[
  {
    "molid": "mol31823",
    "smiles": "CCOC(=O)c1cnc2oc(/C=N/N3CC(CN4CCOCC4)OC3=O)cc2c1O",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CCOC(=O)c1cnc2oc(/C=N/N3C[C@@H](CN4CCOCC4)OC3=O)cc2c1O",
        "std_free_energy": -6.5175395011901855,
        "relative_population": 0.9870724798571042
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "CCOC(=O)c1cnc2oc(/C=N/N3C[C@@H](C[NH+]4CCOCC4)OC3=O)cc2c1O",
        "std_free_energy": -6.247112274169922,
        "relative_population": 0.9979814138813828
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.24,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]