pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.09	Datawarrior	0	-1	C=CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O	C=CCC1(C2=CCCCC2)C(=O)[N-]C(=S)NC1=O	mol11928	C=CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O
7.0900002	OCHEM	0	-1	C=CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O	C=CCC1(C2=CCCCC2)C(=O)[N-]C(=S)NC1=O	mol11928	C=CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O
7.09000015258789	QSARToolbox	0	-1	C=CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O	C=CCC1(C2=CCCCC2)C(=O)[N-]C(=S)NC1=O	mol11928	C=CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O
11.71	Datawarrior	-1	-2	C=CCC1(C2=CCCCC2)C(=O)[N-]C(=S)NC1=O	C=CCC1(C2=CCCCC2)C(=O)[N-]C(=S)[N-]C1=O	mol11928	C=CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O