pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.49	Datawarrior	1	0	Cc1ccc(S(=O)(=O)NCCC(N)=[NH2+])cc1	Cc1ccc(S(=O)(=O)NCCC(=N)N)cc1	mol14479	Cc1ccc(S(=O)(=O)NCCC(=N)N)cc1
10.8	Datawarrior	1	0	Cc1ccc(S(=O)(=O)NCCC(N)=[NH2+])cc1	Cc1ccc(S(=O)(=O)NCCC(=N)N)cc1	mol14479	Cc1ccc(S(=O)(=O)NCCC(=N)N)cc1
9.4899998	OCHEM	1	0	Cc1ccc(S(=O)(=O)NCCC(N)=[NH2+])cc1	Cc1ccc(S(=O)(=O)NCCC(=N)N)cc1	mol14479	Cc1ccc(S(=O)(=O)NCCC(=N)N)cc1
10.8000001907349	QSARToolbox	1	0	Cc1ccc(S(=O)(=O)NCCC(N)=[NH2+])cc1	Cc1ccc(S(=O)(=O)NCCC(=N)N)cc1	mol14479	Cc1ccc(S(=O)(=O)NCCC(=N)N)cc1