[
  {
    "molid": "mol38068",
    "smiles": "OC(CSc1cccc(C(F)(F)F)c1)(CSc1cccc(C(F)(F)F)c1)c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC(CSc1cccc(C(F)(F)F)c1)(CSc1cccc(C(F)(F)F)c1)c1ccccn1",
        "std_free_energy": -7.048938274383545,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OC(CSc1cccc(C(F)(F)F)c1)(CSc1cccc(C(F)(F)F)c1)c1cccc[nH+]1",
        "std_free_energy": 0.2766048014163971,
        "relative_population": 0.9718488281702716
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.98000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]