smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc2o1	ZINC000024927700	182395250	/nfs/dbraw/zinc/39/52/50/182395250.db2.gz	KGNAMUDWEXJRDG-UHFFFAOYSA-N	0	2	313.269	3.002	50	5		DGBALN
Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C	ZINC000000168349	431136887	/nfs/dbraw/zinc/13/68/87/431136887.db2.gz	UHLFOPQZCHVMLR-UHFFFAOYSA-N	0	2	306.343	3.012	50	5		DGBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1	ZINC000000333733	431168565	/nfs/dbraw/zinc/16/85/65/431168565.db2.gz	MNHIVKRGHVGPIJ-UHFFFAOYSA-N	0	2	312.734	3.049	50	5		DGBALN
CSc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000612363	431205625	/nfs/dbraw/zinc/20/56/25/431205625.db2.gz	DCUUKXRFFWHQBV-UHFFFAOYSA-N	0	2	324.383	3.118	50	5		DGBALN
O=C1Nc2ccccc2/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1O	ZINC000005446577	431312475	/nfs/dbraw/zinc/31/24/75/431312475.db2.gz	PUTSWYWHAIOCEW-IZZDOVSWSA-N	0	2	316.700	3.447	50	5		DGBALN
CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1	ZINC000089531747	431869475	/nfs/dbraw/zinc/86/94/75/431869475.db2.gz	VJQDYLNTBLNIQI-UHFFFAOYSA-N	0	2	318.304	3.356	50	5		DGBALN
C[C@@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	ZINC000097080084	431959658	/nfs/dbraw/zinc/95/96/58/431959658.db2.gz	GFJHBZVNWHAZRB-JTQLQIEISA-N	0	2	316.313	3.259	50	5		DGBALN
O=C(Cc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000035306301	431828436	/nfs/dbraw/zinc/82/84/36/431828436.db2.gz	VRTHYTIBPIEHSF-UHFFFAOYSA-N	0	2	306.705	3.135	50	5		DGBALN
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1	ZINC000034872632	431821389	/nfs/dbraw/zinc/82/13/89/431821389.db2.gz	PGKPREMYGPZIKE-CQSZACIVSA-N	0	2	320.370	3.489	50	5		DGBALN
Cc1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1	ZINC000008777121	431415290	/nfs/dbraw/zinc/41/52/90/431415290.db2.gz	CRHCYPDUPGZZML-UHFFFAOYSA-N	0	2	324.333	3.152	50	5		DGBALN
O=C1NC(=S)SC1=Cc1cc(Cl)cc([N+](=O)[O-])c1O	ZINC000022782314	431635447	/nfs/dbraw/zinc/63/54/47/431635447.db2.gz	ARPSXTYRZVEFHB-UQCOIBPSSA-N	0	2	316.747	3.283	50	5		DGBALN
C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000089540994	431870009	/nfs/dbraw/zinc/87/00/09/431870009.db2.gz	DYFYQZFFFGDEQR-MDZLAQPJSA-N	0	2	322.361	3.223	50	5		DGBALN
CO[C@H](C)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1	ZINC000164489523	432048799	/nfs/dbraw/zinc/04/87/99/432048799.db2.gz	ROZQXUYIKTVLIZ-SNVBAGLBSA-N	0	2	316.313	3.260	50	5		DGBALN
Cn1c2ccccc2c2oc(=O)c(-c3ccccc3)c(O)c2c1=O	ZINC000000343898	431167331	/nfs/dbraw/zinc/16/73/31/431167331.db2.gz	YJPAUNIGQCRWCM-UHFFFAOYSA-N	0	2	319.316	3.018	50	5		DGBALN
C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000225451358	432691570	/nfs/dbraw/zinc/69/15/70/432691570.db2.gz	DYFYQZFFFGDEQR-WZRBSPASSA-N	0	2	322.361	3.223	50	5		DGBALN
