[
  {
    "molid": "mol21567",
    "smiles": "O=C(O)CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])CCCCc1cc(=O)oc2c(C[NH+]3CCCC3)c(O)ccc12",
        "std_free_energy": -9.061155319213867,
        "relative_population": 0.9854543611611684
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])CCCCc1cc(=O)oc2c(C[NH+]3CCCC3)c([O-])ccc12",
        "std_free_energy": -7.124905586242676,
        "relative_population": 0.9540110554171505
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]