[
  {
    "molid": "mol34486",
    "smiles": "CC(C)NCC(O)COc1cccc(OCC(O)CNC(C)C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)NC[C@@H](O)COc1cccc(OC[C@@H](O)CNC(C)C)c1",
        "std_free_energy": -0.36190563440322876,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)NC[C@H](O)COc1cccc(OC[C@H](O)C[NH2+]C(C)C)c1",
        "std_free_energy": -8.335068702697754,
        "relative_population": 0.9889733331012626
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.32999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]