pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.53	Baltruschat ChEMBL	2	1	c1ccc2c(c1)CCc1[nH+]c3c(ccn4cc[nH+]c34)cc1-2	c1ccc2c(c1)CCc1[nH+]c3c(ccn4ccnc34)cc1-2,c1ccc2c(c1)CCc1nc3c(ccn4cc[nH+]c34)cc1-2	mol17987	c1ccc2c(c1)CCc1nc3c(ccn4ccnc34)cc1-2