[
  {
    "molid": "mol21569",
    "smiles": "O=C(O)CCCCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([O-])CCCCc1cc(=O)oc2c(C[NH+]3CCCCC3)c(O)ccc12",
        "std_free_energy": -9.109933853149414,
        "relative_population": 0.9861375451707713
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CCCCc1cc(=O)oc2c(C[NH+]3CCCCC3)c([O-])ccc12",
        "std_free_energy": -7.070419788360596,
        "relative_population": 0.9411779949425966
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])CCCCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12",
        "std_free_energy": -4.292288780212402,
        "relative_population": 0.05849850911168455
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]