smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	ZINC000027855483	561886508	/nfs/dbraw/zinc/88/65/08/561886508.db2.gz	NBEMHTFXFAVVJX-ZEQRLZLVSA-N	-1	1	566.592	2.699	1	5		KFBFMM
COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1[O-]	ZINC000028712807	561953401	/nfs/dbraw/zinc/95/34/01/561953401.db2.gz	HBQYXGCOBZXONZ-HJOGWXRNSA-N	-1	1	604.620	2.603	1	5		KFBFMM
CC(C)[C@H](NC(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000028712809	561953415	/nfs/dbraw/zinc/95/34/15/561953415.db2.gz	YWPWFFZDKLSEFG-YCVJPRETSA-N	-1	1	682.694	2.861	1	5		KFBFMM
CO[C@H]1[C@H](O)[C@H]2[C@@H](O[C@@H]1CO)n1c3ccc([N+](=O)[O-])cc3c3c4c(c5c6ccccc6n2c5c31)C(=O)[N-]C4=O	ZINC000028762779	561958582	/nfs/dbraw/zinc/95/85/82/561958582.db2.gz	LTVFJQRLTQTTKP-SFSUPHRBSA-N	-1	1	528.477	2.515	1	5		KFBFMM
O=c1nc([O-])c2c([nH]1)-c1cc3c(cc1N[C@@H]2c1cccc([N+](=O)[O-])c1)-c1[nH]c(=O)[nH]c(=O)c1[C@H](c1cccc([N+](=O)[O-])c1)N3	ZINC000096906890	562798940	/nfs/dbraw/zinc/79/89/40/562798940.db2.gz	MCFUUEOZHRDMOF-SZPZYZBQSA-N	-1	1	594.500	2.620	1	5		KFBFMM
O=c1nc([O-])c2c([nH]1)-c1cc3c(cc1N[C@H]2c1cccc([N+](=O)[O-])c1)-c1[nH]c(=O)[nH]c(=O)c1[C@@H](c1cccc([N+](=O)[O-])c1)N3	ZINC000096906890	562798939	/nfs/dbraw/zinc/79/89/39/562798939.db2.gz	MCFUUEOZHRDMOF-SZPZYZBQSA-N	-1	1	594.500	2.620	1	5		KFBFMM
O=c1nc([O-])[nH]c2c1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1cc3c(cc1-2)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(=O)[nH]c(=O)[nH]c1-3	ZINC000096906890	562798938	/nfs/dbraw/zinc/79/89/38/562798938.db2.gz	MCFUUEOZHRDMOF-SZPZYZBQSA-N	-1	1	594.500	2.620	1	5		KFBFMM
O=c1nc([O-])c2c([nH]1)-c1cc3c(cc1N[C@H]2c1ccc([N+](=O)[O-])cc1)-c1[nH]c(=O)[nH]c(=O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)N3	ZINC000096906893	562798953	/nfs/dbraw/zinc/79/89/53/562798953.db2.gz	CWXAXSKHIKSQOV-SZPZYZBQSA-N	-1	1	594.500	2.620	1	5		KFBFMM
O=c1nc([O-])c2c([nH]1)-c1cc3c(cc1N[C@@H]2c1ccc([N+](=O)[O-])cc1)-c1[nH]c(=O)[nH]c(=O)c1[C@H](c1ccc([N+](=O)[O-])cc1)N3	ZINC000096906893	562798952	/nfs/dbraw/zinc/79/89/52/562798952.db2.gz	CWXAXSKHIKSQOV-SZPZYZBQSA-N	-1	1	594.500	2.620	1	5		KFBFMM
O=c1nc([O-])[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1cc3c(cc1-2)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(=O)[nH]c(=O)[nH]c1-3	ZINC000096906893	562798951	/nfs/dbraw/zinc/79/89/51/562798951.db2.gz	CWXAXSKHIKSQOV-SZPZYZBQSA-N	-1	1	594.500	2.620	1	5		KFBFMM