pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.49	Datawarrior	1	0	Cc1c([NH3+])ccc2c1-c1c(ccc3ccccc13)C2	Cc1c(N)ccc2c1-c1c(ccc3ccccc13)C2	mol15515	Cc1c(N)ccc2c1-c1c(ccc3ccccc13)C2
4.4899998	OCHEM	1	0	Cc1c([NH3+])ccc2c1-c1c(ccc3ccccc13)C2	Cc1c(N)ccc2c1-c1c(ccc3ccccc13)C2	mol15515	Cc1c(N)ccc2c1-c1c(ccc3ccccc13)C2
4.48999977111816	QSARToolbox	1	0	Cc1c([NH3+])ccc2c1-c1c(ccc3ccccc13)C2	Cc1c(N)ccc2c1-c1c(ccc3ccccc13)C2	mol15515	Cc1c(N)ccc2c1-c1c(ccc3ccccc13)C2