pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.0	OCHEM	0	-1	NC(=O)N1c2ccccc2C=Cc2ccccc21	[NH-]C(=O)N1c2ccccc2C=Cc2ccccc21	mol29635	NC(=O)N1c2ccccc2C=Cc2ccccc21
13.94	AttenGpKa training set	0	-1	NC(=O)N1c2ccccc2C=Cc2ccccc21	[NH-]C(=O)N1c2ccccc2C=Cc2ccccc21	mol29635	NC(=O)N1c2ccccc2C=Cc2ccccc21
2.45	OCHEM	1	0	NC(=[OH+])N1c2ccccc2C=Cc2ccccc21	NC(=O)N1c2ccccc2C=Cc2ccccc21	mol29635	NC(=O)N1c2ccccc2C=Cc2ccccc21