[
  {
    "molid": "mol7435",
    "smiles": "CCOC(=O)c1cnc(C)nc1OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1cnc(C)nc1OCC",
        "std_free_energy": -6.770055294036865,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=O)c1c[nH+]c(C)nc1OCC",
        "std_free_energy": 2.5451560020446777,
        "relative_population": 0.6007096137041146
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=O)c1cnc(C)[nH+]c1OCC",
        "std_free_energy": 2.9535787105560303,
        "relative_population": 0.3992903862958854
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.70000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]