[
  {
    "molid": "mol19026",
    "smiles": "Cc1cccc(C)c1CNc1nccc2c1nc(C)n2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(C)c1CNc1nccc2c1nc(C)n2C",
        "std_free_energy": -5.354495048522949,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1CNc1[nH+]ccc2c1nc(C)n2C",
        "std_free_energy": -5.512253284454346,
        "relative_population": 0.30498703306651515
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1CNc1nccc2c1[nH+]c(C)n2C",
        "std_free_energy": -5.734528064727783,
        "relative_population": 0.3809027302844185
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1C[NH2+]c1nccc2c1nc(C)n2C",
        "std_free_energy": -5.5417280197143555,
        "relative_population": 0.31411023664906634
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.49,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]