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)C(C)(C)ON=C([O-])Nc1ccc([N+](=O)[O-])cc1	ZINC000004164000	377072287	/nfs/dbraw/zinc/07/22/87/377072287.db2.gz	PHZGGGDVACMPGH-UHFFFAOYSA-N	-1	3	297.267	1.600	50	5		CDBAHM
COC(=O)C(C)(C)O[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004164000	377072294	/nfs/dbraw/zinc/07/22/94/377072294.db2.gz	PHZGGGDVACMPGH-UHFFFAOYSA-N	-1	3	297.267	1.600	50	5		CDBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cnsn1	ZINC000001790879	533228422	/nfs/dbraw/zinc/22/84/22/533228422.db2.gz	YMDWKEZYZGACRB-UHFFFAOYSA-N	-1	3	280.265	1.707	50	5		CDBAHM
COc1[n-]nc(C(=O)Nc2ccc(F)c(F)c2)c1[N+](=O)[O-]	ZINC000006786444	170243618	/nfs/dbraw/zinc/24/36/18/170243618.db2.gz	ROAFKWBZVLZVRF-UHFFFAOYSA-N	-1	3	298.205	1.857	50	5		CDBAHM
COc1n[n-]c(C(=O)Nc2ccc(F)c(F)c2)c1[N+](=O)[O-]	ZINC000006786444	170243619	/nfs/dbraw/zinc/24/36/19/170243619.db2.gz	ROAFKWBZVLZVRF-UHFFFAOYSA-N	-1	3	298.205	1.857	50	5		CDBAHM
CCCCOC(=O)c1c(C)c([N+](=O)[O-])c(C)[n-]c1=O	ZINC000008856129	170357818	/nfs/dbraw/zinc/35/78/18/170357818.db2.gz	NSZBCBDQKDUTAG-UHFFFAOYSA-N	-1	3	268.269	1.857	50	5		CDBAHM
O=C([N-]c1cnns1)c1ccc([N+](=O)[O-])s1	ZINC000189564499	358026928	/nfs/dbraw/zinc/02/69/28/358026928.db2.gz	MKJDECLONDHXRU-UHFFFAOYSA-N	-1	3	256.268	1.760	50	5		CDBAHM
CCOC(=O)C(=C(C)[O-])c1ccc(F)cc1[N+](=O)[O-]	ZINC000016697935	366882041	/nfs/dbraw/zinc/88/20/41/366882041.db2.gz	WHFHDPRMSQTXTM-LLVKDONJSA-N	-1	3	269.228	1.970	50	5		CDBAHM
Cc1cnc(N(C)C[C@@H](C)c2nnn[n-]2)c([N+](=O)[O-])c1	ZINC000129840782	369717318	/nfs/dbraw/zinc/71/73/18/369717318.db2.gz	AKLLFRSMRAUEGU-MRVPVSSYSA-N	-1	3	277.288	1.051	50	5		CDBAHM
Cc1cnc(N(C)C[C@@H](C)c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000129840782	369717322	/nfs/dbraw/zinc/71/73/22/369717322.db2.gz	AKLLFRSMRAUEGU-MRVPVSSYSA-N	-1	3	277.288	1.051	50	5		CDBAHM
CCc1nonc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016753501	356446635	/nfs/dbraw/zinc/44/66/35/356446635.db2.gz	RDKHSIPUEAEZDD-UHFFFAOYSA-N	-1	3	262.225	1.793	50	5		CDBAHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CC1	ZINC000024434236	366463040	/nfs/dbraw/zinc/46/30/40/366463040.db2.gz	YUCMQHNTJLMMMD-UHFFFAOYSA-N	-1	3	286.309	1.292	50	5		CDBAHM
CC(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000187093	355894353	/nfs/dbraw/zinc/89/43/53/355894353.db2.gz	OZVQKJSICMYVSR-UHFFFAOYSA-N	-1	3	258.299	1.672	50	5		CDBAHM
Cc1c(NC([O-])=NOC(C)(C)CO)cccc1[N+](=O)[O-]	ZINC000297458462	200197263	/nfs/dbraw/zinc/19/72/63/200197263.db2.gz	MUJTXTHRMLVDJH-UHFFFAOYSA-N	-1	3	283.284	1.727	50	5		CDBAHM
Cc1c(NC(=O)[N-]OC(C)(C)CO)cccc1[N+](=O)[O-]	ZINC000297458462	200197264	/nfs/dbraw/zinc/19/72/64/200197264.db2.gz	MUJTXTHRMLVDJH-UHFFFAOYSA-N	-1	3	283.284	1.727	50	5		CDBAHM
CNc1nc(N)c([N+](=O)[O-])c([N-]c2ccccc2F)n1	ZINC000005054432	170061848	/nfs/dbraw/zinc/06/18/48/170061848.db2.gz	NKXCARFTEUWYQF-UHFFFAOYSA-N	-1	3	278.247	1.891	50	5		CDBAHM
O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1n[nH]cc1[N+](=O)[O-]	ZINC000006413906	170199541	/nfs/dbraw/zinc/19/95/41/170199541.db2.gz	LCDHAYLGEVSYML-UHFFFAOYSA-N	-1	3	295.186	1.618	50	5		CDBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccnc1	ZINC000000267056	359413214	/nfs/dbraw/zinc/41/32/14/359413214.db2.gz	HVBLJIUEBIYWIA-UHFFFAOYSA-N	-1	3	293.304	1.468	50	5		CDBAHM
COc1ccc(C(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-]	ZINC000012824384	361581943	/nfs/dbraw/zinc/58/19/43/361581943.db2.gz	DUQYESFONSDFEP-UHFFFAOYSA-N	-1	3	289.247	1.956	50	5		CDBAHM
O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccccc1	ZINC000020031419	374275088	/nfs/dbraw/zinc/27/50/88/374275088.db2.gz	YNTRLEMYDAHCCT-UHFFFAOYSA-N	-1	3	294.292	1.295	50	5		CDBAHM
CC(C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000005380560	170092217	/nfs/dbraw/zinc/09/22/17/170092217.db2.gz	HFYHGGZLDAECSI-UHFFFAOYSA-N	-1	3	258.299	1.529	50	5		CDBAHM
Nc1ccc(C(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-]	ZINC000022263265	171383055	/nfs/dbraw/zinc/38/30/55/171383055.db2.gz	FDBNZIVORBCTAS-UHFFFAOYSA-N	-1	3	274.236	1.530	50	5		CDBAHM
Nc1ncnc([N-]c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	ZINC000004059574	230368083	/nfs/dbraw/zinc/36/80/83/230368083.db2.gz	ONLYWYZZIVRFEM-UHFFFAOYSA-N	-1	3	276.212	1.619	50	5		CDBAHM
O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1C(F)(F)F	ZINC000040566718	280362546	/nfs/dbraw/zinc/36/25/46/280362546.db2.gz	UIXCEXLZCOXUSZ-UHFFFAOYSA-N	-1	3	259.147	1.794	50	5		CDBAHM
O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1C(F)(F)F	ZINC000040566718	280362550	/nfs/dbraw/zinc/36/25/50/280362550.db2.gz	UIXCEXLZCOXUSZ-UHFFFAOYSA-N	-1	3	259.147	1.794	50	5		CDBAHM
CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000037064503	363345087	/nfs/dbraw/zinc/34/50/87/363345087.db2.gz	PRZONFHGXSCOSB-UHFFFAOYSA-N	-1	3	274.298	1.292	50	5		CDBAHM
CCOC(=O)C(=C(C)[O-])c1ccc(N)cc1[N+](=O)[O-]	ZINC000004530443	356035380	/nfs/dbraw/zinc/03/53/80/356035380.db2.gz	YDHOUFMUOSRUKJ-LLVKDONJSA-N	-1	3	266.253	1.413	50	5		CDBAHM
CCc1nc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])n[nH]1	ZINC000097047386	375141371	/nfs/dbraw/zinc/14/13/71/375141371.db2.gz	JQCREXYWXGETKP-UHFFFAOYSA-N	-1	3	279.231	1.667	50	5		CDBAHM
O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1csnn1	ZINC000089421025	280054711	/nfs/dbraw/zinc/05/47/11/280054711.db2.gz	KNARAQZXPWCVGR-UHFFFAOYSA-N	-1	3	290.264	1.575	50	5		CDBAHM
CC(C)(C(=O)Nc1ccccc1[O-])n1cc([N+](=O)[O-])cn1	ZINC000095442655	374944480	/nfs/dbraw/zinc/94/44/80/374944480.db2.gz	UCTGENILCPHAOD-UHFFFAOYSA-N	-1	3	290.279	1.871	50	5		CDBAHM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cncs2)n1	ZINC000001012182	362503530	/nfs/dbraw/zinc/50/35/30/362503530.db2.gz	VXUROFPSDYWLMO-UHFFFAOYSA-N	-1	3	253.243	1.037	50	5		CDBAHM
Cc1cc(=O)[n-]c(NC(=N)Nc2cccc([N+](=O)[O-])c2)n1	ZINC000018107030	373989567	/nfs/dbraw/zinc/98/95/67/373989567.db2.gz	AJUMTJKQYYPVAK-UHFFFAOYSA-N	-1	3	288.267	1.445	50	5		CDBAHM
Cc1cnc(N(C)C[C@H](C)c2nnn[n-]2)c([N+](=O)[O-])c1	ZINC000129841009	369718918	/nfs/dbraw/zinc/71/89/18/369718918.db2.gz	AKLLFRSMRAUEGU-QMMMGPOBSA-N	-1	3	277.288	1.051	50	5		CDBAHM
