smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1	ZINC000160602878	551583251	/nfs/dbraw/zinc/58/32/51/551583251.db2.gz	GFOTYBZLOVIMBD-OAHLLOKOSA-N	2	1	393.329	2.656	20	70		GFIDMP
C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1	ZINC000160466440	551581310	/nfs/dbraw/zinc/58/13/10/551581310.db2.gz	HAORQDLGFAIUSL-HNNXBMFYSA-N	2	1	393.329	2.656	20	70		GFIDMP
C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br	ZINC000161035583	551589038	/nfs/dbraw/zinc/58/90/38/551589038.db2.gz	CEJWJXLQBNDOMW-PBHICJAKSA-N	2	1	382.346	2.727	20	70		GFIDMP
C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br	ZINC000161035698	551589160	/nfs/dbraw/zinc/58/91/60/551589160.db2.gz	CEJWJXLQBNDOMW-YOEHRIQHSA-N	2	1	382.346	2.727	20	70		GFIDMP
C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1	ZINC000160602761	551583295	/nfs/dbraw/zinc/58/32/95/551583295.db2.gz	GFOTYBZLOVIMBD-HNNXBMFYSA-N	2	1	393.329	2.656	20	70		GFIDMP
COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1	ZINC000159598533	551567498	/nfs/dbraw/zinc/56/74/98/551567498.db2.gz	VQEOCVGTZUCKKI-KBPBESRZSA-N	2	1	398.345	2.650	20	70		GFIDMP
CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+](C)C	ZINC000160841997	551586013	/nfs/dbraw/zinc/58/60/13/551586013.db2.gz	RHECUCIZLBCJTG-KRWDZBQOSA-N	2	1	382.346	2.870	20	70		GFIDMP
COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1	ZINC000159598271	551567313	/nfs/dbraw/zinc/56/73/13/551567313.db2.gz	VQEOCVGTZUCKKI-UONOGXRCSA-N	2	1	398.345	2.650	20	70		GFIDMP
COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1	ZINC000159605441	551567954	/nfs/dbraw/zinc/56/79/54/551567954.db2.gz	NLMTVOSHKLUFPF-DYVFJYSZSA-N	2	1	398.345	2.507	20	70		GFIDMP
C[C@H]1C[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C	ZINC000161031139	551588993	/nfs/dbraw/zinc/58/89/93/551588993.db2.gz	VFHRUZWWFDMUNQ-GOEBONIOSA-N	2	1	382.346	2.870	20	70		GFIDMP
C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1	ZINC000160466562	551580994	/nfs/dbraw/zinc/58/09/94/551580994.db2.gz	HAORQDLGFAIUSL-OAHLLOKOSA-N	2	1	393.329	2.656	20	70		GFIDMP
COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1	ZINC000159598131	551567610	/nfs/dbraw/zinc/56/76/10/551567610.db2.gz	VQEOCVGTZUCKKI-ZIAGYGMSSA-N	2	1	398.345	2.650	20	70		GFIDMP
COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1	ZINC000159598409	551567492	/nfs/dbraw/zinc/56/74/92/551567492.db2.gz	VQEOCVGTZUCKKI-KGLIPLIRSA-N	2	1	398.345	2.650	20	70		GFIDMP
C[C@H]1C[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C	ZINC000161031383	551588920	/nfs/dbraw/zinc/58/89/20/551588920.db2.gz	VFHRUZWWFDMUNQ-HOCLYGCPSA-N	2	1	382.346	2.870	20	70		GFIDMP
C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C	ZINC000161031262	551589106	/nfs/dbraw/zinc/58/91/06/551589106.db2.gz	VFHRUZWWFDMUNQ-ZBFHGGJFSA-N	2	1	382.346	2.870	20	70		GFIDMP
COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1	ZINC000159605585	551568050	/nfs/dbraw/zinc/56/80/50/551568050.db2.gz	NLMTVOSHKLUFPF-GUYCJALGSA-N	2	1	398.345	2.507	20	70		GFIDMP
C[C@@H]1C[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C	ZINC000161031016	551589237	/nfs/dbraw/zinc/58/92/37/551589237.db2.gz	VFHRUZWWFDMUNQ-GDBMZVCRSA-N	2	1	382.346	2.870	20	70		GFIDMP
CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+](C)C	ZINC000160842095	551585881	/nfs/dbraw/zinc/58/58/81/551585881.db2.gz	RHECUCIZLBCJTG-QGZVFWFLSA-N	2	1	382.346	2.870	20	70		GFIDMP