[
  {
    "molid": "mol21527",
    "smiles": "CC(C)Oc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)Oc1ccc(C(=O)c2ccc3n2CC[C@H]3C(=O)O)cc1",
        "std_free_energy": -4.050424575805664,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)Oc1ccc(C(=O)c2ccc3n2CC[C@H]3C(=O)[O-])cc1",
        "std_free_energy": -9.612086296081543,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.43,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]