pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.26	Datawarrior	1	0	CSc1cnc2ccccc2[nH+]1,CSc1c[nH+]c2ccccc2n1	CSc1cnc2ccccc2n1	mol4679	CSc1cnc2ccccc2n1
0.25999999	OCHEM	1	0	CSc1cnc2ccccc2[nH+]1,CSc1c[nH+]c2ccccc2n1	CSc1cnc2ccccc2n1	mol4679	CSc1cnc2ccccc2n1
0.275	OCHEM	1	0	CSc1cnc2ccccc2[nH+]1,CSc1c[nH+]c2ccccc2n1	CSc1cnc2ccccc2n1	mol4679	CSc1cnc2ccccc2n1
0.28999999165535	QSARToolbox	1	0	CSc1cnc2ccccc2[nH+]1,CSc1c[nH+]c2ccccc2n1	CSc1cnc2ccccc2n1	mol4679	CSc1cnc2ccccc2n1
0.259999990463257	QSARToolbox	1	0	CSc1cnc2ccccc2[nH+]1,CSc1c[nH+]c2ccccc2n1	CSc1cnc2ccccc2n1	mol4679	CSc1cnc2ccccc2n1