pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.12	Datawarrior	0	-1	CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O	CCC1(C2=CCCCC2)C(=O)[N-]C(=S)NC1=O	mol11798	CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O
7.1199999	OCHEM	0	-1	CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O	CCC1(C2=CCCCC2)C(=O)[N-]C(=S)NC1=O	mol11798	CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O
7.11999988555908	QSARToolbox	0	-1	CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O	CCC1(C2=CCCCC2)C(=O)[N-]C(=S)NC1=O	mol11798	CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O
11.8	Datawarrior	-1	-2	CCC1(C2=CCCCC2)C(=O)[N-]C(=S)NC1=O	CCC1(C2=CCCCC2)C(=O)[N-]C(=S)[N-]C1=O	mol11798	CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O