[
  {
    "molid": "mol32788",
    "smiles": "Nc1ccc2nc(C=Cc3ccccc3)ccc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc2nc(C=Cc3ccccc3)ccc2c1",
        "std_free_energy": -5.8115692138671875,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc2[nH+]c(C=Cc3ccccc3)ccc2c1",
        "std_free_energy": -2.8897745609283447,
        "relative_population": 0.5705119788184577
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1ccc2nc(C=Cc3ccccc3)ccc2c1",
        "std_free_energy": -2.6058342456817627,
        "relative_population": 0.4294880211815422
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]