[
  {
    "molid": "mol2941",
    "smiles": "Clc1ccc2c(c1)N=C(N1CCCCC1)c1ccccc1N2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc2c(c1)N=C(N1CCCCC1)c1ccccc1N2",
        "std_free_energy": -4.4981255531311035,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1ccc2c(c1)[NH+]=C(N1CCCCC1)c1ccccc1N2",
        "std_free_energy": -7.7261643409729,
        "relative_population": 0.9080447700199892
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1ccc2c(c1)N=C(N1CCCCC1)c1ccccc1[NH2+]2",
        "std_free_energy": -5.4361724853515625,
        "relative_population": 0.09195522998001075
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Novartis"
      }
    ]
  }
]