smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CN=Nc2n[n-]c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)c([N+](=O)[O-])cc1O	ZINC000020228001	553616450	/nfs/dbraw/zinc/61/64/50/553616450.db2.gz	YCEUPVCPFQCHKA-LIMNOBDPSA-N	-1	1	511.442	3.623	10	30		KHEEMM
CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)[N-]S(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F	ZINC000043153259	554297502	/nfs/dbraw/zinc/29/75/02/554297502.db2.gz	LGSDFTPAICUONK-UHFFFAOYSA-N	-1	1	523.955	3.702	10	30	investigational	KHEEMM
CNc1cc2[nH]c(=O)n(-c3ccc(NC([O-])=NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F	ZINC000043153259	554297499	/nfs/dbraw/zinc/29/74/99/554297499.db2.gz	LGSDFTPAICUONK-UHFFFAOYSA-N	-1	1	523.955	3.702	10	30	investigational	KHEEMM
Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCNC(=NC(=O)OC(C)(C)C)[N-]C(=O)OC(C)(C)C)ccc12	ZINC000096307253	553749438	/nfs/dbraw/zinc/74/94/38/553749438.db2.gz	TUBIJMCTIUBMPU-SFHVURJKSA-N	-1	1	531.610	3.757	10	30		KHEEMM