Cc1cnc(N(C)C[C@H](C)c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000129841009	369718922	/nfs/dbraw/zinc/71/89/22/369718922.db2.gz	AKLLFRSMRAUEGU-QMMMGPOBSA-N	-1	3	277.288	1.051	50	5		CDBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCO1	ZINC000000304868	359459017	/nfs/dbraw/zinc/45/90/17/359459017.db2.gz	YJPMLMHCHGEDEG-VIFPVBQESA-N	-1	3	286.309	1.052	50	5		CDBAHM
O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000040566717	280362615	/nfs/dbraw/zinc/36/26/15/280362615.db2.gz	PQSIDAYQUUYIKI-UHFFFAOYSA-N	-1	3	259.147	1.794	50	5		CDBAHM
O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000040566717	280362617	/nfs/dbraw/zinc/36/26/17/280362617.db2.gz	PQSIDAYQUUYIKI-UHFFFAOYSA-N	-1	3	259.147	1.794	50	5		CDBAHM
O=c1cc([C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)[n-][nH]1	ZINC000585092769	930923014	/nfs/dbraw/zinc/92/30/14/930923014.db2.gz	NAHBUGYGHYFGTF-MRVPVSSYSA-N	-1	3	275.268	1.412	50	5		CDBAHM
CCOCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002728016	286070340	/nfs/dbraw/zinc/07/03/40/286070340.db2.gz	ULWDFPWCXJZVJC-UHFFFAOYSA-N	-1	3	288.325	1.300	50	5		CDBAHM
C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000001040976	261194933	/nfs/dbraw/zinc/19/49/33/261194933.db2.gz	VSDNDBHGNUIWJT-UHFFFAOYSA-N	-1	3	295.114	1.265	50	5		CDBAHM
Cc1ccnc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1[N+](=O)[O-]	ZINC000585141509	342219172	/nfs/dbraw/zinc/21/91/72/342219172.db2.gz	AUYXYDZTRDZWMB-VIFPVBQESA-N	-1	3	289.295	1.721	50	5		CDBAHM
CCOC([O-])=NC(=S)Nc1ccc([N+](=O)[O-])cn1	ZINC000095630340	185016972	/nfs/dbraw/zinc/01/69/72/185016972.db2.gz	GHPOKHBQTJQLBX-UHFFFAOYSA-N	-1	3	270.270	1.433	50	5		CDBAHM
CCOC(=O)[N-]C(=S)Nc1ccc([N+](=O)[O-])cn1	ZINC000095630340	185016973	/nfs/dbraw/zinc/01/69/73/185016973.db2.gz	GHPOKHBQTJQLBX-UHFFFAOYSA-N	-1	3	270.270	1.433	50	5		CDBAHM
CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1	ZINC000585098108	362036006	/nfs/dbraw/zinc/03/60/06/362036006.db2.gz	KKZQBCVENSMGPV-MRVPVSSYSA-N	-1	3	253.258	1.311	50	5		CDBAHM
CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000037023127	363315253	/nfs/dbraw/zinc/31/52/53/363315253.db2.gz	QTPMCZYRXYDLMU-UHFFFAOYSA-N	-1	3	264.690	1.546	50	5		CDBAHM
Cc1cc(C)n(-c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)n1	ZINC000012446086	374501809	/nfs/dbraw/zinc/50/18/09/374501809.db2.gz	KYCOMSAAUPTACB-UHFFFAOYSA-N	-1	3	285.267	1.577	50	5		CDBAHM
Cc1cc(C)n(-c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)n1	ZINC000012446086	374501816	/nfs/dbraw/zinc/50/18/16/374501816.db2.gz	KYCOMSAAUPTACB-UHFFFAOYSA-N	-1	3	285.267	1.577	50	5		CDBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCO1	ZINC000002736213	375306247	/nfs/dbraw/zinc/30/62/47/375306247.db2.gz	YJPMLMHCHGEDEG-SECBINFHSA-N	-1	3	286.309	1.052	50	5		CDBAHM
Cc1csc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1	ZINC000006413648	170199523	/nfs/dbraw/zinc/19/95/23/170199523.db2.gz	HOTQMLKOYQFXTL-UHFFFAOYSA-N	-1	3	253.243	1.335	50	5		CDBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1CC1	ZINC000024433819	171434925	/nfs/dbraw/zinc/43/49/25/171434925.db2.gz	OZBSFHSFPFTCED-UHFFFAOYSA-N	-1	3	256.283	1.283	50	5		CDBAHM
Cc1nn(C)c([N-]c2ccn(CC(F)F)n2)c1[N+](=O)[O-]	ZINC000096452694	230376221	/nfs/dbraw/zinc/37/62/21/230376221.db2.gz	ILIFKYVSNYOWKJ-UHFFFAOYSA-N	-1	3	286.242	1.842	50	5		CDBAHM
O=c1cc([C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)[n-][nH]1	ZINC000585092770	930923762	/nfs/dbraw/zinc/92/37/62/930923762.db2.gz	NAHBUGYGHYFGTF-QMMMGPOBSA-N	-1	3	275.268	1.412	50	5		CDBAHM
O=C(Nc1ccc2c[nH]nc2c1)c1cc([N+](=O)[O-])cnc1[O-]	ZINC000192682899	362671612	/nfs/dbraw/zinc/67/16/12/362671612.db2.gz	UNMUVDVZAJHQNO-UHFFFAOYSA-N	-1	3	299.246	1.824	50	5		CDBAHM
O=C(Nc1ccc2c[nH]nc2c1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000192682899	362671620	/nfs/dbraw/zinc/67/16/20/362671620.db2.gz	UNMUVDVZAJHQNO-UHFFFAOYSA-N	-1	3	299.246	1.824	50	5		CDBAHM
Cn1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1	ZINC000025309833	362509556	/nfs/dbraw/zinc/50/95/56/362509556.db2.gz	IWZKDTLDBYPGLA-UHFFFAOYSA-N	-1	3	286.251	1.457	50	5		CDBAHM
O=C([N-]c1nncs1)c1cccc([N+](=O)[O-])c1	ZINC000000127493	359120539	/nfs/dbraw/zinc/12/05/39/359120539.db2.gz	MEIANMMMYMSTED-UHFFFAOYSA-N	-1	3	250.239	1.699	50	5		CDBAHM
COC(=O)C(C)(C)ON=C([O-])Nc1ccccc1[N+](=O)[O-]	ZINC000004164012	377072020	/nfs/dbraw/zinc/07/20/20/377072020.db2.gz	BVSWUMMEASQLGE-UHFFFAOYSA-N	-1	3	297.267	1.600	50	5		CDBAHM
COC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004164012	377072028	/nfs/dbraw/zinc/07/20/28/377072028.db2.gz	BVSWUMMEASQLGE-UHFFFAOYSA-N	-1	3	297.267	1.600	50	5		CDBAHM
O=C([N-]c1cccc([N+](=O)[O-])c1)c1csnn1	ZINC000020894202	171278026	/nfs/dbraw/zinc/27/80/26/171278026.db2.gz	GJGFXOLXRBUYGN-UHFFFAOYSA-N	-1	3	250.239	1.699	50	5		CDBAHM
Cc1c(F)cc(S(=O)(=O)[N-]CCCF)cc1[N+](=O)[O-]	ZINC000097097221	342189968	/nfs/dbraw/zinc/18/99/68/342189968.db2.gz	XIPVUUKLACGGBF-UHFFFAOYSA-N	-1	3	294.279	1.680	50	5		CDBAHM
Cc1cc([N+](=O)[O-])cnc1N1Cc2nc(C)[n-]c(=O)c2C1	ZINC000585132785	342215334	/nfs/dbraw/zinc/21/53/34/342215334.db2.gz	VPJXLGDUMQZOQM-UHFFFAOYSA-N	-1	3	287.279	1.622	50	5		CDBAHM
CCCn1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000000469979	362105237	/nfs/dbraw/zinc/10/52/37/362105237.db2.gz	DJJMBPKLZDFFIV-UHFFFAOYSA-N	-1	3	276.256	1.244	50	5		CDBAHM
Cc1cc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248323	375938315	/nfs/dbraw/zinc/93/83/15/375938315.db2.gz	AAYOMBDCHBBPRQ-UHFFFAOYSA-N	-1	3	268.269	1.933	50	5		CDBAHM
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncccc1[O-]	ZINC000012742404	377941842	/nfs/dbraw/zinc/94/18/42/377941842.db2.gz	LUQYAWLLACQRLX-UHFFFAOYSA-N	-1	3	289.247	1.713	50	5		CDBAHM
Nc1nc([N-]c2ccc(F)cc2F)ncc1[N+](=O)[O-]	ZINC000070644118	379432569	/nfs/dbraw/zinc/43/25/69/379432569.db2.gz	ZNWISCILHDGLII-UHFFFAOYSA-N	-1	3	267.195	1.989	50	5		CDBAHM
CN(C)c1nc(N)c([N+](=O)[O-])c([N-]c2ccccc2F)n1	ZINC000005065867	170063190	/nfs/dbraw/zinc/06/31/90/170063190.db2.gz	ATYHZYRPLAOFPA-UHFFFAOYSA-N	-1	3	292.274	1.916	50	5		CDBAHM
O=[N+]([O-])c1cccnc1[N-]N=c1[nH]cccc1[N+](=O)[O-]	ZINC000004457481	356358162	/nfs/dbraw/zinc/35/81/62/356358162.db2.gz	PRXGDUZUPHGPCZ-UHFFFAOYSA-N	-1	3	276.212	1.732	50	5		CDBAHM
NC(=O)COc1cc(=O)c2c([O-])c3ccccc3oc-2c1	ZINC000004090104	375864737	/nfs/dbraw/zinc/86/47/37/375864737.db2.gz	HFPPIBSQUZOTSN-UHFFFAOYSA-N	-1	3	285.255	1.516	50	5	biogenic	CDBAHM
