[
  {
    "molid": "mol34941",
    "smiles": "CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N[C]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N[C]1O",
        "std_free_energy": -6.422581195831299,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)[N-][C]1O",
        "std_free_energy": -1.1253668069839478,
        "relative_population": 0.9992788437359715
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]