[
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    "molid": "mol37463",
    "smiles": "O=C(O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C[NH2+]CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO",
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        "smiles": "O=C(O)CNCC(=O)[C@@H]([OH2+])[C@H](O)[C@H](O)CO",
        "std_free_energy": 3.0024075508117676,
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        "id": "1_3",
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        "smiles": "O=C(O)C[NH2+]CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO",
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        "smiles": "O=C(O)CNCC(=O)[C@@H](O)[C@H]([OH2+])[C@H](O)CO",
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        "id": "1_6",
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        "smiles": "O=C(O)CNCC(=O)[C@@H](O)[C@H](O)[C@H]([OH2+])CO",
        "std_free_energy": 2.8935465812683105,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.72000002861023,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]