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(C[NH+]4CCCC4)n3CC2)c([N+](=O)[O-])c1	ZINC001170343429	1077953845	/nfs/dbraw/zinc/95/38/45/1077953845.db2.gz	ZIHUHLXGLQPKRO-QGZVFWFLSA-N	2	0	413.522	2.885	20	5		HFBDRP
C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788646924	1077224041	/nfs/dbraw/zinc/22/40/41/1077224041.db2.gz	TXAQUBOITJWLSR-INIZCTEOSA-N	2	0	411.506	2.853	20	5		HFBDRP
[NH3+]C1CC[NH+](CCc2cn(-c3c[n+]([O-])c(Cl)cc3[N+](=O)[O-])c3ccccc23)CC1	ZINC001170524935	1080641022	/nfs/dbraw/zinc/64/10/22/1080641022.db2.gz	PHVPDRBKKIXAAP-UHFFFAOYSA-N	2	0	415.881	2.791	20	5		HFBDRP
[NH3+]C1CC[NH+](CCc2cn(-c3ncnc(Cl)c3[N+](=O)[O-])c3ccccc23)CC1	ZINC001170523009	1080567180	/nfs/dbraw/zinc/56/71/80/1080567180.db2.gz	XAEAVBNQUUXIHD-UHFFFAOYSA-N	2	0	400.870	2.948	20	5		HFBDRP
C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc4c(cc3[N+](=O)[O-])C[NH2+]C4)cc2)CC1	ZINC001170492714	1079359964	/nfs/dbraw/zinc/35/99/64/1079359964.db2.gz	BVKPLNULEMTRDK-QQFBHYJXSA-N	2	0	409.490	2.570	20	5		HFBDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	ZINC000790615715	1078077051	/nfs/dbraw/zinc/07/70/51/1078077051.db2.gz	RWVLYPJFBMQQIA-HNNXBMFYSA-N	2	0	414.909	2.804	20	5		HFBDRP
COc1nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc(C)c1[N+](=O)[O-]	ZINC001170523669	1080593094	/nfs/dbraw/zinc/59/30/94/1080593094.db2.gz	ATCKRRBQLYFQOI-UHFFFAOYSA-N	2	0	410.478	2.611	20	5		HFBDRP
COc1ccc(C[C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC001170298160	1077931151	/nfs/dbraw/zinc/93/11/51/1077931151.db2.gz	HACKKDWMTXEFKZ-LJQANCHMSA-N	2	0	412.534	2.942	20	5		HFBDRP
COc1nc(C)nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1[N+](=O)[O-]	ZINC001170524299	1080607967	/nfs/dbraw/zinc/60/79/67/1080607967.db2.gz	KLTARPIAYQWONR-UHFFFAOYSA-N	2	0	410.478	2.611	20	5		HFBDRP
C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788646927	1077224396	/nfs/dbraw/zinc/22/43/96/1077224396.db2.gz	TXAQUBOITJWLSR-MRXNPFEDSA-N	2	0	411.506	2.853	20	5		HFBDRP
[NH3+]C1CC[NH+](CCc2cn(-c3ncnc4[nH]cc([N+](=O)[O-])c43)c3ccccc23)CC1	ZINC001170526121	1080678228	/nfs/dbraw/zinc/67/82/28/1080678228.db2.gz	PVNXEHVHJZNEPD-UHFFFAOYSA-N	2	0	405.462	2.776	20	5		HFBDRP
COc1ccc(C[C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC001170298159	1077931094	/nfs/dbraw/zinc/93/10/94/1077931094.db2.gz	HACKKDWMTXEFKZ-IBGZPJMESA-N	2	0	412.534	2.942	20	5		HFBDRP
CC[N+](C)(C)Cc1ccccc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21	ZINC001170075192	1076868536	/nfs/dbraw/zinc/86/85/36/1076868536.db2.gz	VYDHFRUSGOIWAH-UHFFFAOYSA-N	2	0	413.567	2.985	20	5		HFBDRP
COC(=O)c1cc([N+](=O)[O-])cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1	ZINC001170523791	1080596966	/nfs/dbraw/zinc/59/69/66/1080596966.db2.gz	CXJXGADWRWAVCR-UHFFFAOYSA-N	2	0	423.473	2.686	20	5		HFBDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	ZINC000790615718	1078077337	/nfs/dbraw/zinc/07/73/37/1078077337.db2.gz	RWVLYPJFBMQQIA-OAHLLOKOSA-N	2	0	414.909	2.804	20	5		HFBDRP
COc1ccc(C[C@H](C)[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c([N+](=O)[O-])c1	ZINC001170343427	1077953888	/nfs/dbraw/zinc/95/38/88/1077953888.db2.gz	ZIHUHLXGLQPKRO-KRWDZBQOSA-N	2	0	413.522	2.885	20	5		HFBDRP
COc1ccc(C[C@H](C)[NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1	ZINC001170319676	1077941894	/nfs/dbraw/zinc/94/18/94/1077941894.db2.gz	YPRLAZCIFAFCSX-KRWDZBQOSA-N	2	0	418.538	2.601	20	5		HFBDRP
COc1ccc(C[C@@H](C)[NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1	ZINC001170319686	1077941910	/nfs/dbraw/zinc/94/19/10/1077941910.db2.gz	YPRLAZCIFAFCSX-QGZVFWFLSA-N	2	0	418.538	2.601	20	5		HFBDRP