[
  {
    "molid": "mol35596",
    "smiles": "CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccc(C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccc(C)cc1",
        "std_free_energy": -5.922232151031494,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(C(=O)[c-]2c(C)nn(-c3ccccc3)c2=O)cc1",
        "std_free_energy": -0.3234875202178955,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.01999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]