[
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    "molid": "mol35822",
    "smiles": "CC(=NO)C(=NO)C(=O)Nc1ccccc1C",
    "microspecies": [
      {
        "id": "-1_1",
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        "smiles": "CC(=N[O-])C(=NO)C(=O)Nc1ccccc1C",
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        "id": "-2_1",
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        "id": "-2_2",
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        "smiles": "CC(=N[O-])C(=NO)C(=O)[N-]c1ccccc1C",
        "std_free_energy": 6.887833118438721,
        "relative_population": 0.48705890197076035
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        "id": "-2_3",
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        "smiles": "CC(=NO)C(=N[O-])C(=O)[N-]c1ccccc1C",
        "std_free_energy": 7.08003044128418,
        "relative_population": 0.40189374651420773
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.25,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]