[
  {
    "molid": "mol33601",
    "smiles": "NNc1ccc2ccccc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNc1ccc2ccccc2c1",
        "std_free_energy": -5.409721374511719,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Nc1ccc2ccccc2c1",
        "std_free_energy": -1.8142290115356445,
        "relative_population": 0.6192499055307223
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[NH2+]c1ccc2ccccc2c1",
        "std_free_energy": -1.327863335609436,
        "relative_population": 0.38075009446927766
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.06,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]