[
  {
    "molid": "mol19274",
    "smiles": "CCCc1ccc(O)c(-c2cc(CCC)ccc2O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCc1ccc(O)c(-c2cc(CCC)ccc2O)c1",
        "std_free_energy": -5.67051887512207,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCc1ccc([O-])c(-c2cc(CCC)ccc2O)c1",
        "std_free_energy": -2.6452534198760986,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]