[
  {
    "molid": "mol8886",
    "smiles": "NNCC(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNCC(F)(F)F",
        "std_free_energy": -5.959831237792969,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N[NH2+]CC(F)(F)F",
        "std_free_energy": -1.3211387395858765,
        "relative_population": 0.5743020070032476
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]NCC(F)(F)F",
        "std_free_energy": -1.0217134952545166,
        "relative_population": 0.42569799299675243
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.38,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.38000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]