[
  {
    "molid": "mol2305",
    "smiles": "O=C(O)c1ccc(-c2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc(-c2ccc(Cl)c(C(=O)NC[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2)cc1",
        "std_free_energy": -4.045480728149414,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(-c2ccc(Cl)c(C(=O)NC[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2)cc1",
        "std_free_energy": -9.069937705993652,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]