[
  {
    "molid": "mol36700",
    "smiles": "COc1cc(C(=O)N(N)CCO)c(/N=C/N)c(OC)c1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(C(=O)N(N)CCO)c(/N=C/N)c(OC)c1OC",
        "std_free_energy": -5.422067642211914,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COc1cc(C(=O)N(N)CCO)c(/[NH+]=C/N)c(OC)c1OC",
        "std_free_energy": -4.102062702178955,
        "relative_population": 0.9064647821821764
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.13000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]