[
  {
    "molid": "mol38106",
    "smiles": "O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=C([O-])CN(CCN(CC(=O)[O-])Cc1ccccc1[O-])Cc1ccccc1[O-]",
        "std_free_energy": 14.565929412841797,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])CN(CCN(CC(=O)[O-])Cc1ccccc1O)Cc1ccccc1[O-]",
        "std_free_energy": 1.962392807006836,
        "relative_population": 0.6694551327986984
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=C([O-])CN(CC[NH+](CC(=O)[O-])Cc1ccccc1[O-])Cc1ccccc1[O-]",
        "std_free_energy": 2.6682064533233643,
        "relative_population": 0.3305144898650494
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.8999996185303,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]