pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.77	Datawarrior	0	-1	CCN(CC)C(=S)NC(=O)c1ccc(C)cc1	CCN(CC)C(=S)[N-]C(=O)c1ccc(C)cc1	mol15249	CCN(CC)C(=S)NC(=O)c1ccc(C)cc1
8.7700005	OCHEM	0	-1	CCN(CC)C(=S)NC(=O)c1ccc(C)cc1	CCN(CC)C(=S)[N-]C(=O)c1ccc(C)cc1	mol15249	CCN(CC)C(=S)NC(=O)c1ccc(C)cc1
8.77000045776367	QSARToolbox	0	-1	CCN(CC)C(=S)NC(=O)c1ccc(C)cc1	CCN(CC)C(=S)[N-]C(=O)c1ccc(C)cc1	mol15249	CCN(CC)C(=S)NC(=O)c1ccc(C)cc1