[
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    "molid": "mol35318",
    "smiles": "C/C(=N\\CCC/N=C(\\C)c1ccccc1O)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "C/C(=N\\CCC/[NH+]=C(\\C)c1ccccc1[O-])c1ccccc1O",
        "std_free_energy": -4.242745876312256,
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        "id": "0_2",
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        "smiles": "C/C(=N\\CCC/[NH+]=C(\\C)c1ccccc1O)c1ccccc1[O-]",
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        "smiles": "C/C(=N\\CCC/N=C(\\C)c1ccccc1O)c1ccccc1O",
        "std_free_energy": -4.855425834655762,
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        "id": "-1_2",
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        "smiles": "C/C(=N\\CCC/N=C(\\C)c1ccccc1O)c1ccccc1[O-]",
        "std_free_energy": 4.138262748718262,
        "relative_population": 0.9866091290182823
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    "macro_pka_values": [
      {
        "pka_value": 10.4899997711182,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]