pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	AttenGpKa training set	0	-1	O=C/C=C/Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	O=C/C=C/[N-]c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	mol29741	O=C/C=C/Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1