NC(=O)COc1cc([O-])c2c(c1)oc1ccccc1c2=O	ZINC000004090104	375864741	/nfs/dbraw/zinc/86/47/41/375864741.db2.gz	HFPPIBSQUZOTSN-UHFFFAOYSA-N	-1	3	285.255	1.516	50	5	biogenic	CDBAHM
CCOC(=O)C(=O)[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000048547954	175436804	/nfs/dbraw/zinc/43/68/04/175436804.db2.gz	WNIQNGVORSWYKE-UHFFFAOYSA-N	-1	3	283.196	1.005	50	5		CDBAHM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncccc1[O-]	ZINC000024983952	359675240	/nfs/dbraw/zinc/67/52/40/359675240.db2.gz	ZYCGOYDGVJMQPL-UHFFFAOYSA-N	-1	3	273.248	1.877	50	5		CDBAHM
CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl	ZINC000004549983	364811833	/nfs/dbraw/zinc/81/18/33/364811833.db2.gz	HFRRHHSEMHKKIK-UHFFFAOYSA-N	-1	3	250.663	1.620	50	5		CDBAHM
Cc1cc(OC(=O)c2ccco2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248401	375937960	/nfs/dbraw/zinc/93/79/60/375937960.db2.gz	VVZFFCJUOJVJBY-UHFFFAOYSA-N	-1	3	264.193	1.404	50	5		CDBAHM
O=C([N-]Cc1noc(-c2ccccc2[N+](=O)[O-])n1)C(F)F	ZINC000253429150	373736129	/nfs/dbraw/zinc/73/61/29/373736129.db2.gz	GQTDBUVRKJJAHB-UHFFFAOYSA-N	-1	3	298.205	1.526	50	5		CDBAHM
COc1cc(CN(C)CCN(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000004948596	170044405	/nfs/dbraw/zinc/04/44/05/170044405.db2.gz	HVLYZSFYSVWPDB-UHFFFAOYSA-N	-1	3	283.328	1.302	50	5		CDBAHM
CCn1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000000557848	357227765	/nfs/dbraw/zinc/22/77/65/357227765.db2.gz	ODAKQUZRUFKOOY-UHFFFAOYSA-N	-1	3	296.674	1.507	50	5		CDBAHM
O=c1c([N+](=O)[O-])c(C=Cc2cccs2)[n-]c2ncnn21	ZINC000033756763	360169298	/nfs/dbraw/zinc/16/92/98/360169298.db2.gz	LDRYEPNUURUTAZ-ONEGZZNKSA-N	-1	3	289.276	1.970	50	5		CDBAHM
O=C1[N-]C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc1c32	ZINC000059357829	284865840	/nfs/dbraw/zinc/86/58/40/284865840.db2.gz	HDABQAJHPWQHNF-UHFFFAOYSA-N	-1	3	287.187	1.540	50	5		CDBAHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C	ZINC000070247437	361868152	/nfs/dbraw/zinc/86/81/52/361868152.db2.gz	DJVOBSOAHSUGEY-UHFFFAOYSA-N	-1	3	274.298	1.290	50	5		CDBAHM
CC[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000186121	359263327	/nfs/dbraw/zinc/26/33/27/359263327.db2.gz	GTJHLKNZGZFMKV-QMMMGPOBSA-N	-1	3	258.299	1.672	50	5		CDBAHM
CCCCn1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000002865906	375352377	/nfs/dbraw/zinc/35/23/77/375352377.db2.gz	LUAGDRFTCHGQDV-UHFFFAOYSA-N	-1	3	290.283	1.634	50	5		CDBAHM
CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000032401417	375944826	/nfs/dbraw/zinc/94/48/26/375944826.db2.gz	GEMQKNMPZBACFV-UHFFFAOYSA-N	-1	3	288.325	1.682	50	5		CDBAHM
CCn1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1	ZINC000000558465	357227411	/nfs/dbraw/zinc/22/74/11/357227411.db2.gz	YLNOXHJANYMSIQ-UHFFFAOYSA-N	-1	3	296.674	1.507	50	5		CDBAHM
O=C([N-]c1ccccc1[N+](=O)[O-])c1cnsn1	ZINC000043691434	357415507	/nfs/dbraw/zinc/41/55/07/357415507.db2.gz	NLCGJIZKTLYEKH-UHFFFAOYSA-N	-1	3	250.239	1.699	50	5		CDBAHM
Cc1nc(N2CCC[C@H](c3nnn[n-]3)C2)ccc1[N+](=O)[O-]	ZINC000097147825	567905180	/nfs/dbraw/zinc/90/51/80/567905180.db2.gz	DLANPNJVEUUKHF-VIFPVBQESA-N	-1	3	289.299	1.195	50	5		CDBAHM
Cc1nc(N2CCC[C@H](c3nn[n-]n3)C2)ccc1[N+](=O)[O-]	ZINC000097147825	567905181	/nfs/dbraw/zinc/90/51/81/567905181.db2.gz	DLANPNJVEUUKHF-VIFPVBQESA-N	-1	3	289.299	1.195	50	5		CDBAHM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1nn[n-]c1Cl	ZINC000004476229	356360696	/nfs/dbraw/zinc/36/06/96/356360696.db2.gz	MZYLHSUENGDQMV-UHFFFAOYSA-N	-1	3	267.632	1.619	50	5		CDBAHM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1[n-]nnc1Cl	ZINC000004476229	356360698	/nfs/dbraw/zinc/36/06/98/356360698.db2.gz	MZYLHSUENGDQMV-UHFFFAOYSA-N	-1	3	267.632	1.619	50	5		CDBAHM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1n[n-]nc1Cl	ZINC000004476229	356360700	/nfs/dbraw/zinc/36/07/00/356360700.db2.gz	MZYLHSUENGDQMV-UHFFFAOYSA-N	-1	3	267.632	1.619	50	5		CDBAHM
O=C([N-]c1cccc([N+](=O)[O-])c1)c1cnsn1	ZINC000000618964	358678380	/nfs/dbraw/zinc/67/83/80/358678380.db2.gz	UYZQXEBHABVNHR-UHFFFAOYSA-N	-1	3	250.239	1.699	50	5		CDBAHM
COc1cc(CN2CCN(C)CC2)cc([N+](=O)[O-])c1[O-]	ZINC000019537138	367948888	/nfs/dbraw/zinc/94/88/88/367948888.db2.gz	OFXZTMZBLFXEAC-UHFFFAOYSA-N	-1	3	281.312	1.056	50	5		CDBAHM
O=C([N-]c1nc[nH]n1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000005749626	170136752	/nfs/dbraw/zinc/13/67/52/170136752.db2.gz	MBHBFHOMLOIWHW-UHFFFAOYSA-N	-1	3	267.632	1.619	50	5		CDBAHM
O=C([O-])CN(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000037598069	369243411	/nfs/dbraw/zinc/24/34/11/369243411.db2.gz	SHEXURZABHONCC-UHFFFAOYSA-N	-1	3	250.254	1.644	50	5		CDBAHM
CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000575444396	365698866	/nfs/dbraw/zinc/69/88/66/365698866.db2.gz	NOBHPDRJLVEJBC-UHFFFAOYSA-N	-1	3	299.352	1.957	50	5		CDBAHM
COc1[n-]nc(C(=O)Nc2ccccc2F)c1[N+](=O)[O-]	ZINC000000800691	359066715	/nfs/dbraw/zinc/06/67/15/359066715.db2.gz	NSUNXMMHZBGCTA-UHFFFAOYSA-N	-1	3	280.215	1.718	50	5		CDBAHM
COc1n[n-]c(C(=O)Nc2ccccc2F)c1[N+](=O)[O-]	ZINC000000800691	359066719	/nfs/dbraw/zinc/06/67/19/359066719.db2.gz	NSUNXMMHZBGCTA-UHFFFAOYSA-N	-1	3	280.215	1.718	50	5		CDBAHM
Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1	ZINC000012446108	374502075	/nfs/dbraw/zinc/50/20/75/374502075.db2.gz	QQASLULXJUJQOE-UHFFFAOYSA-N	-1	3	285.267	1.577	50	5		CDBAHM
Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1	ZINC000012446108	374502079	/nfs/dbraw/zinc/50/20/79/374502079.db2.gz	QQASLULXJUJQOE-UHFFFAOYSA-N	-1	3	285.267	1.577	50	5		CDBAHM
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](c2nnn[n-]2)C1	ZINC000097234762	358050465	/nfs/dbraw/zinc/05/04/65/358050465.db2.gz	SEHAOBQDLZHLKP-QMMMGPOBSA-N	-1	3	292.274	1.631	50	5		CDBAHM
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](c2nn[n-]n2)C1	ZINC000097234762	358050466	/nfs/dbraw/zinc/05/04/66/358050466.db2.gz	SEHAOBQDLZHLKP-QMMMGPOBSA-N	-1	3	292.274	1.631	50	5		CDBAHM
O=c1[n-]cnc2oc(-c3ccc([N+](=O)[O-])cc3)nc21	ZINC000012395115	296526107	/nfs/dbraw/zinc/52/61/07/296526107.db2.gz	WFZBEHHNVWIVAK-UHFFFAOYSA-N	-1	3	258.193	1.486	50	5		CDBAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc([N+](=O)[O-])o2)S1	ZINC000020895664	171278308	/nfs/dbraw/zinc/27/83/08/171278308.db2.gz	IKKRCMUYNKWHBP-SECBINFHSA-N	-1	3	298.280	1.189	50	5		CDBAHM
