[
  {
    "molid": "mol19930",
    "smiles": "Oc1onc2c1CCCNC2",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1onc2c1CCC[NH2+]C2",
        "std_free_energy": -11.042420387268066,
        "relative_population": 0.9995554644155665
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1onc2c1CCC[NH2+]C2",
        "std_free_energy": -3.3945114612579346,
        "relative_population": 0.8256676133932098
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[O-]c1o[nH+]c2c1CCC[NH2+]C2",
        "std_free_energy": -1.7077585458755493,
        "relative_population": 0.15284729820480594
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 2.50999999046326,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]