[
  {
    "molid": "mol13759",
    "smiles": "CN1CCCC1c1ccc(Cl)nc1",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+]1CCC[C@@H]1c1ccc(Cl)nc1",
        "std_free_energy": -9.402704238891602,
        "relative_population": 0.9979841005255411
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+]1CCC[C@@H]1c1ccc(Cl)[nH+]c1",
        "std_free_energy": 9.39366340637207,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.3,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]