[
  {
    "molid": "mol31927",
    "smiles": "CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1Cl)Cc1ccccc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1Cl)Cc1ccccc1Cl",
        "std_free_energy": -3.3129940032958984,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[NH+](CC)Cc1ccccc1Cl)Cc1ccccc1Cl",
        "std_free_energy": -7.263280868530273,
        "relative_population": 0.9976344123009515
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]