[
  {
    "molid": "mol38089",
    "smiles": "C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc([O-])c21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc([O-])c21",
        "std_free_energy": -5.150722026824951,
        "relative_population": 0.9999654831598069
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc([NH3+])nc([O-])c21",
        "std_free_energy": 5.136806488037109,
        "relative_population": 0.9772832825017823
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.01000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]