[
  {
    "molid": "mol36447",
    "smiles": "Cc1ccc(CCCC2C(=O)N(C)C(=O)N(C)C2=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(CCCC2C(=O)N(C)C(=O)N(C)C2=O)cc1",
        "std_free_energy": -5.933205604553223,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(CCC[c-]2c(=O)n(C)c(=O)n(C)c2=O)cc1",
        "std_free_energy": 2.691868305206299,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]