[
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    "molid": "mol15665",
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        "id": "2_1",
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        "smiles": "O=[N+]([O-])c1ccc(-n2[nH+][nH+]nc2/C=C/c2ccc(Cl)cc2)cc1",
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        "smiles": "O=[N+]([O-])c1ccc(-n2n[nH+][nH+]c2/C=C/c2ccc(Cl)cc2)cc1",
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      {
        "id": "2_3",
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        "smiles": "O=[N+]([O-])c1ccc(-n2[nH+]n[nH+]c2/C=C/c2ccc(Cl)cc2)cc1",
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    "macro_pka_values": [
      {
        "pka_value": -3.05,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]