pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.4	AttenGpKa training set	0	-1	C/N=C/c1c(COP(=O)(OC)OC)c[nH+]c(C)c1[O-],C/N=C/c1c(COP(=O)(OC)OC)cnc(C)c1O,C/[NH+]=C/c1c(COP(=O)(OC)OC)cnc(C)c1[O-]	C/N=C/c1c(COP(=O)(OC)OC)cnc(C)c1[O-]	mol29031	C/N=C/c1c(COP(=O)(OC)OC)cnc(C)c1O
5.8	AttenGpKa training set	1	0	C/[NH+]=C/c1c(COP(=O)(OC)OC)c[nH+]c(C)c1[O-],C/N=C/c1c(COP(=O)(OC)OC)c[nH+]c(C)c1O,C/[NH+]=C/c1c(COP(=O)(OC)OC)cnc(C)c1O	C/N=C/c1c(COP(=O)(OC)OC)c[nH+]c(C)c1[O-],C/N=C/c1c(COP(=O)(OC)OC)cnc(C)c1O,C/[NH+]=C/c1c(COP(=O)(OC)OC)cnc(C)c1[O-]	mol29031	C/N=C/c1c(COP(=O)(OC)OC)cnc(C)c1O