smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263079151	154252903	/nfs/dbraw/zinc/25/29/03/154252903.db2.gz	KWIVEYJNFLDSTG-KWQFWETISA-N	-1	0	339.304	-0.071	10	5		EBBERM
CC(=O)Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000169531634	377431273	/nfs/dbraw/zinc/43/12/73/377431273.db2.gz	ICXKGRMAIPXLBF-PRJMDXOYSA-N	-1	0	327.297	-0.820	10	5		EBBERM
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000263089676	154253135	/nfs/dbraw/zinc/25/31/35/154253135.db2.gz	UEGNSPCWYGSEID-SNVBAGLBSA-N	-1	0	343.317	-0.499	10	5		EBBERM
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000263089674	154252949	/nfs/dbraw/zinc/25/29/49/154252949.db2.gz	UEGNSPCWYGSEID-JTQLQIEISA-N	-1	0	343.317	-0.499	10	5		EBBERM
Cc1ccc(S(=O)(=O)N(Cc2nnn[n-]2)[N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000020407195	212125286	/nfs/dbraw/zinc/12/52/86/212125286.db2.gz	PDUIAEGMCWAKJP-UHFFFAOYSA-N	-1	0	343.281	-0.201	10	5		EBBERM
CCN(CCO)c1nc[n-]c(=NN2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000040614050	213358105	/nfs/dbraw/zinc/35/81/05/213358105.db2.gz	NSTKKGLMKQSBLF-UHFFFAOYSA-N	-1	0	325.373	-0.222	10	5		EBBERM
Nc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000263012911	154252742	/nfs/dbraw/zinc/25/27/42/154252742.db2.gz	CKIIUFBFIUTUGI-SNVBAGLBSA-N	-1	0	343.317	-0.499	10	5		EBBERM
CO[C@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263079147	154253491	/nfs/dbraw/zinc/25/34/91/154253491.db2.gz	KWIVEYJNFLDSTG-GZMMTYOYSA-N	-1	0	339.304	-0.071	10	5		EBBERM
Nc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000263012909	154252930	/nfs/dbraw/zinc/25/29/30/154252930.db2.gz	CKIIUFBFIUTUGI-JTQLQIEISA-N	-1	0	343.317	-0.499	10	5		EBBERM
CO[C@H](CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263079152	154253445	/nfs/dbraw/zinc/25/34/45/154253445.db2.gz	KWIVEYJNFLDSTG-LDYMZIIASA-N	-1	0	339.304	-0.071	10	5		EBBERM
CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263079149	154253171	/nfs/dbraw/zinc/25/31/71/154253171.db2.gz	KWIVEYJNFLDSTG-KCJUWKMLSA-N	-1	0	339.304	-0.071	10	5		EBBERM