[
  {
    "molid": "mol26726",
    "smiles": "c1ccc2c(NC3CCCCC3)c3ccccc3nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc2c(NC3CCCCC3)c3ccccc3nc2c1",
        "std_free_energy": -3.4808406829833984,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc2c([NH2+]C3CCCCC3)c3ccccc3nc2c1",
        "std_free_energy": -8.91897964477539,
        "relative_population": 0.3953370555692803
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc2c(NC3CCCCC3)c3ccccc3[nH+]c2c1",
        "std_free_energy": -9.343912124633789,
        "relative_population": 0.6046629444307197
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]