[
  {
    "molid": "mol37691",
    "smiles": "N[C@@H](C(=O)O)[C@@H](O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@@H](C(=O)[O-])[C@@H](O)c1ccccc1",
        "std_free_energy": -12.226325035095215,
        "relative_population": 0.9999465266874945
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1",
        "std_free_energy": -7.297877311706543,
        "relative_population": 0.9999998657231985
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85999965667725,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]