pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	Baltruschat ChEMBL	1	0	Cc1[nH+]c2c(C/C=C/c3ccccc3)cccn2c1CC#N	Cc1nc2c(C/C=C/c3ccccc3)cccn2c1CC#N	mol18023	Cc1nc2c(C/C=C/c3ccccc3)cccn2c1CC#N