pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.41	Datawarrior	1	0	c1ccc(CSc2cc[nH+]cc2)cc1	c1ccc(CSc2ccncc2)cc1	mol3631	c1ccc(CSc2ccncc2)cc1
5.4099998	OCHEM	1	0	c1ccc(CSc2cc[nH+]cc2)cc1	c1ccc(CSc2ccncc2)cc1	mol3631	c1ccc(CSc2ccncc2)cc1