[
  {
    "molid": "mol16749",
    "smiles": "N#Cc1c(-c2ccc(C(=O)O)cc2)c2c([nH]c1=O)-c1cccc(O)c1CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1c(-c2ccc(C(=O)O)cc2)c2c([nH]c1=O)-c1cccc(O)c1CC2",
        "std_free_energy": -3.497358560562134,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N#Cc1c(-c2ccc(C(=O)[O-])cc2)c2c([nH]c1=O)-c1cccc(O)c1CC2",
        "std_free_energy": -9.145383834838867,
        "relative_population": 0.9898406369605215
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]