pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	Baltruschat ChEMBL	1	0	Cc1[nH+]c2c(OCc3ccccc3)cccn2c1CO	Cc1nc2c(OCc3ccccc3)cccn2c1CO	mol18027	Cc1nc2c(OCc3ccccc3)cccn2c1CO