[
  {
    "molid": "mol37805",
    "smiles": "CC(=O)N[C@@H]1CC[C@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N[C@@H]1CC[C@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO",
        "std_free_energy": -2.8143117427825928,
        "relative_population": 1.0
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "CC(=O)N[C@@H]1CC[C@](O)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO",
        "std_free_energy": -10.631392478942871,
        "relative_population": 0.9997877635963526
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]