[
  {
    "molid": "mol14032",
    "smiles": "Cc1n[nH]c2cc(N)ccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1n[nH]c2cc(N)ccc12",
        "std_free_energy": -7.356367588043213,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+][nH]c2cc(N)ccc12",
        "std_free_energy": -0.34537437558174133,
        "relative_population": 0.24896612134558097
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1n[nH]c2cc([NH3+])ccc12",
        "std_free_energy": -1.4495083093643188,
        "relative_population": 0.7510338786544191
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]