[
  {
    "molid": "mol36090",
    "smiles": "O=C(O)Cc1ccc(C(CC(=O)O)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)Cc1ccc([C@H](CC(=O)O)c2ccccc2)cc1",
        "std_free_energy": -2.7535603046417236,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])Cc1ccc([C@H](CC(=O)O)c2ccccc2)cc1",
        "std_free_energy": -8.744386672973633,
        "relative_population": 0.5636738886269064
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])C[C@H](c1ccccc1)c1ccc(CC(=O)O)cc1",
        "std_free_energy": -8.488299369812012,
        "relative_population": 0.43632551963820493
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1399998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]