[
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    "molid": "mol33244",
    "smiles": "O=C(O)c1ccc(C(=O)O)nc1",
    "microspecies": [
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        "relative_population": 0.29170615541769884
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        "std_free_energy": -15.91633415222168,
        "relative_population": 1.0
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.30999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.12,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]