pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.07	AttenGpKa training set	0	-1	OC(O)n1ccnc1	[O-]C(O)n1ccnc1,[O-]C([O-])n1cc[nH+]c1	mol25862	OC(O)n1ccnc1
7.27	AttenGpKa training set	1	0	OC(O)n1cc[nH+]c1	OC(O)n1ccnc1	mol25862	OC(O)n1ccnc1
8.47	AttenGpKa training set	1	0	OC(O)n1cc[nH+]c1	OC(O)n1ccnc1	mol25862	OC(O)n1ccnc1
6.03	AttenGpKa training set	1	0	OC(O)n1cc[nH+]c1	OC(O)n1ccnc1	mol25862	OC(O)n1ccnc1
14.98	AttenGpKa training set	-1	-2	[O-]C(O)n1ccnc1,[O-]C([O-])n1cc[nH+]c1	[O-]C([O-])n1ccnc1	mol25862	OC(O)n1ccnc1