[
  {
    "molid": "mol14033",
    "smiles": "Cc1n[nH]c2ccc(N)cc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1n[nH]c2ccc(N)cc12",
        "std_free_energy": -5.950411796569824,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+][nH]c2ccc(N)cc12",
        "std_free_energy": -1.5847129821777344,
        "relative_population": 0.18411644214400474
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1n[nH]c2ccc([NH3+])cc12",
        "std_free_energy": -3.073416233062744,
        "relative_population": 0.8158835578559953
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]