[
  {
    "molid": "mol37454",
    "smiles": "CCC(C)(S)[C@H](NC(C)=O)C(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C@](C)(S)[C@H](NC(C)=O)C(=O)[O-]",
        "std_free_energy": -10.513199806213379,
        "relative_population": 0.9997201226750045
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC[C@](C)([S-])[C@H](NC(C)=O)C(=O)[O-]",
        "std_free_energy": -2.632948160171509,
        "relative_population": 0.9306065635760707
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC[C@](C)(S)[C@H]([N-]C(C)=O)C(=O)[O-]",
        "std_free_energy": -0.012062013149261475,
        "relative_population": 0.06769081139820732
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]