[
  {
    "molid": "mol37255",
    "smiles": "C[C@@H](C(=O)O)N(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](C(=O)O)N(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N=O",
        "std_free_energy": -3.2730202674865723,
        "relative_population": 0.21292859844229406
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H](C(=O)[O-])[NH+](CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N=O",
        "std_free_energy": -4.580382347106934,
        "relative_population": 0.7870714015577059
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "C[C@@H](C(=O)[O-])N(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N=O",
        "std_free_energy": -10.073949813842773,
        "relative_population": 0.9977306565927159
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]