[
  {
    "molid": "mol34727",
    "smiles": "CC(=O)N[C@H]1c2nc(CC(=O)O)cn2[C@H](CO)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=O)N[C@H]1c2[nH+]c(CC(=O)[O-])cn2[C@H](CO)[C@@H](O)[C@@H]1O",
        "std_free_energy": -9.049895286560059,
        "relative_population": 0.9885762449984167
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)N[C@H]1c2nc(CC(=O)[O-])cn2[C@H](CO)[C@@H](O)[C@@H]1O",
        "std_free_energy": -9.817545890808105,
        "relative_population": 0.9999761183942019
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.32000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]