pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.41	Datawarrior	1	0	Cc1ccc(C2=[NH+]CCC2)cc1	Cc1ccc(C2=NCCC2)cc1	mol12794	Cc1ccc(C2=NCCC2)cc1
6.4099998	OCHEM	1	0	Cc1ccc(C2=[NH+]CCC2)cc1	Cc1ccc(C2=NCCC2)cc1	mol12794	Cc1ccc(C2=NCCC2)cc1
6.40999984741211	QSARToolbox	1	0	Cc1ccc(C2=[NH+]CCC2)cc1	Cc1ccc(C2=NCCC2)cc1	mol12794	Cc1ccc(C2=NCCC2)cc1