pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.48	Baltruschat ChEMBL	1	0	COC1CN(C(=O)c2cc3c([nH+]c(C)n3C)c3c2CC[C@@H](c2ccc(Cl)cc2C)O3)C1	COC1CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccc(Cl)cc2C)O3)C1	mol21631	COC1CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccc(Cl)cc2C)O3)C1