[
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    "molid": "mol37062",
    "smiles": "COc1cc(Cc2cnc(N)nc2N)cc(OCc2ccccc2)c1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(Cc2cnc(N)nc2N)cc(OCc2ccccc2)c1OC",
        "std_free_energy": -4.9302825927734375,
        "relative_population": 1.0
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        "id": "1_1",
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        "smiles": "COc1cc(Cc2c[nH+]c(N)nc2N)cc(OCc2ccccc2)c1OC",
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        "id": "1_2",
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        "smiles": "COc1cc(Cc2cnc(N)[nH+]c2N)cc(OCc2ccccc2)c1OC",
        "std_free_energy": -3.6502416133880615,
        "relative_population": 0.12430660147027503
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        "id": "1_3",
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        "smiles": "COc1cc(Cc2cnc(N)nc2[NH3+])cc(OCc2ccccc2)c1OC",
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        "id": "1_4",
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        "smiles": "COc1cc(Cc2cnc([NH3+])nc2N)cc(OCc2ccccc2)c1OC",
        "std_free_energy": -4.415574073791504,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.15000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]