[
  {
    "molid": "mol32238",
    "smiles": "COC(=O)CC1c2ccc(Cl)cc2NC(=O)C1C(=O)OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@H]1C(=O)OC",
        "std_free_energy": -5.958584785461426,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C-]1C(=O)OC",
        "std_free_energy": 4.249577522277832,
        "relative_population": 0.679498316713801
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)C[C@@H]1c2ccc(Cl)cc2[N-]C(=O)[C@H]1C(=O)OC",
        "std_free_energy": 5.001044750213623,
        "relative_population": 0.3205016832861991
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]