[
  {
    "molid": "mol18086",
    "smiles": "CC[C@H](NC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H](NC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1",
        "std_free_energy": -5.465484619140625,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@H](NC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1",
        "std_free_energy": -2.3623156547546387,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]