[
  {
    "molid": "mol34006",
    "smiles": "Oc1cccc(CN2CCOCC2)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1c(O)cccc1C[NH+]1CCOCC1",
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        "relative_population": 0.06808588584205061
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        "smiles": "[O-]c1cccc(C[NH+]2CCOCC2)c1O",
        "std_free_energy": -3.6390933990478516,
        "relative_population": 0.09918164513668855
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      {
        "id": "0_3",
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        "smiles": "Oc1cccc(CN2CCOCC2)c1O",
        "std_free_energy": -5.766852855682373,
        "relative_population": 0.8327324690212609
      },
      {
        "id": "-1_1",
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        "smiles": "[O-]c1cccc(CN2CCOCC2)c1O",
        "std_free_energy": 0.32421165704727173,
        "relative_population": 0.7431900554845999
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      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1c(O)cccc1CN1CCOCC1",
        "std_free_energy": 1.3880672454833984,
        "relative_population": 0.25649167765680736
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1400003433228,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]