[
  {
    "molid": "mol3146",
    "smiles": "NCCOP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CCOP(=O)([O-])O",
        "std_free_energy": -10.42120361328125,
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        "id": "1_1",
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      {
        "id": "-1_1",
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        "std_free_energy": -14.096375465393066,
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        "id": "-2_1",
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        "smiles": "NCCOP(=O)([O-])[O-]",
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        "relative_population": 1.0
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    ],
    "macro_pka_values": [
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        "pka_value": 5.837,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.832,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.831,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.833,
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 5.838,
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 5.845,
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 5.853,
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        "data_source": "IUPAC digitized pKa"
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        "pka_value": 5.865,
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 5.879,
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 5.891,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.77,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.57,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.8,
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        "data_source": "OCHEM"
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        "data_source": "QSARToolbox"
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        "data_source": "QSARToolbox"
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        "pka_value": 5.85300016403198,
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        "pka_value": 1.63999998569489,
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        "pka_value": 1.0,
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        "pka_value": 1.63800001144409,
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        "pka_value": 10.89,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.23,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.92,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.638,
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        "data_source": "IUPAC digitized pKa"
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      {
        "pka_value": 10.379,
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 10.137,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.26,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.13,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.33,
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        "data_source": "OCHEM"
      },
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        "pka_value": 10.8900003433228,
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        "data_source": "QSARToolbox"
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]