smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](CC)(CC)CCOC(=O)CCCCC(=O)OCC[N+](CC)(CC)CC	ZINC000004646659	557575063	/nfs/dbraw/zinc/57/50/63/557575063.db2.gz	LKBCGOJIUNCKFM-UHFFFAOYSA-N	2	0	402.620	3.386	50	5		HGBARP
O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)n1	ZINC000170606834	569244876	/nfs/dbraw/zinc/24/48/76/569244876.db2.gz	MSWJSAXEYCPJJU-SFTDATJTSA-N	2	0	413.522	3.022	50	5		HGBARP
O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)n1	ZINC000170606833	569244894	/nfs/dbraw/zinc/24/48/94/569244894.db2.gz	MSWJSAXEYCPJJU-RTWAWAEBSA-N	2	0	413.522	3.022	50	5		HGBARP
O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1	ZINC000170606826	569244888	/nfs/dbraw/zinc/24/48/88/569244888.db2.gz	KHJVUDSKJNIBPC-SFTDATJTSA-N	2	0	413.522	3.022	50	5		HGBARP
O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)n1	ZINC000170606836	569244944	/nfs/dbraw/zinc/24/49/44/569244944.db2.gz	MSWJSAXEYCPJJU-LEWJYISDSA-N	2	0	413.522	3.022	50	5		HGBARP
O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)n1	ZINC000170606835	569244941	/nfs/dbraw/zinc/24/49/41/569244941.db2.gz	MSWJSAXEYCPJJU-NHCUHLMSSA-N	2	0	413.522	3.022	50	5		HGBARP
O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1	ZINC000170606825	569244920	/nfs/dbraw/zinc/24/49/20/569244920.db2.gz	KHJVUDSKJNIBPC-RTWAWAEBSA-N	2	0	413.522	3.022	50	5		HGBARP
C[NH+](C)CCCN(CCC[NH+](C)C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000009086979	571219728	/nfs/dbraw/zinc/21/97/28/571219728.db2.gz	RNRJUDITNBFLKS-UHFFFAOYSA-N	2	0	421.420	3.232	50	5		HGBARP
O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1	ZINC000170606828	569244923	/nfs/dbraw/zinc/24/49/23/569244923.db2.gz	KHJVUDSKJNIBPC-LEWJYISDSA-N	2	0	413.522	3.022	50	5		HGBARP
O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1	ZINC000170606827	569244882	/nfs/dbraw/zinc/24/48/82/569244882.db2.gz	KHJVUDSKJNIBPC-NHCUHLMSSA-N	2	0	413.522	3.022	50	5		HGBARP