[
  {
    "molid": "mol34636",
    "smiles": "COc1ccc2[nH]c(C)c(C3(c4c(C)[nH]c5ccc(OC)cc45)OC(=O)c4ccccc43)c2c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc2[n-]c(C)c(C3(c4c(C)[nH]c5ccc(OC)cc45)OC(=O)c4ccccc43)c2c1",
        "std_free_energy": 9.175180435180664,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc2[n-]c(C)c(C3(c4c(C)[n-]c5ccc(OC)cc45)OC(=O)c4ccccc43)c2c1",
        "std_free_energy": 11.5239896774292,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]