[
  {
    "molid": "mol35169",
    "smiles": "CCC1=C(C)C(=O)N/C1=C\\c1[nH]c(C)c(CC(=O)O)c1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC1=C(C)C(=O)N/C1=C\\c1[nH]c(C)c(CC(=O)O)c1C",
        "std_free_energy": -4.719916343688965,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCC1=C(C)C(=O)N/C1=C\\c1[nH]c(C)c(CC(=O)[O-])c1C",
        "std_free_energy": -8.937049865722656,
        "relative_population": 0.9999660913825642
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.48999977111816,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]