[
  {
    "molid": "mol35853",
    "smiles": "CCOC(=O)/C1=C/N(Cc2ccccc2)CCc2[nH]c(C(=O)C(F)(F)F)cc2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)/C1=C\\N(Cc2ccccc2)CCc2[nH]c(C(=O)C(F)(F)F)cc2C1",
        "std_free_energy": -6.323904991149902,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)/C1=C\\N(Cc2ccccc2)CCc2[n-]c(C(=O)C(F)(F)F)cc2C1",
        "std_free_energy": 4.3728132247924805,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.28999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]