CCOC(=O)C(=C(C)[O-])c1ccc(N)cc1[N+](=O)[O-]	ZINC000004530444	356384103	/nfs/dbraw/zinc/38/41/03/356384103.db2.gz	YDHOUFMUOSRUKJ-NSHDSACASA-N	-1	3	266.253	1.413	50	5		CDBAHM
C[C@@H](CN(C)c1ncc(Cl)cc1[N+](=O)[O-])c1nnn[n-]1	ZINC000129829327	369626360	/nfs/dbraw/zinc/62/63/60/369626360.db2.gz	FVQYEGNTOQQZDY-LURJTMIESA-N	-1	3	297.706	1.396	50	5		CDBAHM
C[C@@H](CN(C)c1ncc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1	ZINC000129829327	369626362	/nfs/dbraw/zinc/62/63/62/369626362.db2.gz	FVQYEGNTOQQZDY-LURJTMIESA-N	-1	3	297.706	1.396	50	5		CDBAHM
COc1[n-]nc(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000006187461	170181537	/nfs/dbraw/zinc/18/15/37/170181537.db2.gz	WWKGSFXOPYORNH-UHFFFAOYSA-N	-1	3	298.205	1.857	50	5		CDBAHM
COc1n[n-]c(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000006187461	170181540	/nfs/dbraw/zinc/18/15/40/170181540.db2.gz	WWKGSFXOPYORNH-UHFFFAOYSA-N	-1	3	298.205	1.857	50	5		CDBAHM
CN(C)CCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013079405	374642057	/nfs/dbraw/zinc/64/20/57/374642057.db2.gz	JVXUOEPLAWLTDA-UHFFFAOYSA-N	-1	3	253.258	1.267	50	5		CDBAHM
CC(C)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000441500	361976046	/nfs/dbraw/zinc/97/60/46/361976046.db2.gz	OMTDFLIRLUVIQE-UHFFFAOYSA-N	-1	3	272.326	1.919	50	5		CDBAHM
COc1ccc(C=Cc2nccc(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000089466047	746975029	/nfs/dbraw/zinc/97/50/29/746975029.db2.gz	OYANEBSWMYKAGM-HWKANZROSA-N	-1	3	273.248	1.857	50	5		CDBAHM
COCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000029971250	375533875	/nfs/dbraw/zinc/53/38/75/375533875.db2.gz	SIXNHZOURODUCH-UHFFFAOYSA-N	-1	3	294.716	1.173	50	5		CDBAHM
O=C([O-])C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000003747797	362255179	/nfs/dbraw/zinc/25/51/79/362255179.db2.gz	LBVNOYYAWUGGRB-UHFFFAOYSA-N	-1	3	264.281	1.891	50	5		CDBAHM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nccs2)n1	ZINC000000995080	362490240	/nfs/dbraw/zinc/49/02/40/362490240.db2.gz	ZAZIMXHSFQDZMS-UHFFFAOYSA-N	-1	3	253.243	1.037	50	5		CDBAHM
Cc1ccnc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1[N+](=O)[O-]	ZINC000585141508	342219278	/nfs/dbraw/zinc/21/92/78/342219278.db2.gz	AUYXYDZTRDZWMB-SECBINFHSA-N	-1	3	289.295	1.721	50	5		CDBAHM
O=[N+]([O-])c1cc(CN2CCC[C@H](CO)C2)ccc1[O-]	ZINC000023280482	358657047	/nfs/dbraw/zinc/65/70/47/358657047.db2.gz	YWVCIBCGNOKLKZ-NSHDSACASA-N	-1	3	266.297	1.505	50	5		CDBAHM
O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1cnsn1	ZINC000000151274	359156394	/nfs/dbraw/zinc/15/63/94/359156394.db2.gz	GZKWPPBVXPZYHY-UHFFFAOYSA-N	-1	3	268.229	1.838	50	5		CDBAHM
CCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000004006702	375836105	/nfs/dbraw/zinc/83/61/05/375836105.db2.gz	HJFAPXHHSJMZAB-UHFFFAOYSA-N	-1	3	258.299	1.673	50	5		CDBAHM
Cc1cc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248358	375937541	/nfs/dbraw/zinc/93/75/41/375937541.db2.gz	FPKICDDLYWJADG-UHFFFAOYSA-N	-1	3	292.222	1.950	50	5		CDBAHM
CCC(CC)C(=O)Oc1cc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC000004248324	375937835	/nfs/dbraw/zinc/93/78/35/375937835.db2.gz	NOCVRVSHTPWDRW-UHFFFAOYSA-N	-1	3	268.269	1.933	50	5		CDBAHM
Nc1ncnc([N-]c2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000004059584	230368153	/nfs/dbraw/zinc/36/81/53/230368153.db2.gz	RWPWPWHDCMEJIF-UHFFFAOYSA-N	-1	3	267.195	1.989	50	5		CDBAHM
O=c1[n-]n2c(=O)c3ccccc3nc2c2ccccc12	ZINC000000364066	285202679	/nfs/dbraw/zinc/20/26/79/285202679.db2.gz	ZTLLFUWIPJIXPH-UHFFFAOYSA-N	-1	3	263.256	1.689	50	5		CDBAHM
O=C(Nc1cccc([N+](=O)[O-])c1)c1[n-]nnc1Cl	ZINC000001417937	378196371	/nfs/dbraw/zinc/19/63/71/378196371.db2.gz	VUKUCTSHJLBFFZ-UHFFFAOYSA-N	-1	3	267.632	1.619	50	5		CDBAHM
O=C(Nc1cccc([N+](=O)[O-])c1)c1nn[n-]c1Cl	ZINC000001417937	378196378	/nfs/dbraw/zinc/19/63/78/378196378.db2.gz	VUKUCTSHJLBFFZ-UHFFFAOYSA-N	-1	3	267.632	1.619	50	5		CDBAHM
O=C(Nc1cccc([N+](=O)[O-])c1)c1n[n-]nc1Cl	ZINC000001417937	378196383	/nfs/dbraw/zinc/19/63/83/378196383.db2.gz	VUKUCTSHJLBFFZ-UHFFFAOYSA-N	-1	3	267.632	1.619	50	5		CDBAHM
Cc1onc(C(=O)[N-]c2ccc3c(c2)OCO3)c1[N+](=O)[O-]	ZINC000004937316	170042554	/nfs/dbraw/zinc/04/25/54/170042554.db2.gz	OATUWBJZTFRCCO-UHFFFAOYSA-N	-1	3	291.219	1.872	50	5		CDBAHM
CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000037064493	363345657	/nfs/dbraw/zinc/34/56/57/363345657.db2.gz	LFACPTKEKICMRO-UHFFFAOYSA-N	-1	3	264.690	1.546	50	5		CDBAHM
O=c1c([N+](=O)[O-])c(C=Cc2cccs2)[n-]c2ncnn21	ZINC000033756762	360169238	/nfs/dbraw/zinc/16/92/38/360169238.db2.gz	LDRYEPNUURUTAZ-ARJAWSKDSA-N	-1	3	289.276	1.970	50	5		CDBAHM
Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)c2nnn[n-]2)c1	ZINC000129863186	369910450	/nfs/dbraw/zinc/91/04/50/369910450.db2.gz	VVCLRWHBQKPHRB-SECBINFHSA-N	-1	3	276.300	1.656	50	5		CDBAHM
Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)c2nn[n-]n2)c1	ZINC000129863186	369910455	/nfs/dbraw/zinc/91/04/55/369910455.db2.gz	VVCLRWHBQKPHRB-SECBINFHSA-N	-1	3	276.300	1.656	50	5		CDBAHM
Cc1cc(OC(=O)CC(C)C)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248322	375937482	/nfs/dbraw/zinc/93/74/82/375937482.db2.gz	CZOQDWVEWUCYQW-UHFFFAOYSA-N	-1	3	254.242	1.543	50	5		CDBAHM
O=C([O-])CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000008418501	376851934	/nfs/dbraw/zinc/85/19/34/376851934.db2.gz	MKWJHAIKHQESOY-UHFFFAOYSA-N	-1	3	279.296	1.192	50	5		CDBAHM
C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000021816052	357479178	/nfs/dbraw/zinc/47/91/78/357479178.db2.gz	DIZFYBKFPSKWRH-UHFFFAOYSA-N	-1	3	250.663	1.156	50	5		CDBAHM
CCc1cnc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[n-]1	ZINC000178116799	189091593	/nfs/dbraw/zinc/09/15/93/189091593.db2.gz	OAONZKNYNFOELS-UHFFFAOYSA-N	-1	3	295.320	1.854	50	5		CDBAHM
CCc1c[n-]c(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1	ZINC000178116799	189091594	/nfs/dbraw/zinc/09/15/94/189091594.db2.gz	OAONZKNYNFOELS-UHFFFAOYSA-N	-1	3	295.320	1.854	50	5		CDBAHM
Cc1cc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248359	375937921	/nfs/dbraw/zinc/93/79/21/375937921.db2.gz	NFGLBZHIKYGTIQ-UHFFFAOYSA-N	-1	3	292.222	1.950	50	5		CDBAHM
COc1[n-]nc(C(=O)Nc2ncc(C)s2)c1[N+](=O)[O-]	ZINC000004631391	357441569	/nfs/dbraw/zinc/44/15/69/357441569.db2.gz	WYAQWYPEZHNLEW-UHFFFAOYSA-N	-1	3	283.269	1.344	50	5		CDBAHM
