pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.21	Datawarrior	-2	-3	[O-]N=C1CCCC(=N\[O-])/C1=N/O,[O-]/N=C1\C(=NO)CCC\C1=N/[O-]	[O-]N=C1CCCC(=N\[O-])/C1=N/[O-]	mol12715	ON=C1CCCC(=N\O)/C1=N/O
8.12	Datawarrior	-2	-3	[O-]N=C1CCCC(=N\[O-])/C1=N/O,[O-]/N=C1\C(=NO)CCC\C1=N/[O-]	[O-]N=C1CCCC(=N\[O-])/C1=N/[O-]	mol12715	ON=C1CCCC(=N\O)/C1=N/O