pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Baltruschat ChEMBL	1	0	CN1C(=O)CC[C@H]1c1ccc[nH+]c1	CN1C(=O)CC[C@H]1c1cccnc1	mol20052	CN1C(=O)CC[C@H]1c1cccnc1