[
  {
    "molid": "mol38490",
    "smiles": "CCCCc1ccnc(C(=O)N(C2CCCCC2)C(C)(C)C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCc1ccnc(C(=O)N(C2CCCCC2)C(C)(C)C)c1",
        "std_free_energy": -6.614041805267334,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCc1ccnc(C(=[OH+])N(C2CCCCC2)C(C)(C)C)c1",
        "std_free_energy": 0.6841286420822144,
        "relative_population": 0.5392160493020354
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCc1cc[nH+]c(C(=O)N(C2CCCCC2)C(C)(C)C)c1",
        "std_free_energy": 0.8413156867027283,
        "relative_population": 0.46078395069796463
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]