[
  {
    "molid": "mol34858",
    "smiles": "COc1ccccc1C(=O)NCCN(CCNC(=O)c1ccccc1OC)CCNC(=O)c1ccccc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccccc1C(=O)NCCN(CCNC(=O)c1ccccc1OC)CCNC(=O)c1ccccc1OC",
        "std_free_energy": -6.333011627197266,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccccc1C(=O)NCC[NH+](CCNC(=O)c1ccccc1OC)CCNC(=O)c1ccccc1OC",
        "std_free_energy": -7.984494209289551,
        "relative_population": 0.9999874580699827
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.01000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]