[
  {
    "molid": "mol36410",
    "smiles": "CN(C)c1ccc(/N=N/c2ccc(C(=O)NCC(=O)O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccc(/N=N/c2ccc(C(=O)NCC(=O)[O-])cc2)cc1",
        "std_free_energy": -4.726742267608643,
        "relative_population": 0.522641163839751
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CN(C)c1ccc(/N=N/c2ccc(C(=O)NCC(=O)O)cc2)cc1",
        "std_free_energy": -4.612727642059326,
        "relative_population": 0.4663239162143499
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN(C)c1ccc(/N=N/c2ccc(C(=O)NCC(=O)[O-])cc2)cc1",
        "std_free_energy": -10.801247596740723,
        "relative_population": 0.9998909455273773
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]