[
  {
    "molid": "mol38128",
    "smiles": "C/C(CC(C)(C)NCCN(C)C)=N\\O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(CC(C)(C)[NH2+]CCN(C)C)=N\\[O-]",
        "std_free_energy": -1.6327311992645264,
        "relative_population": 0.1256752397097624
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C/C(CC(C)(C)NCCN(C)C)=N\\O",
        "std_free_energy": -3.4847209453582764,
        "relative_population": 0.8008637742855914
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C/C(CC(C)(C)NCC[NH+](C)C)=N\\[O-]",
        "std_free_energy": -1.0957845449447632,
        "relative_population": 0.07346098600464616
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C/C(CC(C)(C)NCC[NH+](C)C)=N\\O",
        "std_free_energy": -8.58294677734375,
        "relative_population": 0.4993685826471521
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "C/C(CC(C)(C)[NH2+]CCN(C)C)=N\\O",
        "std_free_energy": -8.546414375305176,
        "relative_population": 0.48145466043156765
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35999965667725,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]