[
  {
    "molid": "mol36274",
    "smiles": "N#CC(C#N)c1ccc(C(C#N)C#N)c(C(F)(F)F)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#C[C-](C#N)c1ccc(C(C#N)C#N)cc1C(F)(F)F",
        "std_free_energy": -5.368273735046387,
        "relative_population": 0.4196532936410694
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N#C[C-](C#N)c1ccc(C(C#N)C#N)c(C(F)(F)F)c1",
        "std_free_energy": -5.692470550537109,
        "relative_population": 0.5803467063589306
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N#C[C-](C#N)c1ccc([C-](C#N)C#N)c(C(F)(F)F)c1",
        "std_free_energy": 3.9079227447509766,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.30000019073486,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]