pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.38	Datawarrior	0	-1	[O-][S@@+](Cc1ccccc1)c1ncn[nH]1	[O-][S@@+](Cc1ccccc1)c1ncn[n-]1	mol13468	[O-][S+](Cc1ccccc1)c1ncn[nH]1
7.3800001	OCHEM	0	-1	[O-][S@@+](Cc1ccccc1)c1ncn[nH]1	[O-][S@@+](Cc1ccccc1)c1ncn[n-]1	mol13468	[O-][S+](Cc1ccccc1)c1ncn[nH]1
7.38000011444092	QSARToolbox	0	-1	[O-][S@@+](Cc1ccccc1)c1ncn[nH]1	[O-][S@@+](Cc1ccccc1)c1ncn[n-]1	mol13468	[O-][S+](Cc1ccccc1)c1ncn[nH]1