pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.589999973773956	QSARToolbox	1	0	[NH+]#C[C@@H]1C=CN(Cc2ccc(Br)cc2)C=C1C(N)=O,N#C[C@@H]1C=CN(Cc2ccc(Br)cc2)C=C1C(N)=[OH+],N#C[C@@H]1C=C[NH+](Cc2ccc(Br)cc2)C=C1C(N)=O	N#C[C@@H]1C=CN(Cc2ccc(Br)cc2)C=C1C(N)=O	mol36488	N#CC1C=CN(Cc2ccc(Br)cc2)C=C1C(N)=O