[
  {
    "molid": "mol35246",
    "smiles": "NCC(O)(P(=O)(O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "[NH3+]CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]",
        "std_free_energy": -14.937237739562988,
        "relative_population": 0.9976950961638676
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        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+]CC(O)(P(=O)([O-])O)P(=O)([O-])O",
        "std_free_energy": -13.108902931213379,
        "relative_population": 0.8749060771313962
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        "id": "-1_4",
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        "smiles": "[NH3+]CC(O)(P(=O)([O-])[O-])P(=O)(O)O",
        "std_free_energy": -11.113790512084961,
        "relative_population": 0.11898579557208905
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      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[NH3+]CC(O)(P(=O)([O-])[O-])P(=O)([O-])O",
        "std_free_energy": -14.189980506896973,
        "relative_population": 0.9913705232815242
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.71999979019165,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.35999965667725,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]