CSc1nc(=O)c2snc(-c3ccc([N+](=O)[O-])cc3)c2[nH]1	ZINC000575362718	435031738	/nfs/dbraw/zinc/03/17/38/435031738.db2.gz	XRHLYHREBFFBDW-UHFFFAOYSA-N	0	2	320.355	3.089	50	5		DGBALN
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000081805111	192326566	/nfs/dbraw/zinc/32/65/66/192326566.db2.gz	WTBIFXKGQTYHBM-JTQLQIEISA-N	0	2	320.370	3.065	50	5		DGBALN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)c(F)c1	ZINC000035310603	431829918	/nfs/dbraw/zinc/82/99/18/431829918.db2.gz	LUHVLTKMDCCCOP-QMMMGPOBSA-N	0	2	322.267	3.070	50	5		DGBALN
Cc1ccc(/C(O)=C/c2nc3ccc([N+](=O)[O-])cc3oc2=O)cc1	ZINC000102501884	301479029	/nfs/dbraw/zinc/47/90/29/301479029.db2.gz	JZMRDQWHRRJYLG-DHDCSXOGSA-N	0	2	324.292	3.461	50	5		DGBALN
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccn2)c2ncccc12	ZINC000004854958	304801176	/nfs/dbraw/zinc/80/11/76/304801176.db2.gz	RFTXLRHEOJKBEX-UHFFFAOYSA-N	0	2	311.257	3.190	50	5		DGBALN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1	ZINC000007053252	331500729	/nfs/dbraw/zinc/50/07/29/331500729.db2.gz	BJDRQXXXSSUHTB-UHFFFAOYSA-N	0	2	318.763	3.111	50	5		DGBALN
Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000003131567	431284560	/nfs/dbraw/zinc/28/45/60/431284560.db2.gz	YKPIPLPXUUKVML-UHFFFAOYSA-N	0	2	306.343	3.012	50	5		DGBALN
C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000155942511	197075837	/nfs/dbraw/zinc/07/58/37/197075837.db2.gz	GRIKXMGAWMARGW-NTZNESFSSA-N	0	2	322.361	3.223	50	5		DGBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC=C(c2ccccc2)CC1	ZINC000035286739	431827318	/nfs/dbraw/zinc/82/73/18/431827318.db2.gz	DLEABJRBLKJSHM-UHFFFAOYSA-N	0	2	324.336	3.230	50	5		DGBALN
COc1ccc(NC(=O)c2cc(Cl)ccc2O)c([N+](=O)[O-])c1	ZINC000005358327	181234574	/nfs/dbraw/zinc/23/45/74/181234574.db2.gz	MZIYEUISFBDBPH-UHFFFAOYSA-N	0	2	322.704	3.215	50	5		DGBALN
O=C([O-])CSc1nc2ccccc2c2[nH+]c3ccccc3n21	ZINC000006652970	181366099	/nfs/dbraw/zinc/36/60/99/181366099.db2.gz	NGJQWZROHPORBR-UHFFFAOYSA-N	0	2	309.350	3.212	50	5		DGBALN
O=[N+]([O-])c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1	ZINC000005604165	431311501	/nfs/dbraw/zinc/31/15/01/431311501.db2.gz	ZDWKHXFZLZSYJB-UHFFFAOYSA-N	0	2	312.734	3.049	50	5		DGBALN
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2)cc1	ZINC000100610385	431982321	/nfs/dbraw/zinc/98/23/21/431982321.db2.gz	BJGHGOIGNNWKOR-UHFFFAOYSA-N	0	2	311.297	3.162	50	5	aggregator	DGBALN
CC(C)(NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(F)c1	ZINC000253418323	432396072	/nfs/dbraw/zinc/39/60/72/432396072.db2.gz	OFGFTBNVGGIRKQ-UHFFFAOYSA-N	0	2	318.304	3.105	50	5		DGBALN
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C)cc1	ZINC000017841800	182085946	/nfs/dbraw/zinc/08/59/46/182085946.db2.gz	HIGKRPPESXEVKW-CQSZACIVSA-N	0	2	314.341	3.490	50	5		DGBALN
