[
  {
    "molid": "mol34911",
    "smiles": "CC1(C)N=C(N2CCNC2=NC2CCCCC2)C(C)(C)N1[O]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)N=C(N2CCNC2=NC2CCCCC2)C(C)(C)N1[O]",
        "std_free_energy": -0.297995924949646,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(C)N=C(N2CCNC2=[NH+]C2CCCCC2)C(C)(C)N1[O]",
        "std_free_energy": -9.619891166687012,
        "relative_population": 0.7376157312981462
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC1(C)[NH+]=C(N2CCNC2=NC2CCCCC2)C(C)(C)N1[O]",
        "std_free_energy": -8.514455795288086,
        "relative_population": 0.24420001626891974
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]