[
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    "molid": "mol37752",
    "smiles": "N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O",
    "microspecies": [
      {
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        "smiles": "[NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]",
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        "smiles": "[NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O",
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        "id": "-1_3",
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        "smiles": "N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]",
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        "id": "-2_2",
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        "smiles": "N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([O-])cc1)C(=O)[O-]",
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    "macro_pka_values": [
      {
        "pka_value": 3.23000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.0100002288818,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]