[
  {
    "molid": "mol17569",
    "smiles": "Cc1ccc(-c2nc3cccc(C(C)C(=O)O)c3o2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-c2nc3cccc([C@H](C)C(=O)O)c3o2)cc1",
        "std_free_energy": -5.046257019042969,
        "relative_population": 0.9980845419324788
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(-c2nc3cccc([C@H](C)C(=O)[O-])c3o2)cc1",
        "std_free_energy": -9.848981857299805,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]