[
  {
    "molid": "mol37292",
    "smiles": "C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1N[C@H](C(=O)O)CS1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1[NH2+][C@H](C(=O)[O-])CS1",
        "std_free_energy": -8.592667579650879,
        "relative_population": 0.9905836794641911
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1N[C@H](C(=O)[O-])CS1",
        "std_free_energy": -9.948376655578613,
        "relative_population": 0.9999983237200709
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.51000022888184,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]