smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[C@@H](C)[N@H+]2CCc3ncc(CN4CCCC4)n3CC2)c([N+](=O)[O-])c1	ZINC001170343429	1077953850	/nfs/dbraw/zinc/95/38/50/1077953850.db2.gz	ZIHUHLXGLQPKRO-QGZVFWFLSA-N	1	3	413.522	2.885	20	5		HFBDHO
COc1ccc(C[C@@H](C)[N@@H+]2CCc3ncc(CN4CCCC4)n3CC2)c([N+](=O)[O-])c1	ZINC001170343429	1077953853	/nfs/dbraw/zinc/95/38/53/1077953853.db2.gz	ZIHUHLXGLQPKRO-QGZVFWFLSA-N	1	3	413.522	2.885	20	5		HFBDHO
C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788646924	1077224047	/nfs/dbraw/zinc/22/40/47/1077224047.db2.gz	TXAQUBOITJWLSR-INIZCTEOSA-N	1	3	411.506	2.853	20	5		HFBDHO
[NH3+]C1CCN(CCc2cn(-c3c[n+]([O-])c(Cl)cc3[N+](=O)[O-])c3ccccc23)CC1	ZINC001170524935	1080641028	/nfs/dbraw/zinc/64/10/28/1080641028.db2.gz	PHVPDRBKKIXAAP-UHFFFAOYSA-N	1	3	415.881	2.791	20	5		HFBDHO
[NH3+]C1CCN(CCc2cn(-c3ncnc(Cl)c3[N+](=O)[O-])c3ccccc23)CC1	ZINC001170523009	1080567189	/nfs/dbraw/zinc/56/71/89/1080567189.db2.gz	XAEAVBNQUUXIHD-UHFFFAOYSA-N	1	3	400.870	2.948	20	5		HFBDHO
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc4c(cc3[N+](=O)[O-])CNC4)cc2)CC1	ZINC001170492714	1079359978	/nfs/dbraw/zinc/35/99/78/1079359978.db2.gz	BVKPLNULEMTRDK-QQFBHYJXSA-N	1	3	409.490	2.570	20	5		HFBDHO
COc1ccc(C[C@H](C)NC2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1	ZINC001170306560	1077947594	/nfs/dbraw/zinc/94/75/94/1077947594.db2.gz	XNEKHQAYVRSULN-HNNXBMFYSA-N	1	3	422.526	2.852	20	5		HFBDHO
COc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc(C)c1[N+](=O)[O-]	ZINC001170523669	1080593101	/nfs/dbraw/zinc/59/31/01/1080593101.db2.gz	ATCKRRBQLYFQOI-UHFFFAOYSA-N	1	3	410.478	2.611	20	5		HFBDHO
COc1ccc(C[C@@H](C)NC2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1	ZINC001170306561	1077947663	/nfs/dbraw/zinc/94/76/63/1077947663.db2.gz	XNEKHQAYVRSULN-OAHLLOKOSA-N	1	3	422.526	2.852	20	5		HFBDHO
COc1nc(C)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1[N+](=O)[O-]	ZINC001170524299	1080607980	/nfs/dbraw/zinc/60/79/80/1080607980.db2.gz	KLTARPIAYQWONR-UHFFFAOYSA-N	1	3	410.478	2.611	20	5		HFBDHO
C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788646927	1077224398	/nfs/dbraw/zinc/22/43/98/1077224398.db2.gz	TXAQUBOITJWLSR-MRXNPFEDSA-N	1	3	411.506	2.853	20	5		HFBDHO
[NH3+]C1CCN(CCc2cn(-c3ncnc4[nH]cc([N+](=O)[O-])c43)c3ccccc23)CC1	ZINC001170526121	1080678237	/nfs/dbraw/zinc/67/82/37/1080678237.db2.gz	PVNXEHVHJZNEPD-UHFFFAOYSA-N	1	3	405.462	2.776	20	5		HFBDHO
COC(=O)c1cc([N+](=O)[O-])cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1	ZINC001170523791	1080596975	/nfs/dbraw/zinc/59/69/75/1080596975.db2.gz	CXJXGADWRWAVCR-UHFFFAOYSA-N	1	3	423.473	2.686	20	5		HFBDHO
COc1ccc(C[C@H](C)[N@H+]2CCc3ncc(CN4CCCC4)n3CC2)c([N+](=O)[O-])c1	ZINC001170343427	1077953892	/nfs/dbraw/zinc/95/38/92/1077953892.db2.gz	ZIHUHLXGLQPKRO-KRWDZBQOSA-N	1	3	413.522	2.885	20	5		HFBDHO
COc1ccc(C[C@H](C)[N@@H+]2CCc3ncc(CN4CCCC4)n3CC2)c([N+](=O)[O-])c1	ZINC001170343427	1077953895	/nfs/dbraw/zinc/95/38/95/1077953895.db2.gz	ZIHUHLXGLQPKRO-KRWDZBQOSA-N	1	3	413.522	2.885	20	5		HFBDHO
C[NH+]1CCC(N2CCC(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)CC1	ZINC000790601631	1078064919	/nfs/dbraw/zinc/06/49/19/1078064919.db2.gz	PCLPEKAGHBPIRA-UHFFFAOYSA-N	1	3	412.893	2.605	20	5		HFBDHO