[
  {
    "molid": "mol32653",
    "smiles": "Nc1cc(C=Cc2ccccc2)nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc(C=Cc2ccccc2)nc2ccccc12",
        "std_free_energy": -3.6019105911254883,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc(C=Cc2ccccc2)[nH+]c2ccccc12",
        "std_free_energy": -9.52275562286377,
        "relative_population": 0.5323942686423442
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1cc(C=Cc2ccccc2)nc2ccccc12",
        "std_free_energy": -9.392996788024902,
        "relative_population": 0.46760573135765576
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3000002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]