pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.95	OCHEM	1	0	COc1ccc2[nH]c([S@+]([O-])Cc3nccc(N4CCCCC4)c3Cl)[nH+]c2c1,COc1ccc2[nH]c([S@+]([O-])Cc3[nH+]ccc(N4CCCCC4)c3Cl)nc2c1,COc1ccc2[nH]c([S@+]([O-])Cc3nccc([NH+]4CCCCC4)c3Cl)nc2c1	COc1ccc2[nH]c([S@+]([O-])Cc3nccc(N4CCCCC4)c3Cl)nc2c1	mol32093	COc1ccc2[nH]c([S+]([O-])Cc3nccc(N4CCCCC4)c3Cl)nc2c1