[
  {
    "molid": "mol38136",
    "smiles": "C[n+]1cccc2cc(NN)ccc21",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cccc2cc(NN)ccc21",
        "std_free_energy": -6.1601362228393555,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[n+]1cccc2cc([NH2+]N)ccc21",
        "std_free_energy": 2.8335835933685303,
        "relative_population": 0.47132613750014163
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C[n+]1cccc2cc(N[NH3+])ccc21",
        "std_free_energy": 2.718762159347534,
        "relative_population": 0.5286738624998584
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.11999988555908,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]