smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000020107978	553691138	/nfs/dbraw/zinc/69/11/38/553691138.db2.gz	WYGOVZNYLKAIMV-UHFFFAOYSA-N	0	1	506.522	1.590	40	5		KDBBMN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O	ZINC000060028319	554492235	/nfs/dbraw/zinc/49/22/35/554492235.db2.gz	ZKRRKPNOGJUJGH-UHFFFAOYSA-N	0	1	520.549	1.899	40	5		KDBBMN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O	ZINC000060028759	554495284	/nfs/dbraw/zinc/49/52/84/554495284.db2.gz	RCYOWTHOTKDYGU-UHFFFAOYSA-N	0	1	536.548	1.599	40	5		KDBBMN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(C)(=O)=O	ZINC000060060451	554499182	/nfs/dbraw/zinc/49/91/82/554499182.db2.gz	KBORYCODRLUKOA-UHFFFAOYSA-N	0	1	550.575	1.907	40	5		KDBBMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)n1	ZINC000139674536	571453347	/nfs/dbraw/zinc/45/33/47/571453347.db2.gz	UCOKCMNLYRIMML-UHFFFAOYSA-N	0	1	520.549	1.899	40	5		KDBBMN