[
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    "molid": "mol32629",
    "smiles": "O=[N+]([O-])c1ccc(-n2nnnc2C=Cc2ccc(Cl)cc2)cc1",
    "microspecies": [
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        "std_free_energy": 17.684640884399414,
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        "id": "1_2",
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        "smiles": "O=[N+]([O-])c1ccc(-n2[nH+]nnc2C=Cc2ccc(Cl)cc2)cc1",
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        "id": "1_3",
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        "relative_population": 0.4824041353875526
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        "id": "2_1",
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        "smiles": "O=[N+]([O-])c1ccc(-n2[nH+]n[nH+]c2C=Cc2ccc(Cl)cc2)cc1",
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        "id": "2_2",
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        "smiles": "O=[N+]([O-])c1ccc(-n2n[nH+][nH+]c2C=Cc2ccc(Cl)cc2)cc1",
        "std_free_energy": 21.260025024414062,
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      {
        "id": "2_3",
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        "smiles": "O=[N+]([O-])c1ccc(-n2[nH+][nH+]nc2C=Cc2ccc(Cl)cc2)cc1",
        "std_free_energy": 21.201684951782227,
        "relative_population": 0.3279958806409496
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    ],
    "macro_pka_values": [
      {
        "pka_value": -3.05,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]