pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.56	Datawarrior	0	-1	CC(=S)Nc1ccccc1	CC(=S)[N-]c1ccccc1	mol13031	CC(=S)Nc1ccccc1
11.5600004196167	QSARToolbox	0	-1	CC(=S)Nc1ccccc1	CC(=S)[N-]c1ccccc1	mol13031	CC(=S)Nc1ccccc1
11.6	AttenGpKa training set	0	-1	CC(=S)Nc1ccccc1	CC(=S)[N-]c1ccccc1	mol13031	CC(=S)Nc1ccccc1
-3.34	AttenGpKa training set	1	0	CC(=[SH+])Nc1ccccc1	CC(=S)Nc1ccccc1	mol13031	CC(=S)Nc1ccccc1