pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	Datawarrior	1	0	Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1,[NH3+]c1ccc2[nH]c(CCc3ccccc3)nc2c1	Nc1ccc2[nH]c(CCc3ccccc3)nc2c1	mol14851	Nc1ccc2[nH]c(CCc3ccccc3)nc2c1
7.1999998	OCHEM	1	0	Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1,[NH3+]c1ccc2[nH]c(CCc3ccccc3)nc2c1	Nc1ccc2[nH]c(CCc3ccccc3)nc2c1	mol14851	Nc1ccc2[nH]c(CCc3ccccc3)nc2c1
7.19999980926514	QSARToolbox	1	0	Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1,[NH3+]c1ccc2[nH]c(CCc3ccccc3)nc2c1	Nc1ccc2[nH]c(CCc3ccccc3)nc2c1	mol14851	Nc1ccc2[nH]c(CCc3ccccc3)nc2c1