[
  {
    "molid": "mol34610",
    "smiles": "COc1ccc(N(C)CC(O)C2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(N(C)C[C@H](O)C2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1",
        "std_free_energy": -5.530248165130615,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc(N(C)C[C@H](O)C2=C(c3ccccc3)C(=O)c3ccccc3C2=[OH+])cc1",
        "std_free_energy": 0.9524977207183838,
        "relative_population": 0.08802717105979632
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "COc1ccc([NH+](C)C[C@H](O)C2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1",
        "std_free_energy": -1.2918691635131836,
        "relative_population": 0.8304871140971607
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.86000001430511,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]