[
  {
    "molid": "mol17661",
    "smiles": "COc1ccc(Cn2cc(C(=O)NC(C)=O)c(=O)c3c(F)ccc(F)c32)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(Cn2cc(C(=O)NC(C)=O)c(=O)c3c(F)ccc(F)c32)cc1",
        "std_free_energy": -7.141348361968994,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(Cn2cc(C(=O)[N-]C(C)=O)c(=O)c3c(F)ccc(F)c32)cc1",
        "std_free_energy": -0.7751362323760986,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]