CCCCN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000015010959	431600877	/nfs/dbraw/zinc/60/08/77/431600877.db2.gz	CCLCOYJNPCGMSH-WQLSENKSSA-N	0	2	322.342	3.137	50	5		DGBALN
Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)cc1C	ZINC000032935325	431802286	/nfs/dbraw/zinc/80/22/86/431802286.db2.gz	ZGQZXSKQHIPRQK-UHFFFAOYSA-N	0	2	324.333	3.152	50	5		DGBALN
C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000081805114	192326786	/nfs/dbraw/zinc/32/67/86/192326786.db2.gz	WTBIFXKGQTYHBM-SNVBAGLBSA-N	0	2	320.370	3.065	50	5		DGBALN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCC(F)(F)CC1	ZINC000166110215	432058373	/nfs/dbraw/zinc/05/83/73/432058373.db2.gz	KNWJXOFEPZHFIH-UHFFFAOYSA-N	0	2	300.261	3.064	50	5		DGBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(Cl)c1	ZINC000000431989	431180100	/nfs/dbraw/zinc/18/01/00/431180100.db2.gz	FHDKXSNXCIAHQB-UHFFFAOYSA-N	0	2	312.734	3.049	50	5		DGBALN
CSc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000002813008	431273041	/nfs/dbraw/zinc/27/30/41/431273041.db2.gz	QGCIRYUQRUBXNU-UHFFFAOYSA-N	0	2	324.383	3.118	50	5		DGBALN
C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000225460668	432691802	/nfs/dbraw/zinc/69/18/02/432691802.db2.gz	GRIKXMGAWMARGW-WZRBSPASSA-N	0	2	322.361	3.223	50	5		DGBALN
C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000089540997	431869716	/nfs/dbraw/zinc/86/97/16/431869716.db2.gz	DYFYQZFFFGDEQR-NTZNESFSSA-N	0	2	322.361	3.223	50	5		DGBALN
CCCn1cc(OC(C)=O)c2c3nc4ccccc4n3c(C)nc21	ZINC000005477879	181248207	/nfs/dbraw/zinc/24/82/07/181248207.db2.gz	DXQBPLMUUNLWQL-UHFFFAOYSA-N	0	2	322.368	3.481	50	5		DGBALN
Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1C	ZINC000040114726	183036984	/nfs/dbraw/zinc/03/69/84/183036984.db2.gz	OSHGPOJUTLYKSU-DGCLKSJQSA-N	0	2	317.370	3.031	50	5		DGBALN
Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000004297018	431296937	/nfs/dbraw/zinc/29/69/37/431296937.db2.gz	PNIZZXSAQQVBRY-UHFFFAOYSA-N	0	2	306.343	3.012	50	5		DGBALN
O=C(c1c[nH]c2nc(=O)c3ccccc3c-2c1)c1ccccc1O	ZINC000012893094	431534238	/nfs/dbraw/zinc/53/42/38/431534238.db2.gz	YDOFNVUFGAUTIU-UHFFFAOYSA-N	0	2	316.316	3.013	50	5		DGBALN
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2F)c([N+](=O)[O-])c1	ZINC000104230469	432015893	/nfs/dbraw/zinc/01/58/93/432015893.db2.gz	ICPWCBARTQWDKC-UHFFFAOYSA-N	0	2	322.208	3.294	50	5		DGBALN
Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C	ZINC000003138958	431284155	/nfs/dbraw/zinc/28/41/55/431284155.db2.gz	KNUICVKDMQGVFJ-UHFFFAOYSA-N	0	2	306.343	3.012	50	5		DGBALN
O=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000005364133	431307993	/nfs/dbraw/zinc/30/79/93/431307993.db2.gz	BCYFUFLCKVRBLS-UHFFFAOYSA-N	0	2	312.734	3.049	50	5		DGBALN
