[
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    "molid": "mol35661",
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    "microspecies": [
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      {
        "id": "-2_7",
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        "smiles": "CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc2c(c1)[NH+](c1ccc(S(=O)(=O)[O-])cc1)c1cc(Nc3ccc(N)cc3S(=O)(=O)[O-])ccc1N2",
        "std_free_energy": -9.487483024597168,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 4.90000009536743,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]