[
  {
    "molid": "mol12667",
    "smiles": "CC(N)(C(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]([NH3+])(C(=O)[O-])c1ccccc1",
        "std_free_energy": -12.189692497253418,
        "relative_population": 0.9999801159278361
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@](N)(C(=O)[O-])c1ccccc1",
        "std_free_energy": -6.363741397857666,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]