[
  {
    "molid": "mol3159",
    "smiles": "CN(C)N=C(N)C(F)(F)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)N=C(N)C(F)(F)C(F)(F)F",
        "std_free_energy": -6.659094333648682,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)[NH+]=C(N)C(F)(F)C(F)(F)F",
        "std_free_energy": 5.955772399902344,
        "relative_population": 0.2004580795628699
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)N=C(N)C(F)(F)C(F)(F)F",
        "std_free_energy": 4.572338581085205,
        "relative_population": 0.79954192043713
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.85999989509583,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]