smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000008694287	553119177	/nfs/dbraw/zinc/11/91/77/553119177.db2.gz	BUPGAQRVFVNKEG-CPDSRJINSA-N	-1	1	573.582	4.834	10	30		KJEEMM
O=C(CSc1nnc(NN=Cc2ccc(OCc3ccc(F)cc3)o2)[n-]1)NC1C2CC3CC(C2)CC1C3	ZINC000020424859	553647905	/nfs/dbraw/zinc/64/79/05/553647905.db2.gz	HMFNTJGSAOZYBH-KVSWJAHQSA-N	-1	1	524.622	4.595	10	30		KJEEMM
O=C(CSc1nnc(NN=Cc2ccccc2OCc2cccc(Br)c2)[n-]1)Nc1nccs1	ZINC000103566244	555450482	/nfs/dbraw/zinc/45/04/82/555450482.db2.gz	DPQZZDFDYCONCE-BHGWPJFGSA-N	-1	1	544.460	4.780	10	30		KJEEMM
Cc1nc(SCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C#N)c(C)c1C=C(O)c1ccc(Br)cc1	ZINC000103614017	555455905	/nfs/dbraw/zinc/45/59/05/555455905.db2.gz	DCSCKDDSMGRSEZ-UHFFFAOYSA-N	-1	1	554.422	4.893	10	30		KJEEMM