pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.64	Datawarrior	1	0	S=C(/N=N/c1ccccc1)N[NH2+]c1ccccc1,S=C(/N=[NH+]/c1ccccc1)NNc1ccccc1	S=C(/N=N/c1ccccc1)NNc1ccccc1	mol14908	S=C(/N=N/c1ccccc1)NNc1ccccc1
4.5	AttenGpKa training set	1	0	S=C(/N=N/c1ccccc1)N[NH2+]c1ccccc1,S=C(/N=[NH+]/c1ccccc1)NNc1ccccc1	S=C(/N=N/c1ccccc1)NNc1ccccc1	mol14908	S=C(/N=N/c1ccccc1)NNc1ccccc1