pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.87	OCHEM	0	-1	[S-]c1cccc2ccc(-c3ccccc3)[nH+]c12,Sc1cccc2ccc(-c3ccccc3)nc12	[S-]c1cccc2ccc(-c3ccccc3)nc12	mol7760	Sc1cccc2ccc(-c3ccccc3)nc12
7.86999988555908	QSARToolbox	0	-1	[S-]c1cccc2ccc(-c3ccccc3)[nH+]c12,Sc1cccc2ccc(-c3ccccc3)nc12	[S-]c1cccc2ccc(-c3ccccc3)nc12	mol7760	Sc1cccc2ccc(-c3ccccc3)nc12
1.27999997138977	QSARToolbox	1	0	Sc1cccc2ccc(-c3ccccc3)[nH+]c12	[S-]c1cccc2ccc(-c3ccccc3)[nH+]c12,Sc1cccc2ccc(-c3ccccc3)nc12	mol7760	Sc1cccc2ccc(-c3ccccc3)nc12