pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.36999988555908	QSARToolbox	1	0	OC(CSc1ccccc1)(CSc1ccccc1)c1cccc[nH+]1,[OH2+]C(CSc1ccccc1)(CSc1ccccc1)c1ccccn1	OC(CSc1ccccc1)(CSc1ccccc1)c1ccccn1	mol38108	OC(CSc1ccccc1)(CSc1ccccc1)c1ccccn1