[
  {
    "molid": "mol36695",
    "smiles": "CO/N=C(\\C)CC(C)(C)NCCNC(C)(C)C/C(C)=N/OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO/N=C(\\C)CC(C)(C)NCCNC(C)(C)C/C(C)=N/OC",
        "std_free_energy": -1.304458498954773,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CO/N=C(\\C)CC(C)(C)NCC[NH2+]C(C)(C)C/C(C)=N/OC",
        "std_free_energy": -7.92140007019043,
        "relative_population": 0.9703908210777242
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.34000015258789,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]