Cc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000005260140	181223750	/nfs/dbraw/zinc/22/37/50/181223750.db2.gz	XYVCGYRCTPSLBW-UHFFFAOYSA-N	0	2	306.343	3.012	50	5		DGBALN
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C)cc1	ZINC000017841801	182086231	/nfs/dbraw/zinc/08/62/31/182086231.db2.gz	HIGKRPPESXEVKW-AWEZNQCLSA-N	0	2	314.341	3.490	50	5		DGBALN
CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1	ZINC000035334127	431830457	/nfs/dbraw/zinc/83/04/57/431830457.db2.gz	YVLSYEYBLCJZOR-UHFFFAOYSA-N	0	2	304.327	3.275	50	5		DGBALN
C[C@@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000225460733	432690972	/nfs/dbraw/zinc/69/09/72/432690972.db2.gz	GRIKXMGAWMARGW-NQBHXWOUSA-N	0	2	322.361	3.223	50	5		DGBALN
Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2[N+](=O)[O-])cc1	ZINC000196530965	546256482	/nfs/dbraw/zinc/25/64/82/546256482.db2.gz	UXGMMQXTYNJRBG-UHFFFAOYSA-N	0	2	306.343	3.012	50	5		DGBALN
Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])n2)cc1C	ZINC000040114723	183037400	/nfs/dbraw/zinc/03/74/00/183037400.db2.gz	OSHGPOJUTLYKSU-YPMHNXCESA-N	0	2	317.370	3.031	50	5		DGBALN
O=C(Nc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000035307610	431828153	/nfs/dbraw/zinc/82/81/53/431828153.db2.gz	WXPDXEPXZUHXIN-UHFFFAOYSA-N	0	2	324.239	3.154	50	5		DGBALN
O=C(Nc1nc(-c2cccs2)ns1)c1ccc([N+](=O)[O-])o1	ZINC000095997317	431933660	/nfs/dbraw/zinc/93/36/60/431933660.db2.gz	BULKLDUVLAEGRH-UHFFFAOYSA-N	0	2	322.327	3.020	50	5		DGBALN
CO[C@@H](C)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1	ZINC000164489384	432046977	/nfs/dbraw/zinc/04/69/77/432046977.db2.gz	ROZQXUYIKTVLIZ-JTQLQIEISA-N	0	2	316.313	3.260	50	5		DGBALN
O=C(Nc1c2nsnc2ccc1Cl)c1ccc([N+](=O)[O-])o1	ZINC000002338906	431247384	/nfs/dbraw/zinc/24/73/84/431247384.db2.gz	YNSLXOVREVUGBZ-UHFFFAOYSA-N	0	2	324.705	3.098	50	5		DGBALN
Cc1cc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000000168401	301190156	/nfs/dbraw/zinc/19/01/56/301190156.db2.gz	MMCBTAQFEJVYTK-UHFFFAOYSA-N	0	2	320.370	3.321	50	5		DGBALN
O=[N+]([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000095676348	185383050	/nfs/dbraw/zinc/38/30/50/185383050.db2.gz	MQZAHSOZWFOSGD-UHFFFAOYSA-N	0	2	304.218	3.155	50	5		DGBALN
Cc1ccc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000000271625	431156567	/nfs/dbraw/zinc/15/65/67/431156567.db2.gz	PDFQBOINVLVHBJ-UHFFFAOYSA-N	0	2	306.343	3.012	50	5		DGBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc2c1CCCC2	ZINC000035347537	431831447	/nfs/dbraw/zinc/83/14/47/431831447.db2.gz	QVDRXZKLXZHKAY-UHFFFAOYSA-N	0	2	318.354	3.493	50	5		DGBALN
