[
  {
    "molid": "mol13523",
    "smiles": "CCN(CC)/N=C(\\C)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)/N=C(\\C)N",
        "std_free_energy": 0.2421245276927948,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCN(CC)/[NH+]=C(\\C)N",
        "std_free_energy": -9.327350616455078,
        "relative_population": 0.879019343166605
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[NH+](CC)/N=C(\\C)N",
        "std_free_energy": -7.344174385070801,
        "relative_population": 0.12098065683339498
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.6000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]