pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	Datawarrior	1	0	Cc1c2ccccc2c(C[NH+]2CCOCC2)c2ccccc12	Cc1c2ccccc2c(CN2CCOCC2)c2ccccc12	mol15073	Cc1c2ccccc2c(CN2CCOCC2)c2ccccc12
6.5999999	OCHEM	1	0	Cc1c2ccccc2c(C[NH+]2CCOCC2)c2ccccc12	Cc1c2ccccc2c(CN2CCOCC2)c2ccccc12	mol15073	Cc1c2ccccc2c(CN2CCOCC2)c2ccccc12
6.59999990463257	QSARToolbox	1	0	Cc1c2ccccc2c(C[NH+]2CCOCC2)c2ccccc12	Cc1c2ccccc2c(CN2CCOCC2)c2ccccc12	mol15073	Cc1c2ccccc2c(CN2CCOCC2)c2ccccc12