[
  {
    "molid": "mol37517",
    "smiles": "Oc1ccc(N=CC=CC=CNc2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_3",
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        "smiles": "[O-]c1ccc(NC=CC=CC=[NH+]c2ccc(O)cc2)cc1",
        "std_free_energy": -2.4027607440948486,
        "relative_population": 0.07979776544786604
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        "smiles": "Oc1ccc(N=CC=CC=CNc2ccc(O)cc2)cc1",
        "std_free_energy": -4.408696174621582,
        "relative_population": 0.5931402810659028
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        "id": "0_5",
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        "smiles": "[O-]c1ccc([NH+]=CC=CC=CNc2ccc(O)cc2)cc1",
        "std_free_energy": -3.712510585784912,
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        "id": "-1_2",
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        "smiles": "[O-]c1ccc(NC=CC=CC=Nc2ccc(O)cc2)cc1",
        "std_free_energy": 3.7310643196105957,
        "relative_population": 0.39148990228459274
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        "id": "-1_4",
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        "smiles": "[O-]c1ccc(N=CC=CC=CNc2ccc(O)cc2)cc1",
        "std_free_energy": 3.3294103145599365,
        "relative_population": 0.585001100117234
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]