pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.4	Datawarrior	0	-1	Cc1ccc(S(=O)(=O)NCCC(=N)N(C)C)cc1	Cc1ccc(S(=O)(=O)NCCC(=[N-])N(C)C)cc1,Cc1ccc(S(=O)(=O)[N-]CCC(=N)N(C)C)cc1	mol14880	Cc1ccc(S(=O)(=O)NCCC(=N)N(C)C)cc1
9.84	Datawarrior	1	0	Cc1ccc(S(=O)(=O)NCCC(=[NH2+])N(C)C)cc1,Cc1ccc(S(=O)(=O)[NH2+]CCC(=N)N(C)C)cc1	Cc1ccc(S(=O)(=O)NCCC(=N)N(C)C)cc1	mol14880	Cc1ccc(S(=O)(=O)NCCC(=N)N(C)C)cc1
9.8400002	OCHEM	1	0	Cc1ccc(S(=O)(=O)NCCC(=[NH2+])N(C)C)cc1,Cc1ccc(S(=O)(=O)[NH2+]CCC(=N)N(C)C)cc1	Cc1ccc(S(=O)(=O)NCCC(=N)N(C)C)cc1	mol14880	Cc1ccc(S(=O)(=O)NCCC(=N)N(C)C)cc1
9.84000015258789	QSARToolbox	1	0	Cc1ccc(S(=O)(=O)NCCC(=[NH2+])N(C)C)cc1,Cc1ccc(S(=O)(=O)[NH2+]CCC(=N)N(C)C)cc1	Cc1ccc(S(=O)(=O)NCCC(=N)N(C)C)cc1	mol14880	Cc1ccc(S(=O)(=O)NCCC(=N)N(C)C)cc1