pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.16	Datawarrior	1	0	N#CCC[n+]1cccc(C(N)=O)c1	N#CCC[n+]1cccc(C([NH-])=O)c1,N#CC[CH-][n+]1cccc(C(N)=O)c1	mol13344	N#CCC[n+]1cccc(C(N)=O)c1
13.1599998474121	QSARToolbox	1	0	N#CCC[n+]1cccc(C(N)=O)c1	N#CCC[n+]1cccc(C([NH-])=O)c1,N#CC[CH-][n+]1cccc(C(N)=O)c1	mol13344	N#CCC[n+]1cccc(C(N)=O)c1