[
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    "molid": "mol36898",
    "smiles": "ON=Cc1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1",
    "microspecies": [
      {
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        "charge": 0,
        "smiles": "[O-]N=Cc1ccc[n+]([CH-]CC[n+]2cccc(C=NO)c2)c1",
        "std_free_energy": 3.959392786026001,
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        "id": "0_2",
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        "smiles": "[O-]N=Cc1ccc[n+](CC[CH-][n+]2cccc(C=NO)c2)c1",
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        "id": "0_4",
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        "smiles": "[O-]N=Cc1ccc[n+](CCC[n+]2cccc(C=N[O-])c2)c1",
        "std_free_energy": 3.2238047122955322,
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        "id": "1_1",
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        "smiles": "[O-]N=Cc1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1",
        "std_free_energy": -3.707871675491333,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.73999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]