Cc1ccc([N+](=O)[O-])c(NS(=O)(=O)c2ccc(F)c(C)c2)c1	ZINC000095995733	431933640	/nfs/dbraw/zinc/93/36/40/431933640.db2.gz	ITLASTQMMIPTFQ-UHFFFAOYSA-N	0	2	324.333	3.152	50	5		DGBALN
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)C1C	ZINC000100686808	431982695	/nfs/dbraw/zinc/98/26/95/431982695.db2.gz	LEJAQCBKHAZCAO-UHFFFAOYSA-N	0	2	316.342	3.226	50	5		DGBALN
Cc1[nH]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1C	ZINC000100686808	431982697	/nfs/dbraw/zinc/98/26/97/431982697.db2.gz	LEJAQCBKHAZCAO-UHFFFAOYSA-N	0	2	316.342	3.226	50	5		DGBALN
O=C(Nc1ccccc1OC(F)F)c1cccc(O)c1[N+](=O)[O-]	ZINC000253417845	432396098	/nfs/dbraw/zinc/39/60/98/432396098.db2.gz	QDLFRZMOLRYYFL-UHFFFAOYSA-N	0	2	324.239	3.154	50	5		DGBALN
Cc1cc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1C	ZINC000005041852	181195577	/nfs/dbraw/zinc/19/55/77/181195577.db2.gz	IDNGETHVPVXHFL-UHFFFAOYSA-N	0	2	306.343	3.012	50	5		DGBALN
Cc1c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-]	ZINC000080959127	431780506	/nfs/dbraw/zinc/78/05/06/431780506.db2.gz	JVHCBOAMCFPFCP-CQSZACIVSA-N	0	2	300.362	3.006	50	5		DGBALN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)c(F)c1	ZINC000035310604	431830022	/nfs/dbraw/zinc/83/00/22/431830022.db2.gz	LUHVLTKMDCCCOP-MRVPVSSYSA-N	0	2	322.267	3.070	50	5		DGBALN
C[C@@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000225451439	432691229	/nfs/dbraw/zinc/69/12/29/432691229.db2.gz	DYFYQZFFFGDEQR-NQBHXWOUSA-N	0	2	322.361	3.223	50	5		DGBALN
Cc1cccc(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000005260194	431308260	/nfs/dbraw/zinc/30/82/60/431308260.db2.gz	JMLNLSOYAVHNQQ-UHFFFAOYSA-N	0	2	306.343	3.012	50	5		DGBALN
Cc1c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-]	ZINC000080959126	431780687	/nfs/dbraw/zinc/78/06/87/431780687.db2.gz	JVHCBOAMCFPFCP-AWEZNQCLSA-N	0	2	300.362	3.006	50	5		DGBALN
Cc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000017964333	182089033	/nfs/dbraw/zinc/08/90/33/182089033.db2.gz	KWJWLJSNVBSWID-NSHDSACASA-N	0	2	300.314	3.100	50	5		DGBALN
C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000155942272	197075552	/nfs/dbraw/zinc/07/55/52/197075552.db2.gz	GRIKXMGAWMARGW-MDZLAQPJSA-N	0	2	322.361	3.223	50	5		DGBALN
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1Cc1ccccc1	ZINC000105413276	400321685	/nfs/dbraw/zinc/32/16/85/400321685.db2.gz	BZSAEJZNGHWAAN-INIZCTEOSA-N	0	2	309.325	3.176	50	5		DGBALN
O=[N+]([O-])c1cc([N+](=O)[O-])c(C2=C(O)c3ccccc3CC2)s1	ZINC000005379339	431307789	/nfs/dbraw/zinc/30/77/89/431307789.db2.gz	PTODVXRTYIZPEL-SNVBAGLBSA-N	0	2	318.310	3.477	50	5		DGBALN
Cc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000017964331	182089036	/nfs/dbraw/zinc/08/90/36/182089036.db2.gz	KWJWLJSNVBSWID-LLVKDONJSA-N	0	2	300.314	3.100	50	5		DGBALN
