[
  {
    "molid": "mol38214",
    "smiles": "N#Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1",
        "std_free_energy": -6.514242649078369,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N#Cc1ccc(-c2[nH+]nc(-c3ccccc3)o2)cc1",
        "std_free_energy": 5.679515361785889,
        "relative_population": 0.43925419545646877
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "N#Cc1ccc(-c2n[nH+]c(-c3ccccc3)o2)cc1",
        "std_free_energy": 5.445039749145508,
        "relative_population": 0.55532520165378
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.65000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]