smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCCc2ccc([N+](=O)[O-])cc21	22011241	536398170	/nfs/dbraw/zinc/39/81/70/536398170.db2.gz	UIQYGCGBKBKFJY-UHFFFAOYSA-N	0	0	192.218	1.977	50	5	in-vitro	ADBARN
O=[N+]([O-])C=C1CCCC1	32152031	537789266	/nfs/dbraw/zinc/78/92/66/537789266.db2.gz	FCFLHKHBKPPQQY-UHFFFAOYSA-N	0	0	127.143	1.721	50	5		ADBARN
CCC(CC)[N+](=O)[O-]	101103940	537950429	/nfs/dbraw/zinc/95/04/29/537950429.db2.gz	RXPKOTQRDGEKFY-UHFFFAOYSA-N	0	0	117.148	1.452	50	5		ADBARN
O=[N+]([O-])c1cc2c(cc1F)OCO2	114597347	537967490	/nfs/dbraw/zinc/96/74/90/537967490.db2.gz	BFBIFECVIJIGQK-UHFFFAOYSA-N	0	0	185.110	1.463	50	5		ADBARN
CCC(=C[N+](=O)[O-])CC	140796537	537996315	/nfs/dbraw/zinc/99/63/15/537996315.db2.gz	XOYGEDMFXWCIJS-UHFFFAOYSA-N	0	0	129.159	1.967	50	5		ADBARN
CN1Cc2c(cccc2[N+](=O)[O-])C1=O	168382505	538176793	/nfs/dbraw/zinc/17/67/93/538176793.db2.gz	HSUTVNSMXVHPMO-UHFFFAOYSA-N	0	0	192.174	1.180	50	5		ADBARN
COc1cc(C)cc([N+](=O)[O-])c1N	201391817	538185013	/nfs/dbraw/zinc/18/50/13/538185013.db2.gz	IARYQAUFSIJPDV-UHFFFAOYSA-N	0	0	182.179	1.494	50	5		ADBARN
CCCc1ccc([N+](=O)[O-])nc1	669378781	538445038	/nfs/dbraw/zinc/44/50/38/538445038.db2.gz	NGCDJXFVBCNGGR-UHFFFAOYSA-N	0	0	166.180	1.942	50	5		ADBARN
CCN(C)c1cc(N)c([N+](=O)[O-])cn1	669383011	538446613	/nfs/dbraw/zinc/44/66/13/538446613.db2.gz	QUGCLRJRYIUMME-UHFFFAOYSA-N	0	0	196.210	1.028	50	5		ADBARN
Nc1c[nH]c2ccc([N+](=O)[O-])cc12	669382917	538446448	/nfs/dbraw/zinc/44/64/48/538446448.db2.gz	NRXIEQJIEFTAOX-UHFFFAOYSA-N	0	0	177.163	1.658	50	5		ADBARN
O=[N+]([O-])C=C1CCC1	675062978	538450384	/nfs/dbraw/zinc/45/03/84/538450384.db2.gz	VURYGWTVJRAHMA-UHFFFAOYSA-N	0	0	113.116	1.331	50	5		ADBARN
CC(C)Oc1nn(C)cc1[N+](=O)[O-]	953000485	757568088	/nfs/dbraw/zinc/56/80/88/757568088.db2.gz	HRSGYKLMWRWVCM-UHFFFAOYSA-N	0	0	185.183	1.116	50	5		ADBARN
O=[N+]([O-])c1cnn2ccccc12	34278386	1169070069	/nfs/dbraw/zinc/07/00/69/1169070069.db2.gz	KFUYFMAYLGQJQP-UHFFFAOYSA-N	0	0	163.136	1.243	50	5		ADBARN
Cc1cc2oc(=O)[nH]c2cc1[N+](=O)[O-]	1505840682	1170608983	/nfs/dbraw/zinc/60/89/83/1170608983.db2.gz	PUNJBBAFSSZYIC-UHFFFAOYSA-N	0	0	194.146	1.750	50	5		ADBARN
CC(C)n1cnc([N+](=O)[O-])c1	15783418	572049429	/nfs/dbraw/zinc/04/94/29/572049429.db2.gz	LXGQVQUYSTYSSX-UHFFFAOYSA-N	0	0	155.157	1.372	50	5		ADBARN
CC(C)(C)CC[N+](=O)[O-]	114374765	572122015	/nfs/dbraw/zinc/12/20/15/572122015.db2.gz	NHQJMPLFMPCOJO-UHFFFAOYSA-N	0	0	131.175	1.699	50	5		ADBARN