O=[N+]([O-])c1cc([N+](=O)[O-])c(C2=C(O)c3ccccc3CC2)s1	ZINC000005379325	431307480	/nfs/dbraw/zinc/30/74/80/431307480.db2.gz	PTODVXRTYIZPEL-JTQLQIEISA-N	0	2	318.310	3.477	50	5		DGBALN
Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])n2)cc1C	ZINC000040114724	431857343	/nfs/dbraw/zinc/85/73/43/431857343.db2.gz	OSHGPOJUTLYKSU-AAEUAGOBSA-N	0	2	317.370	3.031	50	5		DGBALN
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1	ZINC000004130693	181077124	/nfs/dbraw/zinc/07/71/24/181077124.db2.gz	QCBRGFUTPHCMRB-UHFFFAOYSA-N	0	2	320.370	3.321	50	5		DGBALN
O=C([O-])/C=C/c1[nH+]c(-c2cccc([N+](=O)[O-])c2)n2ccccc12	ZINC000000065114	431117993	/nfs/dbraw/zinc/11/79/93/431117993.db2.gz	IIGIQBWHQQNSHJ-BQYQJAHWSA-N	0	2	309.281	3.007	50	5		DGBALN
Cc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000035900081	431833889	/nfs/dbraw/zinc/83/38/89/431833889.db2.gz	YGEAMKXNJBSFEW-UHFFFAOYSA-N	0	2	318.354	3.340	50	5		DGBALN
Cc1cc(C)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000000272744	431160365	/nfs/dbraw/zinc/16/03/65/431160365.db2.gz	BDSRIFVUDPZINF-UHFFFAOYSA-N	0	2	306.343	3.012	50	5		DGBALN
Cc1cccc(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1C	ZINC000008778971	431415209	/nfs/dbraw/zinc/41/52/09/431415209.db2.gz	QLWXBUNNRMKZDE-UHFFFAOYSA-N	0	2	324.333	3.152	50	5		DGBALN
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1	ZINC000034872630	431822119	/nfs/dbraw/zinc/82/21/19/431822119.db2.gz	PGKPREMYGPZIKE-AWEZNQCLSA-N	0	2	320.370	3.489	50	5		DGBALN
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1Cc1ccccc1	ZINC000004948502	181178230	/nfs/dbraw/zinc/17/82/30/181178230.db2.gz	BZSAEJZNGHWAAN-MRXNPFEDSA-N	0	2	309.325	3.176	50	5		DGBALN
C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	ZINC000097080085	431959207	/nfs/dbraw/zinc/95/92/07/431959207.db2.gz	GFJHBZVNWHAZRB-SNVBAGLBSA-N	0	2	316.313	3.259	50	5		DGBALN
CCc1cccc(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000003833311	181047562	/nfs/dbraw/zinc/04/75/62/181047562.db2.gz	KPIXZZAHGNIDQB-UHFFFAOYSA-N	0	2	320.370	3.266	50	5		DGBALN
Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000008778966	301976597	/nfs/dbraw/zinc/97/65/97/301976597.db2.gz	RIFTWZJVRFGNDB-UHFFFAOYSA-N	0	2	324.333	3.152	50	5		DGBALN
CC(C)(C)c1cc([N+](=O)[O-])c(O)c(-n2nc3ccccc3n2)c1	ZINC000019891515	182160639	/nfs/dbraw/zinc/16/06/39/182160639.db2.gz	CBFGLJXBEHBLON-UHFFFAOYSA-N	0	2	312.329	3.332	50	5		DGBALN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1	ZINC000000241304	431150765	/nfs/dbraw/zinc/15/07/65/431150765.db2.gz	SKXKFNWRPFEUBZ-UHFFFAOYSA-N	0	2	312.734	3.049	50	5		DGBALN
Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])n2)cc1C	ZINC000040114728	431857168	/nfs/dbraw/zinc/85/71/68/431857168.db2.gz	OSHGPOJUTLYKSU-WCQYABFASA-N	0	2	317.370	3.031	50	5		DGBALN