[
  {
    "molid": "mol38135",
    "smiles": "C[n+]1cccc2c(NN)cccc21",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cccc2c(NN)cccc21",
        "std_free_energy": -6.458453178405762,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[n+]1cccc2c(N[NH3+])cccc21",
        "std_free_energy": 2.7924537658691406,
        "relative_population": 0.6163588681705133
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C[n+]1cccc2c([NH2+]N)cccc21",
        "std_free_energy": 3.266575574874878,
        "relative_population": 0.38364113182948667
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.25,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]