smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H]([NH3+])C(=O)OCC	ZINC000026749029	561819389	/nfs/dbraw/zinc/81/93/89/561819389.db2.gz	DUJYDQJMDBTHOL-ZIAGYGMSSA-N	1	1	529.528	0.430	1	5		KCBFMO
CCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H]([NH3+])C(=O)OCC	ZINC000026749034	561819396	/nfs/dbraw/zinc/81/93/96/561819396.db2.gz	DUJYDQJMDBTHOL-KGLIPLIRSA-N	1	1	529.528	0.430	1	5		KCBFMO
CCOC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H]([NH3+])C(=O)OCC	ZINC000026749038	561819406	/nfs/dbraw/zinc/81/94/06/561819406.db2.gz	DUJYDQJMDBTHOL-UONOGXRCSA-N	1	1	529.528	0.430	1	5		KCBFMO
CCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H]([NH3+])C(=O)OCC	ZINC000026749043	561819378	/nfs/dbraw/zinc/81/93/78/561819378.db2.gz	DUJYDQJMDBTHOL-KBPBESRZSA-N	1	1	529.528	0.430	1	5		KCBFMO
O=c1c2ccc3c(=O)n(CCCN4CCOCC4)c(=O)c4c(NCCC[NH+]5CCOCC5)cc(c(=O)n1CCCN1CCOCC1)c2c34	ZINC000029041142	561990967	/nfs/dbraw/zinc/99/09/67/561990967.db2.gz	SRLXDJRBNDFNKW-UHFFFAOYSA-N	1	1	662.788	0.644	1	5		KCBFMO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](C[C@H](O)Cn4cnc([N+](=O)[O-])c4)CC3)c(F)c2)C(=O)O1	ZINC000045284199	562660075	/nfs/dbraw/zinc/66/00/75/562660075.db2.gz	WMMGSNTWYGCJGL-ROUUACIJSA-N	1	1	505.507	0.575	1	5		KCBFMO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](C[C@@H](O)Cn4cnc([N+](=O)[O-])c4)CC3)c(F)c2)C(=O)O1	ZINC000045284201	562660110	/nfs/dbraw/zinc/66/01/10/562660110.db2.gz	WMMGSNTWYGCJGL-MSOLQXFVSA-N	1	1	505.507	0.575	1	5		KCBFMO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](C[C@@H](O)Cn4c(C)ncc4[N+](=O)[O-])CC3)c(F)c2)C(=O)O1	ZINC000045285277	562660164	/nfs/dbraw/zinc/66/01/64/562660164.db2.gz	UYWCJAUYDYZBTQ-MOPGFXCFSA-N	1	1	519.534	0.883	1	5		KCBFMO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](C[C@H](O)Cn4c(C)ncc4[N+](=O)[O-])CC3)c(F)c2)C(=O)O1	ZINC000045285281	562660169	/nfs/dbraw/zinc/66/01/69/562660169.db2.gz	UYWCJAUYDYZBTQ-OALUTQOASA-N	1	1	519.534	0.883	1	5		KCBFMO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000049694412	562669323	/nfs/dbraw/zinc/66/93/23/562669323.db2.gz	WXDIKUQVSDMFFJ-FULHUOFVSA-N	1	1	632.682	0.019	1	5		KCBFMO
CCOC(=O)CC[C@H](NC(=O)[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC	ZINC000073371657	562738431	/nfs/dbraw/zinc/73/84/31/562738431.db2.gz	IIWDNVUZCMPDNF-BBTUJRGHSA-N	1	1	538.554	0.814	1	5		KCBFMO
CCOC(=O)CC[C@@H](NC(=O)[C@H](CCC(=O)OCC)NC(=O)[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1)C(=O)OCC	ZINC000073371662	562738471	/nfs/dbraw/zinc/73/84/71/562738471.db2.gz	IIWDNVUZCMPDNF-WAOWUJCRSA-N	1	1	538.554	0.814	1	5		KCBFMO
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)SCCOCCSCC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[N@@H+](C)C1	ZINC000096922004	562801614	/nfs/dbraw/zinc/80/16/14/562801614.db2.gz	RUZLHYIFKXZKEC-YNDHVOHUSA-N	1	1	779.013	0.753	1	5		KCBFMO
CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H](C)SCCOCCSCC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[N@@H+](C)C1	ZINC000096922005	562801627	/nfs/dbraw/zinc/80/16/27/562801627.db2.gz	RUZLHYIFKXZKEC-PBBKVYRLSA-N	1	1	779.013	0.753	1	5		KCBFMO
CC(C)C[C@H](NC(=O)[C@H](C)NCc1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O	ZINC000169307669	562853898	/nfs/dbraw/zinc/85/38/98/562853898.db2.gz	FIJMGIYSTZOPHI-BIHRQFPBSA-O	1	1	549.737	0.019	1	5		KCBFMO