pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.33	AttenGpKa training set	0	-1	O/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3	[O-]/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3,[O-]c1c(Br)cc2oc3c(c2c1/C=N/O)CCCC3	mol29824	O/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3
11.46	AttenGpKa training set	-1	-2	[O-]/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3,[O-]c1c(Br)cc2oc3c(c2c1/C=N/O)CCCC3	[O-]/N=C/c1c([O-])c(Br)cc2oc3c(c12)CCCC3	mol29824	O/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3