[
  {
    "molid": "mol24736",
    "smiles": "C/C(=N\\N)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N\\N)c1ccccc1",
        "std_free_energy": -4.527813911437988,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C/C(=[NH+]\\N)c1ccccc1",
        "std_free_energy": -3.1647350788116455,
        "relative_population": 0.7258347939855531
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C/C(=N\\[NH3+])c1ccccc1",
        "std_free_energy": -2.19114351272583,
        "relative_population": 0.2741652060144468
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]