smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1	ZINC000408566815	534243748	/nfs/dbraw/zinc/24/37/48/534243748.db2.gz	OVYFUOBPDYMBHC-ZUVQBVFVSA-N	1	2	381.388	2.041	40	5		GEBBLO
COc1ccc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1OC	ZINC000408563961	231064739	/nfs/dbraw/zinc/06/47/39/231064739.db2.gz	BSXLYDDEFMPTCF-SDNIMSTDSA-N	1	2	383.404	2.272	40	5		GEBBLO
COc1ccc([C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC	ZINC000408563961	231064742	/nfs/dbraw/zinc/06/47/42/231064742.db2.gz	BSXLYDDEFMPTCF-SDNIMSTDSA-N	1	2	383.404	2.272	40	5		GEBBLO
C[C@@]1(C[NH+]2CCOCC2)COc2c(cc(Br)cc2[N+](=O)[O-])C1=O	ZINC000019202387	531576834	/nfs/dbraw/zinc/57/68/34/531576834.db2.gz	LJSFBXRLUVMUPV-OAHLLOKOSA-N	1	2	385.214	2.271	40	5		GEBBLO
Nc1nc[nH+]c(N)c1NC(=O)c1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000001745652	570413010	/nfs/dbraw/zinc/41/30/10/570413010.db2.gz	AGHYFUIJEDBIQF-UHFFFAOYSA-N	1	2	378.348	2.033	40	5		GEBBLO
COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1	ZINC000408566812	534243561	/nfs/dbraw/zinc/24/35/61/534243561.db2.gz	OVYFUOBPDYMBHC-IREPMIDKSA-N	1	2	381.388	2.041	40	5		GEBBLO
O=[N+]([O-])c1ccc(CNc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cc1	ZINC000329031736	206242345	/nfs/dbraw/zinc/24/23/45/206242345.db2.gz	QKRKSKIIYKAPKH-UHFFFAOYSA-N	1	2	379.420	2.302	40	5		GEBBLO
COc1ccc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1OC	ZINC000408563960	533209673	/nfs/dbraw/zinc/20/96/73/533209673.db2.gz	BSXLYDDEFMPTCF-GFDJHTQQSA-N	1	2	383.404	2.272	40	5		GEBBLO
COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1OC	ZINC000408563960	533209680	/nfs/dbraw/zinc/20/96/80/533209680.db2.gz	BSXLYDDEFMPTCF-GFDJHTQQSA-N	1	2	383.404	2.272	40	5		GEBBLO
COc1ccc(OC)c([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)c1	ZINC000408577525	570383984	/nfs/dbraw/zinc/38/39/84/570383984.db2.gz	ZRNRMLDGTGWAQV-GFDJHTQQSA-N	1	2	383.404	2.272	40	5		GEBBLO
C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000113941775	136192127	/nfs/dbraw/zinc/19/21/27/136192127.db2.gz	BKOVKRRJZHVWNO-UHFFFAOYSA-N	1	2	376.438	2.147	40	5		GEBBLO
O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)cc1O	ZINC000306131459	209102712	/nfs/dbraw/zinc/10/27/12/209102712.db2.gz	KFERBRWNSQGGAY-FQEVSTJZSA-N	1	2	397.435	2.339	40	5		GEBBLO
O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)cc1O	ZINC000306131459	209102714	/nfs/dbraw/zinc/10/27/14/209102714.db2.gz	KFERBRWNSQGGAY-FQEVSTJZSA-N	1	2	397.435	2.339	40	5		GEBBLO
COc1ccc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1OC	ZINC000408563952	533208930	/nfs/dbraw/zinc/20/89/30/533208930.db2.gz	BSXLYDDEFMPTCF-DZJWMVGBSA-N	1	2	383.404	2.272	40	5		GEBBLO
COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1OC	ZINC000408563952	533208945	/nfs/dbraw/zinc/20/89/45/533208945.db2.gz	BSXLYDDEFMPTCF-DZJWMVGBSA-N	1	2	383.404	2.272	40	5		GEBBLO
