[
  {
    "molid": "mol16709",
    "smiles": "COc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)c(OC)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)c(OC)n1",
        "std_free_energy": -5.819199085235596,
        "relative_population": 0.9935143986626744
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(-c2cc3c(C(=O)[O-])c[nH]c3cc2Cl)c(OC)n1",
        "std_free_energy": -9.758692741394043,
        "relative_population": 0.9999980729076289
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]