[
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    "molid": "mol37066",
    "smiles": "COc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N",
    "microspecies": [
      {
        "id": "0_1",
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        "std_free_energy": -5.049869537353516,
        "relative_population": 1.0
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        "id": "1_1",
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        "smiles": "COc1cc(OC)c(OC)cc1Cc1cnc(N)[nH+]c1N",
        "std_free_energy": -3.9786477088928223,
        "relative_population": 0.1463478810398887
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        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc(OC)c(OC)cc1Cc1cnc([NH3+])nc1N",
        "std_free_energy": -4.588143348693848,
        "relative_population": 0.2692074236550677
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        "id": "1_3",
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        "smiles": "COc1cc(OC)c(OC)cc1Cc1c[nH+]c(N)nc1N",
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        "relative_population": 0.3608532724182294
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      {
        "id": "1_4",
        "charge": 1,
        "smiles": "COc1cc(OC)c(OC)cc1Cc1cnc(N)nc1[NH3+]",
        "std_free_energy": -4.402481555938721,
        "relative_population": 0.22359142288681422
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.23999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]