[
  {
    "molid": "mol37074",
    "smiles": "COc1cc(C=Nc2ccc(-c3ccc(N)cc3)cc2)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(C=[NH+]c2ccc(-c3ccc(N)cc3)cc2)ccc1[O-]",
        "std_free_energy": -2.4868505001068115,
        "relative_population": 0.1593524242438217
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc(C=Nc2ccc(-c3ccc(N)cc3)cc2)ccc1O",
        "std_free_energy": -4.147965431213379,
        "relative_population": 0.8390188598538701
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc(C=[NH+]c2ccc(-c3ccc(N)cc3)cc2)ccc1O",
        "std_free_energy": -4.589616775512695,
        "relative_population": 0.7703820370274362
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COc1cc(C=Nc2ccc(-c3ccc([NH3+])cc3)cc2)ccc1O",
        "std_free_energy": -3.3642399311065674,
        "relative_population": 0.2262203896143704
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.26000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]