[
  {
    "molid": "mol15146",
    "smiles": "CCOc1cc(C)nc(-n2nc(C)cc2O)n1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CCOc1cc(C)nc(-n2nc(C)cc2O)n1",
        "std_free_energy": -6.275754928588867,
        "relative_population": 0.6756540663775683
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CCOc1cc(C)[nH+]c(-n2nc(C)cc2[O-])n1",
        "std_free_energy": -5.485013484954834,
        "relative_population": 0.3064148078832872
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOc1cc(C)nc(-n2nc(C)cc2[O-])n1",
        "std_free_energy": -4.7872843742370605,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.3499999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]