[
  {
    "molid": "mol37374",
    "smiles": "Oc1c(CN2CCCCCC2)cc(CN2CCCCCC2)c(O)c1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(CN2CCCCCC2)cc(C[NH+]2CCCCCC2)c(O)c1[O-]",
        "std_free_energy": 5.215118885040283,
        "relative_population": 0.05942155329424668
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        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1c(C[NH+]2CCCCCC2)cc(C[NH+]2CCCCCC2)c([O-])c1[O-]",
        "std_free_energy": 2.838343620300293,
        "relative_population": 0.6399770237802435
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        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1c(CN2CCCCCC2)cc(CN2CCCCCC2)c(O)c1O",
        "std_free_energy": 4.773043632507324,
        "relative_population": 0.09245594521851815
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        "id": "-1_5",
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        "smiles": "[O-]c1c(C[NH+]2CCCCCC2)cc(CN2CCCCCC2)c(O)c1[O-]",
        "std_free_energy": 4.424840927124023,
        "relative_population": 0.13096563604764394
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      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1c(CN2CCCCCC2)cc(C[NH+]2CCCCCC2)c([O-])c1[O-]",
        "std_free_energy": 8.683025360107422,
        "relative_population": 0.9966484438491819
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.960000038147,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]