[
  {
    "molid": "mol32675",
    "smiles": "Nc1cc(C=Cc2ccccc2)nc(C=Cc2ccccc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc(C=Cc2ccccc2)nc(C=Cc2ccccc2)c1",
        "std_free_energy": -3.771944999694824,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc(C=Cc2ccccc2)[nH+]c(C=Cc2ccccc2)c1",
        "std_free_energy": -8.49793529510498,
        "relative_population": 0.5561983158384165
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1cc(C=Cc2ccccc2)nc(C=Cc2ccccc2)c1",
        "std_free_energy": -8.272188186645508,
        "relative_population": 0.4438016841615836
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6000004,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]