[
  {
    "molid": "mol19662",
    "smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(N)=O)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(N)=O)CC1",
        "std_free_energy": -5.386945724487305,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CC[NH+](CC(N)=O)CC1",
        "std_free_energy": -7.200941562652588,
        "relative_population": 0.9110570040187683
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]