pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.555	AttenGpKa training set	0	-1	O/N=C(Cl)/C(=N/O)c1ccccc1	[O-]/N=C(C(/Cl)=N/O)\c1ccccc1,[O-]/N=C(Cl)/C(=N/O)c1ccccc1	mol31614	O/N=C(Cl)/C(=N/O)c1ccccc1