[
  {
    "molid": "mol36585",
    "smiles": "NC(=O)N(CC(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)N(CC(=O)O)c1ccccc1",
        "std_free_energy": -3.3708505630493164,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)N(CC(=O)[O-])c1ccccc1",
        "std_free_energy": -11.56910514831543,
        "relative_population": 0.9999999966113569
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.75999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]