[
  {
    "molid": "mol21296",
    "smiles": "CC1NC(NCC(F)(F)F)=Nc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1NC(NCC(F)(F)F)=Nc2ccccc21",
        "std_free_energy": -4.430415153503418,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1NC([N-]CC(F)(F)F)=Nc2ccccc21",
        "std_free_energy": 7.954536437988281,
        "relative_population": 0.9422769463942452
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H]1[N-]C(NCC(F)(F)F)=Nc2ccccc21",
        "std_free_energy": 10.74717903137207,
        "relative_population": 0.05772305360575482
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]