[
  {
    "molid": "mol36428",
    "smiles": "Cc1ccc(N(C)CC(O)C2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(N(C)C[C@@H](O)C2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1",
        "std_free_energy": -5.8595733642578125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(N(C)C[C@@H](O)C2=C(c3ccccc3)C(=O)c3ccccc3C2=[OH+])cc1",
        "std_free_energy": 1.4935920238494873,
        "relative_population": 0.05886325139798072
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc([NH+](C)C[C@@H](O)C2=C(c3ccccc3)C(=O)c3ccccc3C2=O)cc1",
        "std_free_energy": -1.17079758644104,
        "relative_population": 0.8452281501467707
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccc(N(C)C[C@@H](O)C2=C(c3ccccc3)C(=[OH+])c3ccccc3C2=O)cc1",
        "std_free_energy": 1.3661038875579834,
        "relative_population": 0.0668669695886406
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.70000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]