pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.09	Datawarrior	0	-1	[O-][S@@+](Cc1ccccc1)c1cnn[nH]1	[O-][S@@+](Cc1ccccc1)c1cnn[n-]1	mol13469	[O-][S+](Cc1ccccc1)c1cnn[nH]1
6.0900002	OCHEM	0	-1	[O-][S@@+](Cc1ccccc1)c1cnn[nH]1	[O-][S@@+](Cc1ccccc1)c1cnn[n-]1	mol13469	[O-][S+](Cc1ccccc1)c1cnn[nH]1
6.09000015258789	QSARToolbox	0	-1	[O-][S@@+](Cc1ccccc1)c1cnn[nH]1	[O-][S@@+](Cc1ccccc1)c1cnn[n-]1	mol13469	[O-][S+](Cc1ccccc1)c1cnn[nH]1