N+](=O)[O-])cc2)cc1",
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    "macro_pka_values": [
      {
        "pka_value": -3.1500001,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]