[
  {
    "molid": "mol7245",
    "smiles": "c1cnc(NC2CCCCC2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cnc(NC2CCCCC2)nc1",
        "std_free_energy": -7.282710552215576,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cnc(NC2CCCCC2)[nH+]c1",
        "std_free_energy": -1.4552457332611084,
        "relative_population": 0.4639538215277365
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cnc([NH2+]C2CCCCC2)nc1",
        "std_free_energy": -1.59968101978302,
        "relative_population": 0.5360461784722634
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.04,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]