COc1n[n-]c(C(=O)Nc2ncc(C)s2)c1[N+](=O)[O-]	ZINC000004631391	357441572	/nfs/dbraw/zinc/44/15/72/357441572.db2.gz	WYAQWYPEZHNLEW-UHFFFAOYSA-N	-1	3	283.269	1.344	50	5		CDBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccncc1	ZINC000000333752	359520031	/nfs/dbraw/zinc/52/00/31/359520031.db2.gz	BYBWNRWKFSHCJU-UHFFFAOYSA-N	-1	3	293.304	1.468	50	5		CDBAHM
Cc1cc(C)n([N-]C(=O)c2cccc([N+](=O)[O-])c2)c(=O)c1	ZINC000002791499	375330211	/nfs/dbraw/zinc/33/02/11/375330211.db2.gz	IIZFNLQFGPNSAF-UHFFFAOYSA-N	-1	3	287.275	1.757	50	5		CDBAHM
CCOC(=O)c1c[n-]c2ccc([N+](=O)[O-])cc2c1=O	ZINC000008652206	170343963	/nfs/dbraw/zinc/34/39/63/170343963.db2.gz	DBJCDCSZGDONQQ-UHFFFAOYSA-N	-1	3	262.221	1.613	50	5		CDBAHM
CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1[O-]	ZINC000008652206	170343964	/nfs/dbraw/zinc/34/39/64/170343964.db2.gz	DBJCDCSZGDONQQ-UHFFFAOYSA-N	-1	3	262.221	1.613	50	5		CDBAHM
C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000173005323	705531425	/nfs/dbraw/zinc/53/14/25/705531425.db2.gz	RGLQVAZHRDAQCH-UHFFFAOYSA-N	-1	3	295.114	1.265	50	5		CDBAHM
Cn1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1	ZINC000032796797	260145855	/nfs/dbraw/zinc/14/58/55/260145855.db2.gz	NAAVFVUNRYHPFT-UHFFFAOYSA-N	-1	3	286.251	1.457	50	5		CDBAHM
C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000021810520	277036841	/nfs/dbraw/zinc/03/68/41/277036841.db2.gz	HQWDUSKGEOZAEL-UHFFFAOYSA-N	-1	3	250.663	1.156	50	5		CDBAHM
COc1ccc(C=Cc2nccc(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000098052959	711976047	/nfs/dbraw/zinc/97/60/47/711976047.db2.gz	OYANEBSWMYKAGM-HYXAFXHYSA-N	-1	3	273.248	1.857	50	5		CDBAHM
O=C1C=C(c2ccc([N+](=O)[O-])cc2)Nc2nonc2[N-]1	ZINC000100339367	398111308	/nfs/dbraw/zinc/11/13/08/398111308.db2.gz	RXFDXRUXTWWMQG-UHFFFAOYSA-N	-1	3	273.208	1.383	50	5		CDBAHM
Nc1ccc([N+](=O)[O-])cc1-c1n[n-]c(=S)[nH]c1=O	ZINC000004018158	371836122	/nfs/dbraw/zinc/83/61/22/371836122.db2.gz	ZKLLGDRMXXVNDF-UHFFFAOYSA-N	-1	3	265.254	1.397	50	5		CDBAHM
CCOC(=O)C([O-])=Cc1cc(OC)ncc1[N+](=O)[O-]	ZINC000101132321	359237779	/nfs/dbraw/zinc/23/77/79/359237779.db2.gz	PAHPNPFDSJIXTJ-RUDMXATFSA-N	-1	3	268.225	1.460	50	5		CDBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccn1	ZINC000000272009	359418851	/nfs/dbraw/zinc/41/88/51/359418851.db2.gz	AXULDEPARWKQCB-UHFFFAOYSA-N	-1	3	293.304	1.468	50	5		CDBAHM
CCCCO[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005466071	170102139	/nfs/dbraw/zinc/10/21/39/170102139.db2.gz	OULRMTAIEJIDCM-UHFFFAOYSA-N	-1	3	274.298	1.605	50	5		CDBAHM
Cc1cc([N-]C(=O)COc2cccc([N+](=O)[O-])c2)on1	ZINC000032788871	356368962	/nfs/dbraw/zinc/36/89/62/356368962.db2.gz	PSCYPXRHAOMBNE-UHFFFAOYSA-N	-1	3	277.236	1.909	50	5		CDBAHM
Cc1ccnc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-]	ZINC000521398654	545101432	/nfs/dbraw/zinc/10/14/32/545101432.db2.gz	WTRCQDFIUGRVQC-VIFPVBQESA-N	-1	3	277.284	1.222	50	5		CDBAHM
Cc1ccnc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-]	ZINC000521398653	545101442	/nfs/dbraw/zinc/10/14/42/545101442.db2.gz	WTRCQDFIUGRVQC-SECBINFHSA-N	-1	3	277.284	1.222	50	5		CDBAHM
O=C([O-])C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000003747799	362255281	/nfs/dbraw/zinc/25/52/81/362255281.db2.gz	XKLVAOPKYLSINF-UHFFFAOYSA-N	-1	3	264.281	1.891	50	5		CDBAHM
Cn1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000001110191	260003660	/nfs/dbraw/zinc/00/36/60/260003660.db2.gz	YVPRKDHGGFQIFR-UHFFFAOYSA-N	-1	3	282.647	1.024	50	5		CDBAHM
Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c([O-])c1	ZINC000095977954	185052072	/nfs/dbraw/zinc/05/20/72/185052072.db2.gz	YIUPOIUXLPWMIK-UHFFFAOYSA-N	-1	3	262.225	1.584	50	5		CDBAHM
CCCN(CCO)Cc1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000023281310	358657480	/nfs/dbraw/zinc/65/74/80/358657480.db2.gz	ZOAVJKSVTUEEKF-UHFFFAOYSA-N	-1	3	284.312	1.513	50	5		CDBAHM
O=c1cc(N2CCCC2)[n-]n1-c1ccc([N+](=O)[O-])cc1	ZINC000004014821	284781800	/nfs/dbraw/zinc/78/18/00/284781800.db2.gz	GMXRVALYFNKUTQ-UHFFFAOYSA-N	-1	3	274.280	1.741	50	5		CDBAHM
CCn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cc(C)on1	ZINC000000371829	359629946	/nfs/dbraw/zinc/62/99/46/359629946.db2.gz	CUZZXRASKFRWMB-UHFFFAOYSA-N	-1	3	265.229	1.360	50	5		CDBAHM
CCC1N=NC(=S)N1[N-]C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000075280198	369041023	/nfs/dbraw/zinc/04/10/23/369041023.db2.gz	XHLXMQVRAPVCNL-UHFFFAOYSA-N	-1	3	293.308	1.421	50	5		CDBAHM
O=C(COc1ccccc1[N+](=O)[O-])Nc1ncccc1[O-]	ZINC000006608932	170218688	/nfs/dbraw/zinc/21/86/88/170218688.db2.gz	KGHVHUMFPJPQRC-UHFFFAOYSA-N	-1	3	289.247	1.713	50	5		CDBAHM
Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1	ZINC000012790698	278927347	/nfs/dbraw/zinc/92/73/47/278927347.db2.gz	ITWQUCPFADISTD-UHFFFAOYSA-N	-1	3	274.236	1.239	50	5		CDBAHM
CCOC(=O)Nc1n[n-]c(NC(=O)OCC)c1[N+](=O)[O-]	ZINC000013152585	374657062	/nfs/dbraw/zinc/65/70/62/374657062.db2.gz	MAJAJNBFGFUERK-UHFFFAOYSA-N	-1	3	287.232	1.455	50	5		CDBAHM
COc1ccc(S(=O)(=O)[N-]CC2CC2)c([N+](=O)[O-])c1	ZINC000024434334	366462792	/nfs/dbraw/zinc/46/27/92/366462792.db2.gz	NSQJHMZZFSYYMC-UHFFFAOYSA-N	-1	3	286.309	1.292	50	5		CDBAHM
CCOC([O-])=NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003383659	375674626	/nfs/dbraw/zinc/67/46/26/375674626.db2.gz	MCROKLQSCMGGHW-UHFFFAOYSA-N	-1	3	296.235	1.024	50	5		CDBAHM
CCOC(=O)[N-]C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003383659	375674628	/nfs/dbraw/zinc/67/46/28/375674628.db2.gz	MCROKLQSCMGGHW-UHFFFAOYSA-N	-1	3	296.235	1.024	50	5		CDBAHM
CCC(=O)NC(=S)[N-]c1ccccc1[N+](=O)[O-]	ZINC000004561649	356409996	/nfs/dbraw/zinc/40/99/96/356409996.db2.gz	JRPWXYOYBOWZNZ-UHFFFAOYSA-N	-1	3	253.283	1.818	50	5		CDBAHM
CCCCC(=O)Oc1cc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC000013523203	357115568	/nfs/dbraw/zinc/11/55/68/357115568.db2.gz	BKZRZPXJLAOYTD-UHFFFAOYSA-N	-1	3	254.242	1.687	50	5		CDBAHM
O=C([N-]c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013152083	374657266	/nfs/dbraw/zinc/65/72/66/374657266.db2.gz	XMAPXXOWOMQTLR-UHFFFAOYSA-N	-1	3	267.632	1.619	50	5		CDBAHM
CC(=O)Nc1nnc(Sc2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000030823061	375674901	/nfs/dbraw/zinc/67/49/01/375674901.db2.gz	GFBUWNISJRQABW-UHFFFAOYSA-N	-1	3	279.281	1.823	50	5		CDBAHM
