pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.09	Baltruschat ChEMBL	1	0	CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)[nH+]ccc21,CCC[C@@H](C)n1c(CC)[nH+]c2c(-c3ccc(OC(F)(F)F)cc3Cl)nccc21	CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)nccc21	mol21095	CCCC(C)n1c(CC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)nccc21