pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.37	Datawarrior	0	-1	CCCCC1(CC)C(=O)NC(=S)NC1=O	CCCCC1(CC)C(=O)[N-]C(=S)NC1=O	mol11479	CCCCC1(CC)C(=O)NC(=S)NC1=O
7.3699999	OCHEM	0	-1	CCCCC1(CC)C(=O)NC(=S)NC1=O	CCCCC1(CC)C(=O)[N-]C(=S)NC1=O	mol11479	CCCCC1(CC)C(=O)NC(=S)NC1=O
7.36999988555908	QSARToolbox	0	-1	CCCCC1(CC)C(=O)NC(=S)NC1=O	CCCCC1(CC)C(=O)[N-]C(=S)NC1=O	mol11479	CCCCC1(CC)C(=O)NC(=S)NC1=O
12.07	Datawarrior	-1	-2	CCCCC1(CC)C(=O)[N-]C(=S)NC1=O	CCCCC1(CC)C(=O)[N-]C(=S)[N-]C1=O	mol11479	CCCCC1(CC)C(=O)NC(=S)NC1=O