pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.04	IUPAC digitized pKa	1	0	CNc1nc([NH2+]C)nc2[nH]ncc12,CNc1nc(NC)c2c[nH+][nH]c2n1,CNc1nc(NC)c2cn[nH]c2[nH+]1,CNc1nc([NH2+]C)c2cn[nH]c2n1,CNc1nc2[nH]ncc2c(NC)[nH+]1	CNc1nc(NC)c2cn[nH]c2n1	mol4934	CNc1nc(NC)c2cn[nH]c2n1
6.08	Datawarrior	1	0	CNc1nc([NH2+]C)nc2[nH]ncc12,CNc1nc(NC)c2c[nH+][nH]c2n1,CNc1nc(NC)c2cn[nH]c2[nH+]1,CNc1nc([NH2+]C)c2cn[nH]c2n1,CNc1nc2[nH]ncc2c(NC)[nH+]1	CNc1nc(NC)c2cn[nH]c2n1	mol4934	CNc1nc(NC)c2cn[nH]c2n1
6.0799999	OCHEM	1	0	CNc1nc([NH2+]C)nc2[nH]ncc12,CNc1nc(NC)c2c[nH+][nH]c2n1,CNc1nc(NC)c2cn[nH]c2[nH+]1,CNc1nc([NH2+]C)c2cn[nH]c2n1,CNc1nc2[nH]ncc2c(NC)[nH+]1	CNc1nc(NC)c2cn[nH]c2n1	mol4934	CNc1nc(NC)c2cn[nH]c2n1
6.07999992370606	QSARToolbox	1	0	CNc1nc([NH2+]C)nc2[nH]ncc12,CNc1nc(NC)c2c[nH+][nH]c2n1,CNc1nc(NC)c2cn[nH]c2[nH+]1,CNc1nc([NH2+]C)c2cn[nH]c2n1,CNc1nc2[nH]ncc2c(NC)[nH+]1	CNc1nc(NC)c2cn[nH]c2n1	mol4934	CNc1nc(NC)c2cn[nH]c2n1