[
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    "microspecies": [
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        "smiles": "CC[NH+](CC)c1ccc2[nH+]c3c(C(N)=O)cc([O-])c(O)c3[o+]c2c1",
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        "id": "2_4",
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        "smiles": "CC[NH+](CC)c1ccc2nc3c(C(N)=O)cc(O)c(O)c3[o+]c2c1",
        "std_free_energy": 6.039442539215088,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.09999990463257,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]