pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.08	AttenGpKa training set	-1	-2	[O-]c1ncnc2c1N=C(O)[C@@H](O)N2,[O-]C1=Nc2c(O)ncnc2N[C@@H]1O	[O-][C-]1Nc2ncnc(O)c2N=C1O,[O-][C@H]1[N-]c2ncnc(O)c2N=C1O,[O-]C1=Nc2c([O-])ncnc2N[C@@H]1O,OC1=Nc2c(O)ncnc2[N-][C-]1O,[O-]C1=Nc2c(O)ncnc2N[C-]1O,[O-]C1=Nc2c(O)ncnc2[N-][C@@H]1O	mol26247	OC1=Nc2c(O)ncnc2NC1O
8.34	AttenGpKa training set	-1	-2	[O-]c1ncnc2c1N=C(O)[C@@H](O)N2,[O-]C1=Nc2c(O)ncnc2N[C@@H]1O	[O-][C-]1Nc2ncnc(O)c2N=C1O,[O-][C@H]1[N-]c2ncnc(O)c2N=C1O,[O-]C1=Nc2c([O-])ncnc2N[C@@H]1O,OC1=Nc2c(O)ncnc2[N-][C-]1O,[O-]C1=Nc2c(O)ncnc2N[C-]1O,[O-]C1=Nc2c(O)ncnc2[N-][C@@H]1O	mol26247	OC1=Nc2c(O)ncnc2NC1O