[
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    "molid": "mol35497",
    "smiles": "N[C@@H]1c2nccn2[C@H](CO)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[C@@H]1c2nccn2[C@H](CO)[C@@H](O)[C@@H]1O",
        "std_free_energy": -5.478377342224121,
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        "id": "1_3",
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        "smiles": "[NH3+][C@@H]1c2nccn2[C@H](CO)[C@@H](O)[C@@H]1O",
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        "id": "1_4",
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        "smiles": "N[C@@H]1c2[nH+]ccn2[C@H](CO)[C@@H](O)[C@@H]1O",
        "std_free_energy": -6.599286079406738,
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    "macro_pka_values": [
      {
        "pka_value": 7.01999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]