[
  {
    "molid": "mol7928",
    "smiles": "FC(F)(F)c1cccc2cncnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "FC(F)(F)c1cccc2cncnc12",
        "std_free_energy": -7.555033206939697,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "FC(F)(F)c1cccc2cnc[nH+]c12",
        "std_free_energy": 3.773531675338745,
        "relative_population": 0.6594655028296474
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "FC(F)(F)c1cccc2c[nH+]cnc12",
        "std_free_energy": 4.434444904327393,
        "relative_population": 0.34053449717035256
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.38000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.38,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]