pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.57	Datawarrior	1	0	Cc1ccc2c(c1)c1c3n2CC[NH+]=C3CCC1	Cc1ccc2c(c1)c1c3n2CCN=C3CCC1	mol15133	Cc1ccc2c(c1)c1c3n2CCN=C3CCC1
8.5699997	OCHEM	1	0	Cc1ccc2c(c1)c1c3n2CC[NH+]=C3CCC1	Cc1ccc2c(c1)c1c3n2CCN=C3CCC1	mol15133	Cc1ccc2c(c1)c1c3n2CCN=C3CCC1
8.56999969482422	QSARToolbox	1	0	Cc1ccc2c(c1)c1c3n2CC[NH+]=C3CCC1	Cc1ccc2c(c1)c1c3n2CCN=C3CCC1	mol15133	Cc1ccc2c(c1)c1c3n2CCN=C3CCC1