pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.42	Baltruschat ChEMBL	1	0	C=CCn1cc(/C=N\O)[n+](C)c1SC	C=CCn1cc(/C=N\[O-])[n+](C)c1SC	mol18418	C=CCn1cc(/C=N\O)[n+](C)c1SC
9.42000007629395	QSARToolbox	1	0	C=CCn1cc(/C=N\O)[n+](C)c1SC	C=CCn1cc(/C=N\[O-])[n+](C)c1SC	mol18418	C=CCn1cc(/C=N\O)[n+](C)c1SC