pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	Baltruschat ChEMBL	1	0	Cc1c(CC#N)[nH+]c2c(OCc3ccccc3)cccn12	Cc1c(CC#N)nc2c(OCc3ccccc3)cccn12	mol18015	Cc1c(CC#N)nc2c(OCc3ccccc3)cccn12