pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.81	IUPAC digitized pKa	1	0	CNc1nc[nH+]c2scnc12,CNc1[nH+]cnc2scnc12,C[NH2+]c1ncnc2scnc12,CNc1ncnc2sc[nH+]c12	CNc1ncnc2scnc12	mol4969	CNc1ncnc2scnc12
2.84	Datawarrior	1	0	CNc1nc[nH+]c2scnc12,CNc1[nH+]cnc2scnc12,C[NH2+]c1ncnc2scnc12,CNc1ncnc2sc[nH+]c12	CNc1ncnc2scnc12	mol4969	CNc1ncnc2scnc12
2.8399999	OCHEM	1	0	CNc1nc[nH+]c2scnc12,CNc1[nH+]cnc2scnc12,C[NH2+]c1ncnc2scnc12,CNc1ncnc2sc[nH+]c12	CNc1ncnc2scnc12	mol4969	CNc1ncnc2scnc12