pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.389999985694885	QSARToolbox	1	0	[NH+]#C[C@@H]1C=CN(Cc2ccccc2)C=C1C(N)=O,N#C[C@@H]1C=C[NH+](Cc2ccccc2)C=C1C(N)=O,N#C[C@@H]1C=CN(Cc2ccccc2)C=C1C(N)=[OH+]	N#C[C@@H]1C=CN(Cc2ccccc2)C=C1C(N)=O	mol36492	N#CC1C=CN(Cc2ccccc2)C=C1C(N)=O