[
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    "molid": "mol37708",
    "smiles": "NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "NCCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]",
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        "relative_population": 0.14436487810422952
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        "id": "0_6",
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        "smiles": "N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]",
        "std_free_energy": -11.472797393798828,
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        "id": "-1_1",
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        "id": "-1_2",
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        "smiles": "NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]",
        "std_free_energy": -4.2346367835998535,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 9.81999969482422,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.78999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]