pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Datawarrior	1	0	c1cnc2c(c1)ccc1[nH+]cccc12,c1c[nH+]c2c(c1)ccc1ncccc12	c1cnc2c(c1)ccc1ncccc12	mol5067	c1cnc2c(c1)ccc1ncccc12
1.0	Datawarrior	2	1	c1c[nH+]c2c(c1)ccc1[nH+]cccc12	c1cnc2c(c1)ccc1[nH+]cccc12,c1c[nH+]c2c(c1)ccc1ncccc12	mol5067	c1cnc2c(c1)ccc1ncccc12