pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	Datawarrior	1	0	C[S@+]([O-])Cc1cccc[nH+]1	C[S@+]([O-])Cc1ccccn1	mol13078	C[S+]([O-])Cc1ccccn1
3.0999999	OCHEM	1	0	C[S@+]([O-])Cc1cccc[nH+]1	C[S@+]([O-])Cc1ccccn1	mol13078	C[S+]([O-])Cc1ccccn1
3.09999990463257	QSARToolbox	1	0	C[S@+]([O-])Cc1cccc[nH+]1	C[S@+]([O-])Cc1ccccn1	mol13078	C[S+]([O-])Cc1ccccn1