[
  {
    "molid": "mol24753",
    "smiles": "CC(Cc1ccccc1)NN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](Cc1ccccc1)NN",
        "std_free_energy": -3.7198781967163086,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](Cc1ccccc1)[NH2+]N",
        "std_free_energy": -5.596371173858643,
        "relative_population": 0.6602510043167176
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@@H](Cc1ccccc1)N[NH3+]",
        "std_free_energy": -4.931958198547363,
        "relative_population": 0.3397489956832823
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.26,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]