[
  {
    "molid": "mol35746",
    "smiles": "O=C1CC(=O)N(c2ccccc2)C(=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC(=O)N(c2ccccc2)C(=O)N1",
        "std_free_energy": -3.9836819171905518,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CC(=O)N(c2ccccc2)C(=O)[N-]1",
        "std_free_energy": -5.772154808044434,
        "relative_population": 0.42506781259863946
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[cH-]c(=O)n(-c2ccccc2)c(=O)[nH]1",
        "std_free_energy": -6.074158191680908,
        "relative_population": 0.5749321874013607
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.84999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]