pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.83	Datawarrior	0	-1	CCOc1ccc(C(=O)NC(=S)N(CC)CC)cc1	CCOc1ccc(C(=O)[N-]C(=S)N(CC)CC)cc1	mol15575	CCOc1ccc(C(=O)NC(=S)N(CC)CC)cc1
8.8299999	OCHEM	0	-1	CCOc1ccc(C(=O)NC(=S)N(CC)CC)cc1	CCOc1ccc(C(=O)[N-]C(=S)N(CC)CC)cc1	mol15575	CCOc1ccc(C(=O)NC(=S)N(CC)CC)cc1
8.82999992370606	QSARToolbox	0	-1	CCOc1ccc(C(=O)NC(=S)N(CC)CC)cc1	CCOc1ccc(C(=O)[N-]C(=S)N(CC)CC)cc1	mol15575	CCOc1ccc(C(=O)NC(=S)N(CC)CC)cc1