pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	QSARToolbox	0	-1	CC[NH2+]/C(=C/C(=O)c1cccc(S(=O)(=O)[O-])c1)n1ccnc1,CCN/C(=C/C(=O)c1cccc(S(=O)(=O)[O-])c1)n1cc[nH+]c1,CCN/C(=C/C(=O)c1cccc(S(=O)(=O)O)c1)n1ccnc1	CCN/C(=C/C(=O)c1cccc(S(=O)(=O)[O-])c1)n1ccnc1	mol35827	CCN/C(=C/C(=O)c1cccc(S(=O)(=O)O)c1)n1ccnc1