pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.07000017166138	QSARToolbox	0	-1	CCCCCCCC(=O)[C@H]1C(=O)N(c2ccccc2)N=C1C	CCCCCCCC(=O)[c-]1c(C)nn(-c2ccccc2)c1=O	mol30328	CCCCCCCC(=O)C1C(=O)N(c2ccccc2)N=C1C
5.09	AttenGpKa training set	0	-1	CCCCCCCC(=O)[C@H]1C(=O)N(c2ccccc2)N=C1C	CCCCCCCC(=O)[c-]1c(C)nn(-c2ccccc2)c1=O	mol30328	CCCCCCCC(=O)C1C(=O)N(c2ccccc2)N=C1C