[
  {
    "molid": "mol32364",
    "smiles": "COC(=O)C(NC(=O)Cc1ccccc1)C1SC(C)(C)C2C(=O)NC(=S)N12",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "COC(=O)[C@H](NC(=O)Cc1ccccc1)[C@H]1SC(C)(C)[C@H]2C(=O)NC(=S)N12",
        "std_free_energy": -6.276038646697998,
        "relative_population": 0.9999999908094374
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)[C@H]([N-]C(=O)Cc1ccccc1)[C@H]1SC(C)(C)[C@H]2C(=O)NC(=S)N12",
        "std_free_energy": -0.5717809200286865,
        "relative_population": 0.05955265796819505
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)[C@H](NC(=O)Cc1ccccc1)[C@H]1SC(C)(C)[C@H]2C(=O)[N-]C(=S)N12",
        "std_free_energy": -3.2720789909362793,
        "relative_population": 0.8863917422885733
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COC(=O)[C@H](NC(=O)[CH-]c1ccccc1)[C@H]1SC(C)(C)[C@H]2C(=O)NC(=S)N12",
        "std_free_energy": -0.47479599714279175,
        "relative_population": 0.054048187304780025
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]