pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.24	Datawarrior	1	0	Cc1ccc2c(c1)c1c3c([nH+]ccn32)CCC1	Cc1ccc2c(c1)c1c3c(nccn32)CCC1	mol15132	Cc1ccc2c(c1)c1c3c(nccn32)CCC1
6.2399998	OCHEM	1	0	Cc1ccc2c(c1)c1c3c([nH+]ccn32)CCC1	Cc1ccc2c(c1)c1c3c(nccn32)CCC1	mol15132	Cc1ccc2c(c1)c1c3c(nccn32)CCC1
6.23999977111816	QSARToolbox	1	0	Cc1ccc2c(c1)c1c3c([nH+]ccn32)CCC1	Cc1ccc2c(c1)c1c3c(nccn32)CCC1	mol15132	Cc1ccc2c(c1)c1c3c(nccn32)CCC1