[
  {
    "molid": "mol26391",
    "smiles": "Clc1ccc2c(c1)CN=N2",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1ccc2c(c1)CN=[NH+]2",
        "std_free_energy": 5.879506587982178,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Clc1ccc2c(c1)C[NH+]=[NH+]2",
        "std_free_energy": 11.235563278198242,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -4.53,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]