CC(=O)Nc1nc(Sc2ccc([N+](=O)[O-])cc2)n[n-]1	ZINC000030823061	375674909	/nfs/dbraw/zinc/67/49/09/375674909.db2.gz	GFBUWNISJRQABW-UHFFFAOYSA-N	-1	3	279.281	1.823	50	5		CDBAHM
CC(=O)Nc1n[n-]c(Sc2ccc([N+](=O)[O-])cc2)n1	ZINC000030823061	375674912	/nfs/dbraw/zinc/67/49/12/375674912.db2.gz	GFBUWNISJRQABW-UHFFFAOYSA-N	-1	3	279.281	1.823	50	5		CDBAHM
COc1ccc(C(=O)[N-]c2nncs2)cc1[N+](=O)[O-]	ZINC000000175654	538459800	/nfs/dbraw/zinc/45/98/00/538459800.db2.gz	GXRSMAVCRJSTKK-UHFFFAOYSA-N	-1	3	280.265	1.707	50	5		CDBAHM
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nnn[n-]2)C1	ZINC000097049880	358126969	/nfs/dbraw/zinc/12/69/69/358126969.db2.gz	OTMZMIWSUAFGDO-VIFPVBQESA-N	-1	3	289.299	1.195	50	5		CDBAHM
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nn[n-]n2)C1	ZINC000097049880	358126973	/nfs/dbraw/zinc/12/69/73/358126973.db2.gz	OTMZMIWSUAFGDO-VIFPVBQESA-N	-1	3	289.299	1.195	50	5		CDBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCCC1	ZINC000002495805	375170288	/nfs/dbraw/zinc/17/02/88/375170288.db2.gz	SMAJHWAPCLMOPE-UHFFFAOYSA-N	-1	3	270.310	1.816	50	5		CDBAHM
CCCCOC(=O)c1c(O)nc(C)c([N+](=O)[O-])c1[O-]	ZINC000096193747	390468487	/nfs/dbraw/zinc/46/84/87/390468487.db2.gz	CNYQCTJPVGGAKD-UHFFFAOYSA-N	-1	3	270.241	1.666	50	5		CDBAHM
Cc1[nH]c(=O)[n-]c(=O)c1Sc1ccccc1[N+](=O)[O-]	ZINC000003164665	393233906	/nfs/dbraw/zinc/23/39/06/393233906.db2.gz	YFGMOKMLRBUTES-UHFFFAOYSA-N	-1	3	279.277	1.431	50	5		CDBAHM
Cc1cc2nc3c(nc2cc1N)[n-]c(=S)[nH]c3=O	ZINC000005583814	170116185	/nfs/dbraw/zinc/11/61/85/170116185.db2.gz	ZOSQSUFSLAZYHK-UHFFFAOYSA-N	-1	3	259.294	1.420	50	5		CDBAHM
C[C@@H](CN(C)c1ccc(F)cc1[N+](=O)[O-])c1nnn[n-]1	ZINC000095154291	358093316	/nfs/dbraw/zinc/09/33/16/358093316.db2.gz	SXUJLBGDACDBFW-ZETCQYMHSA-N	-1	3	280.263	1.487	50	5		CDBAHM
C[C@@H](CN(C)c1ccc(F)cc1[N+](=O)[O-])c1nn[n-]n1	ZINC000095154291	358093318	/nfs/dbraw/zinc/09/33/18/358093318.db2.gz	SXUJLBGDACDBFW-ZETCQYMHSA-N	-1	3	280.263	1.487	50	5		CDBAHM
O=C([O-])c1c(Cl)c([N+](=O)[O-])ccc1N1CCNCC1	ZINC000536955722	342146215	/nfs/dbraw/zinc/14/62/15/342146215.db2.gz	ZCVZPZCDGQMTLL-UHFFFAOYSA-N	-1	3	285.687	1.356	50	5		CDBAHM
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000097049881	358126987	/nfs/dbraw/zinc/12/69/87/358126987.db2.gz	OTMZMIWSUAFGDO-SECBINFHSA-N	-1	3	289.299	1.195	50	5		CDBAHM
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000097049881	358126991	/nfs/dbraw/zinc/12/69/91/358126991.db2.gz	OTMZMIWSUAFGDO-SECBINFHSA-N	-1	3	289.299	1.195	50	5		CDBAHM
C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000019984050	277037649	/nfs/dbraw/zinc/03/76/49/277037649.db2.gz	JLAQEYIYFMGKNS-UHFFFAOYSA-N	-1	3	250.663	1.156	50	5		CDBAHM
Cc1nnsc1C(=O)[N-]c1ncc([N+](=O)[O-])s1	ZINC000011914118	360430195	/nfs/dbraw/zinc/43/01/95/360430195.db2.gz	BXUTXNZIRCUPNB-UHFFFAOYSA-N	-1	3	271.283	1.464	50	5		CDBAHM
CNc1ccc(C(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-]	ZINC000022262618	171383012	/nfs/dbraw/zinc/38/30/12/171383012.db2.gz	SMYLTMIHKIWIGZ-UHFFFAOYSA-N	-1	3	288.263	1.989	50	5		CDBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000186117	359263081	/nfs/dbraw/zinc/26/30/81/359263081.db2.gz	GTJHLKNZGZFMKV-MRVPVSSYSA-N	-1	3	258.299	1.672	50	5		CDBAHM
CCCCNC(=O)c1c(C)c([N+](=O)[O-])c(C)[n-]c1=O	ZINC000005918645	363819345	/nfs/dbraw/zinc/81/93/45/363819345.db2.gz	NGCQWXRFAHGKQV-UHFFFAOYSA-N	-1	3	267.285	1.430	50	5		CDBAHM
COc1cc(CN2CCCN(C)CC2)cc([N+](=O)[O-])c1[O-]	ZINC000004832322	170026244	/nfs/dbraw/zinc/02/62/44/170026244.db2.gz	ULYUWBYPEDDMBQ-UHFFFAOYSA-N	-1	3	295.339	1.447	50	5		CDBAHM
Cc1cc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248357	373468200	/nfs/dbraw/zinc/46/82/00/373468200.db2.gz	HAECQMBQLFXLMQ-UHFFFAOYSA-N	-1	3	292.222	1.950	50	5		CDBAHM
Cc1cc(C)nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1	ZINC000000310345	390808919	/nfs/dbraw/zinc/80/89/19/390808919.db2.gz	UHEWHZMFGSHLFD-UHFFFAOYSA-N	-1	3	262.225	1.847	50	5		CDBAHM
O=c1[n-]ncc2cn(-c3ccc([N+](=O)[O-])cc3)nc21	ZINC000096306019	375079037	/nfs/dbraw/zinc/07/90/37/375079037.db2.gz	DMEVOXSHUDQVHE-UHFFFAOYSA-N	-1	3	257.209	1.429	50	5		CDBAHM
COC(=O)[N-]C(=S)Nc1cc([N+](=O)[O-])ccc1N	ZINC000005569960	170114876	/nfs/dbraw/zinc/11/48/76/170114876.db2.gz	QVXGXKQYZXVOJG-UHFFFAOYSA-N	-1	3	270.270	1.230	50	5		CDBAHM
Cc1nc(N2CCC[C@@H](c3nnn[n-]3)C2)ccc1[N+](=O)[O-]	ZINC000097147827	567905104	/nfs/dbraw/zinc/90/51/04/567905104.db2.gz	DLANPNJVEUUKHF-SECBINFHSA-N	-1	3	289.299	1.195	50	5		CDBAHM
Cc1nc(N2CCC[C@@H](c3nn[n-]n3)C2)ccc1[N+](=O)[O-]	ZINC000097147827	567905106	/nfs/dbraw/zinc/90/51/06/567905106.db2.gz	DLANPNJVEUUKHF-SECBINFHSA-N	-1	3	289.299	1.195	50	5		CDBAHM
C[C@H](CN(C)c1ncc(Cl)cc1[N+](=O)[O-])c1nnn[n-]1	ZINC000129829548	369626424	/nfs/dbraw/zinc/62/64/24/369626424.db2.gz	FVQYEGNTOQQZDY-ZCFIWIBFSA-N	-1	3	297.706	1.396	50	5		CDBAHM
C[C@H](CN(C)c1ncc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1	ZINC000129829548	369626428	/nfs/dbraw/zinc/62/64/28/369626428.db2.gz	FVQYEGNTOQQZDY-ZCFIWIBFSA-N	-1	3	297.706	1.396	50	5		CDBAHM
O=C(c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc([N+](=O)[O-])c1	ZINC000002909363	169844018	/nfs/dbraw/zinc/84/40/18/169844018.db2.gz	KUHXKQLGVUDBKC-UHFFFAOYSA-N	-1	3	296.238	1.709	50	5		CDBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccco1	ZINC000000040319	358012081	/nfs/dbraw/zinc/01/20/81/358012081.db2.gz	LBLWSOOAELDQCS-UHFFFAOYSA-N	-1	3	282.277	1.666	50	5		CDBAHM
O=C(Nc1ccc([O-])cc1F)c1n[nH]cc1[N+](=O)[O-]	ZINC000097238726	358051202	/nfs/dbraw/zinc/05/12/02/358051202.db2.gz	NFRJCZSUSBYUAC-UHFFFAOYSA-N	-1	3	266.188	1.415	50	5		CDBAHM
Cc1nccc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c1Cl	ZINC000097238761	358051233	/nfs/dbraw/zinc/05/12/33/358051233.db2.gz	WPFIVDASVZZDJF-UHFFFAOYSA-N	-1	3	281.659	1.927	50	5		CDBAHM
CC(C)(C)Cn1c(=O)[n-]c(=O)c2cc([N+](=O)[O-])cnc21	ZINC000000339416	359519899	/nfs/dbraw/zinc/51/98/99/359519899.db2.gz	AFEWFYULTUBETR-UHFFFAOYSA-N	-1	3	278.268	1.039	50	5		CDBAHM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)N2CCCCC2)cc1	ZINC000004171759	375903645	/nfs/dbraw/zinc/90/36/45/375903645.db2.gz	KHHGUYDZFNKACA-UHFFFAOYSA-N	-1	3	285.325	1.737	50	5		CDBAHM
