[
  {
    "molid": "mol34807",
    "smiles": "CC(NC(O)c1ccncc1)C(=O)O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@@H](N[C@@H](O)c1ccncc1)C(=O)[O-]",
        "std_free_energy": -8.298537254333496,
        "relative_population": 0.9952041019875849
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@@H](N[C@@H]([O-])c1ccncc1)C(=O)[O-]",
        "std_free_energy": 7.7786335945129395,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0200004577637,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]