smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000002539570	180933252	/nfs/dbraw/zinc/93/32/52/180933252.db2.gz	IFBHRQDFSNCLOZ-PREPNJAASA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000003956716	181058731	/nfs/dbraw/zinc/05/87/31/181058731.db2.gz	IFBHRQDFSNCLOZ-KKJSVHSVSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000005227218	181218946	/nfs/dbraw/zinc/21/89/46/181218946.db2.gz	IFBHRQDFSNCLOZ-LZQZFOIKSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000005227195	181219169	/nfs/dbraw/zinc/21/91/69/181219169.db2.gz	IFBHRQDFSNCLOZ-OOCWMUITSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000008579615	373706849	/nfs/dbraw/zinc/70/68/49/373706849.db2.gz	KUWPCJHYPSUOFW-DGORSVRFSA-N	0	0	301.251	-1.227	10	5		DABERN
NC(=O)c1[nH]nc(-c2n[nH]c(C(N)=O)c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000020428598	190646186	/nfs/dbraw/zinc/64/61/86/190646186.db2.gz	RQSYVVRTPWABBP-UHFFFAOYSA-N	0	0	310.186	-1.186	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]2O)cc1	ZINC000077311686	191690990	/nfs/dbraw/zinc/69/09/90/191690990.db2.gz	RMQNVZDXEMOJCW-MTVMDMGHSA-N	0	0	301.251	-1.227	10	5	in-vitro	DABERN
O=[N+]([O-])c1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1	ZINC000015205837	181991936	/nfs/dbraw/zinc/99/19/36/181991936.db2.gz	VCCMGHVCRFMITI-LZQZFOIKSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])N1CC([N+](=O)[O-])([N+](=O)[O-])CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC000104840135	373615234	/nfs/dbraw/zinc/61/52/34/373615234.db2.gz	IBPRZWSDOFZNQF-UHFFFAOYSA-N	0	0	310.135	-1.617	10	5		DABERN
O=[N+]([O-])c1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c1	ZINC000072127581	372784193	/nfs/dbraw/zinc/78/41/93/372784193.db2.gz	VCCMGHVCRFMITI-IYKVGLELSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000001070450	373149831	/nfs/dbraw/zinc/14/98/31/373149831.db2.gz	KUWPCJHYPSUOFW-PZWNZHSQSA-N	0	0	301.251	-1.227	10	5		DABERN
CC(COCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000103605418	373613275	/nfs/dbraw/zinc/61/32/75/373613275.db2.gz	YKAXXNUYOIDGPA-UHFFFAOYSA-N	0	0	313.135	-1.244	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000022064946	182307780	/nfs/dbraw/zinc/30/77/80/182307780.db2.gz	IFBHRQDFSNCLOZ-UHFZAUJKSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@@H]2O)cc1	ZINC000504729554	257139117	/nfs/dbraw/zinc/13/91/17/257139117.db2.gz	RMQNVZDXEMOJCW-RMPHRYRLSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000012359966	190636292	/nfs/dbraw/zinc/63/62/92/190636292.db2.gz	IFBHRQDFSNCLOZ-JCIQBVFBSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccccc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000005227299	181218769	/nfs/dbraw/zinc/21/87/69/181218769.db2.gz	KUWPCJHYPSUOFW-UHFZAUJKSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1cccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1	ZINC000012501724	373184999	/nfs/dbraw/zinc/18/49/99/373184999.db2.gz	VCCMGHVCRFMITI-GCHJQGSQSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]([C@@H](O)CO)[C@@H](O)[C@H]2O)cc1	ZINC000065748174	373419849	/nfs/dbraw/zinc/41/98/49/373419849.db2.gz	RMQNVZDXEMOJCW-HHHUOAJASA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000584656904	337378116	/nfs/dbraw/zinc/37/81/16/337378116.db2.gz	GRKSGZXRQBUGGX-JZWZECNXSA-N	0	0	301.251	-1.840	10	5		DABERN
O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000005227308	181219213	/nfs/dbraw/zinc/21/92/13/181219213.db2.gz	KUWPCJHYPSUOFW-WTPMCQDGSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccccc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000003956720	373692608	/nfs/dbraw/zinc/69/26/08/373692608.db2.gz	KUWPCJHYPSUOFW-KKJSVHSVSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)cc1	ZINC000014614132	373439377	/nfs/dbraw/zinc/43/93/77/373439377.db2.gz	RMQNVZDXEMOJCW-WTPMCQDGSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H]2O)cc1	ZINC000014614133	373439876	/nfs/dbraw/zinc/43/98/76/373439876.db2.gz	RMQNVZDXEMOJCW-UHFZAUJKSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000003956733	181059649	/nfs/dbraw/zinc/05/96/49/181059649.db2.gz	KUWPCJHYPSUOFW-LZQZFOIKSA-N	0	0	301.251	-1.227	10	5		DABERN
CC(=O)OCN(CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	ZINC000103535165	372853261	/nfs/dbraw/zinc/85/32/61/372853261.db2.gz	LRFGIYSONLTFQJ-UHFFFAOYSA-N	0	0	311.163	-1.125	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000012359967	373659844	/nfs/dbraw/zinc/65/98/44/373659844.db2.gz	IFBHRQDFSNCLOZ-PZWNZHSQSA-N	0	0	301.251	-1.227	10	5		DABERN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1	ZINC000096331746	257133613	/nfs/dbraw/zinc/13/36/13/257133613.db2.gz	RMQNVZDXEMOJCW-LZQZFOIKSA-N	0	0	301.251	-1.227	10	5		DABERN