O=C(Nc1ncccc1[O-])c1cccc([N+](=O)[O-])c1	ZINC000022263207	171382885	/nfs/dbraw/zinc/38/28/85/171382885.db2.gz	NWDNEEATZPWRRM-UHFFFAOYSA-N	-1	3	259.221	1.948	50	5		CDBAHM
O=C(Nn1cnc2ccccc21)c1cc([N+](=O)[O-])cnc1[O-]	ZINC000024865651	359012721	/nfs/dbraw/zinc/01/27/21/359012721.db2.gz	XUSHIRPVPMWGCI-UHFFFAOYSA-N	-1	3	299.246	1.429	50	5		CDBAHM
O=C(Nn1cnc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000024865651	359012724	/nfs/dbraw/zinc/01/27/24/359012724.db2.gz	XUSHIRPVPMWGCI-UHFFFAOYSA-N	-1	3	299.246	1.429	50	5		CDBAHM
O=c1[nH]cnc2[n-]c(-c3ccc([N+](=O)[O-])cc3)nc21	ZINC000000343662	359542255	/nfs/dbraw/zinc/54/22/55/359542255.db2.gz	KSIAYYJRCPQBCO-UHFFFAOYSA-N	-1	3	257.209	1.221	50	5		CDBAHM
Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c([O-])c1	ZINC000241383268	369071094	/nfs/dbraw/zinc/07/10/94/369071094.db2.gz	MTUSCKKAHFEZLS-UHFFFAOYSA-N	-1	3	288.263	1.838	50	5		CDBAHM
CCN1CCN(Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)CC1	ZINC000019536977	374747888	/nfs/dbraw/zinc/74/78/88/374747888.db2.gz	DNQGUMCBKFDZHK-UHFFFAOYSA-N	-1	3	295.339	1.447	50	5		CDBAHM
CCc1nonc1[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000016753449	366908059	/nfs/dbraw/zinc/90/80/59/366908059.db2.gz	SSRGTWXORRQHAB-UHFFFAOYSA-N	-1	3	262.225	1.793	50	5		CDBAHM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc([N+](=O)[O-])c2)n1	ZINC000002302668	373750114	/nfs/dbraw/zinc/75/01/14/373750114.db2.gz	VVPLMTIVXKZNEE-UHFFFAOYSA-N	-1	3	291.223	1.489	50	5		CDBAHM
O=C([O-])CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000116351744	374466714	/nfs/dbraw/zinc/46/67/14/374466714.db2.gz	ZJZPCJMONVGLPP-UHFFFAOYSA-N	-1	3	293.323	1.582	50	5		CDBAHM
O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc([O-])cc1F	ZINC000097236967	375156876	/nfs/dbraw/zinc/15/68/76/375156876.db2.gz	DRBIOLLBTXVJNK-UHFFFAOYSA-N	-1	3	294.242	1.665	50	5		CDBAHM
Cn1cnnc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000097102683	544553128	/nfs/dbraw/zinc/55/31/28/544553128.db2.gz	XGZJXFSATDHQAA-UHFFFAOYSA-N	-1	3	253.243	1.037	50	5		CDBAHM
O=C([N-]c1ncccn1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002048924	360532892	/nfs/dbraw/zinc/53/28/92/360532892.db2.gz	ZWUBVIQKGNGDFW-UHFFFAOYSA-N	-1	3	289.207	1.545	50	5		CDBAHM
COc1cc([N+](=O)[O-])ccc1[N-]C(=O)c1ccno1	ZINC000010254048	364614706	/nfs/dbraw/zinc/61/47/06/364614706.db2.gz	MPFAARWFLBWALR-UHFFFAOYSA-N	-1	3	263.209	1.844	50	5		CDBAHM
CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000035686125	172353670	/nfs/dbraw/zinc/35/36/70/172353670.db2.gz	TVULLNWMGXZRMJ-UHFFFAOYSA-N	-1	3	264.690	1.546	50	5		CDBAHM
Cc1nc2nc(=O)[n-]c(N)c2c2c3ccccc3oc(=O)c12	ZINC000059019881	293395471	/nfs/dbraw/zinc/39/54/71/293395471.db2.gz	ZRTYCWVFUYGXMX-UHFFFAOYSA-N	-1	3	294.270	1.468	50	5		CDBAHM
Cn1ncnc1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000095966637	303099740	/nfs/dbraw/zinc/09/97/40/303099740.db2.gz	LBYCQDDFRIDWRB-UHFFFAOYSA-N	-1	3	281.659	1.629	50	5		CDBAHM
O=c1cc(CSCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)[n-]1	ZINC000005769485	170138908	/nfs/dbraw/zinc/13/89/08/170138908.db2.gz	WQVFOAFYMWKFSG-UHFFFAOYSA-N	-1	3	293.304	1.405	50	5		CDBAHM
O=c1[n-]ncc2cn(-c3cccc([N+](=O)[O-])c3)nc21	ZINC000096306068	375079121	/nfs/dbraw/zinc/07/91/21/375079121.db2.gz	LXOKOYZEUSCONU-UHFFFAOYSA-N	-1	3	257.209	1.429	50	5		CDBAHM
NC(=O)c1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000004275738	375951157	/nfs/dbraw/zinc/95/11/57/375951157.db2.gz	HLKLMDNHTFDHQC-UHFFFAOYSA-N	-1	3	281.249	1.601	50	5		CDBAHM
CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1	ZINC000585098111	362036827	/nfs/dbraw/zinc/03/68/27/362036827.db2.gz	KKZQBCVENSMGPV-QMMMGPOBSA-N	-1	3	253.258	1.311	50	5		CDBAHM
O=[N+]([O-])c1cc(CSC2=NCCN2)ccc1[O-]	ZINC000004480811	356365279	/nfs/dbraw/zinc/36/52/79/356365279.db2.gz	AGFWYGFUNPIXDH-UHFFFAOYSA-N	-1	3	253.283	1.493	50	5		CDBAHM
CNC(=O)c1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000004281755	375954123	/nfs/dbraw/zinc/95/41/23/375954123.db2.gz	ARHMEUBAQJGPKA-UHFFFAOYSA-N	-1	3	295.276	1.861	50	5		CDBAHM
CN1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000020247197	393142652	/nfs/dbraw/zinc/14/26/52/393142652.db2.gz	XHRMWKJPUQKNII-UHFFFAOYSA-N	-1	3	279.296	1.435	50	5		CDBAHM
O=[N+]([O-])c1cc(CN2CCC[C@@H](CO)C2)ccc1[O-]	ZINC000023280479	358656984	/nfs/dbraw/zinc/65/69/84/358656984.db2.gz	YWVCIBCGNOKLKZ-LLVKDONJSA-N	-1	3	266.297	1.505	50	5		CDBAHM
Cc1csc([N-]C(=O)c2nn(C)c(C)c2[N+](=O)[O-])n1	ZINC000000376098	169622669	/nfs/dbraw/zinc/62/26/69/169622669.db2.gz	BYARPFFMMXJBGV-UHFFFAOYSA-N	-1	3	281.297	1.654	50	5		CDBAHM
O=C([N-]c1ccc(F)cc1F)c1n[nH]cc1[N+](=O)[O-]	ZINC000005642287	170123698	/nfs/dbraw/zinc/12/36/98/170123698.db2.gz	NPQGFMSNYNPHPQ-UHFFFAOYSA-N	-1	3	268.179	1.848	50	5		CDBAHM
COC(=O)C([O-])=Cc1nc(OC)ccc1[N+](=O)[O-]	ZINC000004321466	356235016	/nfs/dbraw/zinc/23/50/16/356235016.db2.gz	MXFNDGAASFFGAP-YVMONPNESA-N	-1	3	254.198	1.070	50	5		CDBAHM
CCOC(=O)C(=C(C)[O-])c1ccc(F)cc1[N+](=O)[O-]	ZINC000016697933	356445328	/nfs/dbraw/zinc/44/53/28/356445328.db2.gz	WHFHDPRMSQTXTM-NSHDSACASA-N	-1	3	269.228	1.970	50	5		CDBAHM
Cc1cc([N-]C(=O)c2c([N+](=O)[O-])c(C)nn2C)no1	ZINC000000355956	359580773	/nfs/dbraw/zinc/58/07/73/359580773.db2.gz	YSUCXIVQVVZRGC-UHFFFAOYSA-N	-1	3	265.229	1.185	50	5		CDBAHM
Cc1csc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n1	ZINC000002760242	375314164	/nfs/dbraw/zinc/31/41/64/375314164.db2.gz	VBTVZMYZHRYVOH-UHFFFAOYSA-N	-1	3	267.270	1.346	50	5		CDBAHM
O=C([N-]c1cccc([N+](=O)[O-])c1)c1n[nH]cc1[N+](=O)[O-]	ZINC000004170289	169940693	/nfs/dbraw/zinc/94/06/93/169940693.db2.gz	XLFWGZZUWCCPEE-UHFFFAOYSA-N	-1	3	277.196	1.478	50	5		CDBAHM
CCc1nc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])sc1C	ZINC000095978325	185051937	/nfs/dbraw/zinc/05/19/37/185051937.db2.gz	ZIBSBRVXZKPIGZ-UHFFFAOYSA-N	-1	3	281.297	1.898	50	5		CDBAHM
CCOC(=O)Cc1nc(-c2cccc([N+](=O)[O-])c2)n[n-]1	ZINC000032616687	356315833	/nfs/dbraw/zinc/31/58/33/356315833.db2.gz	CLHLWUYFQRBKFH-UHFFFAOYSA-N	-1	3	276.252	1.486	50	5		CDBAHM
CCOC(=O)Cc1n[n-]c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000032616687	356315835	/nfs/dbraw/zinc/31/58/35/356315835.db2.gz	CLHLWUYFQRBKFH-UHFFFAOYSA-N	-1	3	276.252	1.486	50	5		CDBAHM
CCOC(=O)Cc1nnc(-c2cccc([N+](=O)[O-])c2)[n-]1	ZINC000032616687	356315838	/nfs/dbraw/zinc/31/58/38/356315838.db2.gz	CLHLWUYFQRBKFH-UHFFFAOYSA-N	-1	3	276.252	1.486	50	5		CDBAHM
