pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.25	QSARToolbox	1	0	Cc1ccc(CN2C=C[C@H](C#[NH+])C(C(N)=O)=C2)cc1,Cc1ccc(C[NH+]2C=C[C@H](C#N)C(C(N)=O)=C2)cc1,Cc1ccc(CN2C=C[C@H](C#N)C(C(N)=[OH+])=C2)cc1	Cc1ccc(CN2C=C[C@H](C#N)C(C(N)=O)=C2)cc1	mol35563	Cc1ccc(CN2C=CC(C#N)C(C(N)=O)=C2)cc1