[
  {
    "molid": "mol24080",
    "smiles": "Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1",
        "std_free_energy": -5.757227897644043,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1",
        "std_free_energy": 2.610966205596924,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.69000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]