COc1cc(CN2CCCC2)cc([N+](=O)[O-])c1[O-]	ZINC000016662868	360278918	/nfs/dbraw/zinc/27/89/18/360278918.db2.gz	FKLLSGFLZZDZHQ-UHFFFAOYSA-N	-1	3	252.270	1.905	50	5		CDBAHM
O=c1nc2ccccc2c2[n-]c(=O)c(-c3ccccc3)nn12	ZINC000014162602	285227104	/nfs/dbraw/zinc/22/71/04/285227104.db2.gz	JVSWNLKZYRHQRG-UHFFFAOYSA-N	-1	3	290.282	1.598	50	5		CDBAHM
Cc1cccc2c([O-])c3c(=O)cc(OCC(N)=O)cc-3oc12	ZINC000008510809	170338470	/nfs/dbraw/zinc/33/84/70/170338470.db2.gz	QFVMBRPJZALENC-UHFFFAOYSA-N	-1	3	299.282	1.824	50	5	biogenic	CDBAHM
Cc1cccc2c1oc1cc(OCC(N)=O)cc([O-])c1c2=O	ZINC000008510809	170338472	/nfs/dbraw/zinc/33/84/72/170338472.db2.gz	QFVMBRPJZALENC-UHFFFAOYSA-N	-1	3	299.282	1.824	50	5	biogenic	CDBAHM
O=C([N-]c1nc[nH]n1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012341177	374492382	/nfs/dbraw/zinc/49/23/82/374492382.db2.gz	QUWNRNGWDDNUFU-UHFFFAOYSA-N	-1	3	267.632	1.619	50	5		CDBAHM
CC(=O)Nc1ccc2nc3c(nc2c1)[n-]c(=S)[nH]c3=O	ZINC000005817103	278205404	/nfs/dbraw/zinc/20/54/04/278205404.db2.gz	XQCCOQKZDJYGEJ-UHFFFAOYSA-N	-1	3	287.304	1.113	50	5		CDBAHM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CC1	ZINC000002512848	375183238	/nfs/dbraw/zinc/18/32/38/375183238.db2.gz	DSYSCGDVEQXZJR-UHFFFAOYSA-N	-1	3	276.701	1.689	50	5		CDBAHM
Cc1ncoc1C(=O)[N-]c1ncc([N+](=O)[O-])s1	ZINC000004148066	375894270	/nfs/dbraw/zinc/89/42/70/375894270.db2.gz	OFWUTLYOGLOZID-UHFFFAOYSA-N	-1	3	254.227	1.600	50	5		CDBAHM
COc1cc2c(C)[n-]c(=O)c([N+](=O)[O-])c2cc1OC	ZINC000008647779	286250000	/nfs/dbraw/zinc/25/00/00/286250000.db2.gz	UXHUJNKOWBDSNR-UHFFFAOYSA-N	-1	3	264.237	1.762	50	5		CDBAHM
Nc1ncc(-c2cc([N+](=O)[O-])ccc2Cl)c(=O)[n-]1	ZINC000004531151	341995830	/nfs/dbraw/zinc/99/58/30/341995830.db2.gz	YYTIRDPUMLAVHO-UHFFFAOYSA-N	-1	3	266.644	1.581	50	5		CDBAHM
CN(C)c1ccc2nc3c(nc2c1)[n-]c(=S)[nH]c3=O	ZINC000006265824	276885569	/nfs/dbraw/zinc/88/55/69/276885569.db2.gz	WZSALLUEIXDIGG-UHFFFAOYSA-N	-1	3	273.321	1.595	50	5		CDBAHM
Cc1cc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c(=O)[n-]1	ZINC000013523199	357115904	/nfs/dbraw/zinc/11/59/04/357115904.db2.gz	ABBZXOAEGKYVEX-UHFFFAOYSA-N	-1	3	254.242	1.543	50	5		CDBAHM
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000097234764	358050462	/nfs/dbraw/zinc/05/04/62/358050462.db2.gz	SEHAOBQDLZHLKP-MRVPVSSYSA-N	-1	3	292.274	1.631	50	5		CDBAHM
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000097234764	358050463	/nfs/dbraw/zinc/05/04/63/358050463.db2.gz	SEHAOBQDLZHLKP-MRVPVSSYSA-N	-1	3	292.274	1.631	50	5		CDBAHM
COc1ccc([N-]C(=O)c2cnccn2)c([N+](=O)[O-])c1	ZINC000004903484	170039159	/nfs/dbraw/zinc/03/91/59/170039159.db2.gz	SOSGLIHGWHAQAI-UHFFFAOYSA-N	-1	3	274.236	1.646	50	5		CDBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccno1	ZINC000010254045	170401973	/nfs/dbraw/zinc/40/19/73/170401973.db2.gz	SLCPHOPUTSUBHE-UHFFFAOYSA-N	-1	3	263.209	1.844	50	5		CDBAHM
CN(C)CCN(C)Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000004986174	170049546	/nfs/dbraw/zinc/04/95/46/170049546.db2.gz	ALEQYSMVRPJRLF-UHFFFAOYSA-N	-1	3	253.302	1.294	50	5		CDBAHM
CCn1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000000558531	357227586	/nfs/dbraw/zinc/22/75/86/357227586.db2.gz	GTIHRFBPKFZNQJ-UHFFFAOYSA-N	-1	3	296.674	1.507	50	5		CDBAHM
Cc1cc(C)n([N-]C(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c1	ZINC000002791180	169831692	/nfs/dbraw/zinc/83/16/92/169831692.db2.gz	AIZFTENFBWIFLI-UHFFFAOYSA-N	-1	3	287.275	1.757	50	5		CDBAHM
Cc1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nnn[n-]2)c1	ZINC000129863413	369910489	/nfs/dbraw/zinc/91/04/89/369910489.db2.gz	VVCLRWHBQKPHRB-VIFPVBQESA-N	-1	3	276.300	1.656	50	5		CDBAHM
Cc1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nn[n-]n2)c1	ZINC000129863413	369910492	/nfs/dbraw/zinc/91/04/92/369910492.db2.gz	VVCLRWHBQKPHRB-VIFPVBQESA-N	-1	3	276.300	1.656	50	5		CDBAHM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccccc21	ZINC000012775565	359000845	/nfs/dbraw/zinc/00/08/45/359000845.db2.gz	VIUZLYOJMHGUDL-UHFFFAOYSA-N	-1	3	285.259	1.486	50	5		CDBAHM
NC(=O)c1cscc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000618257047	364039918	/nfs/dbraw/zinc/03/99/18/364039918.db2.gz	PXTIXHHGEGQAJX-UHFFFAOYSA-N	-1	3	281.249	1.601	50	5		CDBAHM
CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000042265990	364551666	/nfs/dbraw/zinc/55/16/66/364551666.db2.gz	NZEKCKDXTXPUSZ-UHFFFAOYSA-N	-1	3	262.262	1.422	50	5		CDBAHM
C[C@H](CN(C)c1ccc(F)cc1[N+](=O)[O-])c1nnn[n-]1	ZINC000095154293	358093583	/nfs/dbraw/zinc/09/35/83/358093583.db2.gz	SXUJLBGDACDBFW-SSDOTTSWSA-N	-1	3	280.263	1.487	50	5		CDBAHM
C[C@H](CN(C)c1ccc(F)cc1[N+](=O)[O-])c1nn[n-]n1	ZINC000095154293	358093585	/nfs/dbraw/zinc/09/35/85/358093585.db2.gz	SXUJLBGDACDBFW-SSDOTTSWSA-N	-1	3	280.263	1.487	50	5		CDBAHM
COC(=O)C([O-])=Cc1nc(OC)ccc1[N+](=O)[O-]	ZINC000103852542	397917521	/nfs/dbraw/zinc/91/75/21/397917521.db2.gz	MXFNDGAASFFGAP-VMPITWQZSA-N	-1	3	254.198	1.070	50	5		CDBAHM
Cc1cnc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])s1	ZINC000000376080	359636608	/nfs/dbraw/zinc/63/66/08/359636608.db2.gz	WTJFGFYUXFBAFA-UHFFFAOYSA-N	-1	3	267.270	1.346	50	5		CDBAHM
CS(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004151068	375893771	/nfs/dbraw/zinc/89/37/71/375893771.db2.gz	RQWHKEOWVRYTBP-UHFFFAOYSA-N	-1	3	250.663	1.620	50	5		CDBAHM
O=C([N-]c1nncs1)c1ccc([N+](=O)[O-])cc1	ZINC000004725693	280069458	/nfs/dbraw/zinc/06/94/58/280069458.db2.gz	WRYLWIYFSMAOJA-UHFFFAOYSA-N	-1	3	250.239	1.699	50	5		CDBAHM
Cn1ncnc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000089741204	366926253	/nfs/dbraw/zinc/92/62/53/366926253.db2.gz	XYSIUUJUCBUQTF-UHFFFAOYSA-N	-1	3	281.659	1.629	50	5		CDBAHM
Cc1nn(CC(=O)Nc2ccccc2[O-])c(C)c1[N+](=O)[O-]	ZINC000009532676	170380880	/nfs/dbraw/zinc/38/08/80/170380880.db2.gz	OQBXSZBRPJQPON-UHFFFAOYSA-N	-1	3	290.279	1.752	50	5		CDBAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc([N+](=O)[O-])o2)S1	ZINC000020895667	171278238	/nfs/dbraw/zinc/27/82/38/171278238.db2.gz	IKKRCMUYNKWHBP-VIFPVBQESA-N	-1	3	298.280	1.189	50	5		CDBAHM
O=C([N-]c1ncc([N+](=O)[O-])s1)c1csnn1	ZINC000011914408	280064769	/nfs/dbraw/zinc/06/47/69/280064769.db2.gz	YZRFPZADHNAXRI-UHFFFAOYSA-N	-1	3	257.256	1.155	50	5		CDBAHM