[
  {
    "molid": "mol36123",
    "smiles": "O=C(O)CN(CC(=O)O)C1(C(=O)O)CCCCCC1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)CN(CC(=O)O)C1(C(=O)[O-])CCCCCC1",
        "std_free_energy": -6.755598545074463,
        "relative_population": 0.06288117259374416
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])C1(C(=O)O)CCCCCC1",
        "std_free_energy": -7.9521942138671875,
        "relative_population": 0.208063321749439
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CC(=O)O)C1(C(=O)[O-])CCCCCC1",
        "std_free_energy": -8.675338745117188,
        "relative_population": 0.4287984504707734
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      {
        "id": "-1_4",
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        "smiles": "O=C([O-])CN(CC(=O)O)C1(C(=O)O)CCCCCC1",
        "std_free_energy": -8.318990707397461,
        "relative_population": 0.3002570551860434
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      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])C1(C(=O)[O-])CCCCCC1",
        "std_free_energy": -15.125463485717773,
        "relative_population": 0.9899692665990988
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.60000002384186,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]