[
  {
    "molid": "mol36558",
    "smiles": "CNc1ccncc1C(=O)OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1ccncc1C(=O)OC",
        "std_free_energy": -5.7291154861450195,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNc1cc[nH+]cc1C(=O)OC",
        "std_free_energy": -5.462583541870117,
        "relative_population": 0.9036313788508353
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH2+]c1ccncc1C(=O)OC",
        "std_free_energy": -3.0561070442199707,
        "relative_population": 0.08144639003490375
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]