[
  {
    "molid": "mol20294",
    "smiles": "c1cncc(CN2CCOCC2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cncc(CN2CCOCC2)c1",
        "std_free_energy": -6.303307056427002,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cncc(C[NH+]2CCOCC2)c1",
        "std_free_energy": -6.387021541595459,
        "relative_population": 0.9448593731013699
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1c[nH+]cc(CN2CCOCC2)c1",
        "std_free_energy": -3.545872211456299,
        "relative_population": 0.05514062689863004
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.76,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]