[
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    "molid": "mol35566",
    "smiles": "Cc1ccc(N=Cc2cccc([N+](=O)[O-])c2O)nc1",
    "microspecies": [
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        "smiles": "Cc1ccc([NH+]=Cc2cccc([N+](=O)[O-])c2[O-])nc1",
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        "smiles": "Cc1ccc([NH+]=Cc2cccc([N+](=O)[O-])c2O)nc1",
        "std_free_energy": 2.2181074619293213,
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    "macro_pka_values": [
      {
        "pka_value": 6.23400020599365,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]