COc1ccc(OC)c([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)c1	ZINC000408577520	570384367	/nfs/dbraw/zinc/38/43/67/570384367.db2.gz	ZRNRMLDGTGWAQV-DZJWMVGBSA-N	1	2	383.404	2.272	40	5		GEBBLO
C[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)[nH+]1	ZINC000329016905	209156939	/nfs/dbraw/zinc/15/69/39/209156939.db2.gz	NKCTWYTUCHOSNW-AWEZNQCLSA-N	1	2	379.420	2.300	40	5		GEBBLO
C[C@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)[nH+]1	ZINC000329044998	209156909	/nfs/dbraw/zinc/15/69/09/209156909.db2.gz	SZWZUFGUPUFMGI-CQSZACIVSA-N	1	2	379.420	2.300	40	5		GEBBLO
COc1ccc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1OC	ZINC000408563963	231064396	/nfs/dbraw/zinc/06/43/96/231064396.db2.gz	BSXLYDDEFMPTCF-ZSOARMDNSA-N	1	2	383.404	2.272	40	5		GEBBLO
COc1ccc([C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC	ZINC000408563963	231064399	/nfs/dbraw/zinc/06/43/99/231064399.db2.gz	BSXLYDDEFMPTCF-ZSOARMDNSA-N	1	2	383.404	2.272	40	5		GEBBLO
C[C@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)[nH+]1	ZINC000329016907	209158294	/nfs/dbraw/zinc/15/82/94/209158294.db2.gz	NKCTWYTUCHOSNW-CQSZACIVSA-N	1	2	379.420	2.300	40	5		GEBBLO
COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1	ZINC000408566813	534243710	/nfs/dbraw/zinc/24/37/10/534243710.db2.gz	OVYFUOBPDYMBHC-LKASSIKMSA-N	1	2	381.388	2.041	40	5		GEBBLO
C[C@@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)[nH+]1	ZINC000329044996	209158192	/nfs/dbraw/zinc/15/81/92/209158192.db2.gz	SZWZUFGUPUFMGI-AWEZNQCLSA-N	1	2	379.420	2.300	40	5		GEBBLO
COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1	ZINC000408566814	534243751	/nfs/dbraw/zinc/24/37/51/534243751.db2.gz	OVYFUOBPDYMBHC-PAYMVLDXSA-N	1	2	381.388	2.041	40	5		GEBBLO
O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(CO)o3)n2)c1	ZINC000015674845	560095830	/nfs/dbraw/zinc/09/58/30/560095830.db2.gz	CVDPCBBUQFSNLL-CJNGLKHVSA-N	1	2	386.364	2.038	40	5	biogenic,in-vitro	GEBBLO
O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(CO)o3)n2)c1	ZINC000015674845	560095831	/nfs/dbraw/zinc/09/58/31/560095831.db2.gz	CVDPCBBUQFSNLL-CJNGLKHVSA-N	1	2	386.364	2.038	40	5	biogenic,in-vitro	GEBBLO
COc1ccc(OC)c([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)c1	ZINC000408577534	570384798	/nfs/dbraw/zinc/38/47/98/570384798.db2.gz	ZRNRMLDGTGWAQV-ZSOARMDNSA-N	1	2	383.404	2.272	40	5		GEBBLO
COc1ccc(OC)c([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)c1	ZINC000408577530	570383786	/nfs/dbraw/zinc/38/37/86/570383786.db2.gz	ZRNRMLDGTGWAQV-SDNIMSTDSA-N	1	2	383.404	2.272	40	5		GEBBLO
O=[N+]([O-])c1cccc(CNc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)c1	ZINC000328984137	212091465	/nfs/dbraw/zinc/09/14/65/212091465.db2.gz	HLVUUEDATMTKON-UHFFFAOYSA-N	1	2	379.420	2.302	40	5		GEBBLO
C[C@]1(C[NH+]2CCOCC2)COc2c(cc(Br)cc2[N+](=O)[O-])C1=O	ZINC000019202390	221398817	/nfs/dbraw/zinc/39/88/17/221398817.db2.gz	LJSFBXRLUVMUPV-HNNXBMFYSA-N	1	2	385.214	2.271	40	5		GEBBLO