pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.85	Datawarrior	0	-1	O/N=C/c1ccco1	[O-]/N=C/c1ccco1	mol12403	O/N=C/c1ccco1
10.8500003814697	QSARToolbox	0	-1	O/N=C/c1ccco1	[O-]/N=C/c1ccco1	mol12403	O/N=C/c1ccco1
10.99	AttenGpKa training set	0	-1	O/N=C/c1ccco1	[O-]/N=C/c1ccco1	mol12403	O/N=C/c1ccco1
