[
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    "molid": "mol37168",
    "smiles": "O=P(O)(O)Cc1ccc(C(F)P(=O)(O)O)cc1",
    "microspecies": [
      {
        "id": "-4_3",
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        "smiles": "O=P([O-])([O-])Cc1ccc([C@@H](F)P(=O)([O-])[O-])cc1",
        "std_free_energy": -13.554960250854492,
        "relative_population": 0.9999889593920288
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        "smiles": "O=P([O-])([O-])Cc1ccc([C@@H](F)P(=O)([O-])O)cc1",
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        "relative_population": 0.5373088315118132
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        "id": "-3_9",
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        "smiles": "O=P([O-])(O)Cc1ccc([C@@H](F)P(=O)([O-])[O-])cc1",
        "std_free_energy": -13.920578002929688,
        "relative_population": 0.462666008742085
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        "id": "-2_3",
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        "smiles": "O=P(O)(O)Cc1ccc([C@@H](F)P(=O)([O-])[O-])cc1",
        "std_free_energy": -11.315343856811523,
        "relative_population": 0.09929066274157873
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        "id": "-2_8",
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        "smiles": "O=P([O-])(O)Cc1ccc([C@@H](F)P(=O)([O-])O)cc1",
        "std_free_energy": -13.464937210083008,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.71999979019165,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]