[
  {
    "molid": "mol19642",
    "smiles": "Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1Cl",
        "std_free_energy": -6.139760971069336,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Clc1ccc(-n2cc(NCC[NH+]3CCOCC3)nn2)cc1Cl",
        "std_free_energy": -6.845877170562744,
        "relative_population": 0.9615783344794935
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]