[
  {
    "molid": "mol25047",
    "smiles": "Nc1cccc(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc(N)n1",
        "std_free_energy": -4.873522758483887,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cccc(N)[nH+]1",
        "std_free_energy": -7.047577381134033,
        "relative_population": 0.711430220485004
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc([NH3+])n1",
        "std_free_energy": -6.145236968994141,
        "relative_population": 0.28856977951499607
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.09000015258789,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]