CN(c1ncccc1[N+](=O)[O-])C1CC1	263623651	573666668	/nfs/dbraw/zinc/66/66/68/573666668.db2.gz	JIKBYDOHHDPVPB-UHFFFAOYSA-N	0	0	193.206	1.588	50	5		ADBARN
O=[N+]([O-])CCc1cc2ccccc2[nH]1	208161	574035538	/nfs/dbraw/zinc/03/55/38/574035538.db2.gz	BEWHWSJZHVRRKE-UHFFFAOYSA-N	0	0	190.202	1.987	50	5		ADBARN
C[N@+]1([O-])CCC[C@H]1c1cccnc1	242649151	574420619	/nfs/dbraw/zinc/42/06/19/574420619.db2.gz	RWFBQHICRCUQJJ-JQWIXIFHSA-N	0	0	178.235	1.861	50	5	endogenous,world	ADBARN
O=[N+]([O-])c1ccn(C2CC2)n1	17625259	486711945	/nfs/dbraw/zinc/71/19/45/486711945.db2.gz	HSFQRBCNMTWGGA-UHFFFAOYSA-N	0	0	153.141	1.126	50	5		ADBARN
O=[N+]([O-])c1c[nH]nc1C1CC1	42415343	486725999	/nfs/dbraw/zinc/72/59/99/486725999.db2.gz	WRYNUOFZIOHDEB-UHFFFAOYSA-N	0	0	153.141	1.195	50	5		ADBARN
O=[N+]([O-])c1ccc(-c2cc[nH]n2)cc1	3884177	582512572	/nfs/dbraw/zinc/51/25/72/582512572.db2.gz	IPIYADCDDIUVPS-UHFFFAOYSA-N	0	0	189.174	1.985	50	5	in-vivo	ADBARN
Cc1cccc(C(N)=O)c1[N+](=O)[O-]	3020384	582636350	/nfs/dbraw/zinc/63/63/50/582636350.db2.gz	HTVJDAQMMNMEBZ-UHFFFAOYSA-N	0	0	180.163	1.002	50	5		ADBARN
COc1cccc(CC[N+](=O)[O-])c1O	196252980	582677823	/nfs/dbraw/zinc/67/78/23/582677823.db2.gz	GOPPXSLDMCTJNS-UHFFFAOYSA-N	0	0	197.190	1.220	50	5		ADBARN
Nc1ccc(Cl)c([N+](=O)[O-])c1F	263615841	582698519	/nfs/dbraw/zinc/69/85/19/582698519.db2.gz	FLHRUUAENXYREY-UHFFFAOYSA-N	0	0	190.561	1.970	50	5		ADBARN
O=C(OCC[N+](=O)[O-])c1ccccc1	81589255	1188775954	/nfs/dbraw/zinc/77/59/54/1188775954.db2.gz	LGUHWEZQUSOAKW-UHFFFAOYSA-N	0	0	195.174	1.120	50	5		ADBARN
COc1cc(OC)c([N+](=O)[O-])cc1C	82017021	1188776095	/nfs/dbraw/zinc/77/60/95/1188776095.db2.gz	LHERHZJOVSKYSF-UHFFFAOYSA-N	0	0	197.190	1.920	50	5		ADBARN
O=c1nc2c(ccc3ncccc32)c[nH]1	117700029	1188777842	/nfs/dbraw/zinc/77/78/42/1188777842.db2.gz	QZGXKHLZLRKTOV-UHFFFAOYSA-N	0	0	197.197	1.471	50	5		ADBARN
COCOc1cc([N+](=O)[O-])ccc1N	114523291	1188777881	/nfs/dbraw/zinc/77/78/81/1188777881.db2.gz	SUYQWNRVDAAEJI-UHFFFAOYSA-N	0	0	198.178	1.160	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2c[n+]([O-])ccc12	2379206	697617709	/nfs/dbraw/zinc/61/77/09/697617709.db2.gz	WBAQSNZRHXVIOH-UHFFFAOYSA-N	0	0	190.158	1.381	50	5		ADBARN
O=[N+]([O-])c1cccc2cc(O)cnc12	200786254	697681631	/nfs/dbraw/zinc/68/16/31/697681631.db2.gz	UQLXAKHCXYHSNU-UHFFFAOYSA-N	0	0	190.158	1.849	50	5		ADBARN
NC(=O)Nc1ccccc1[N+](=O)[O-]	4018630	136407373	/nfs/dbraw/zinc/40/73/73/136407373.db2.gz	OEZUXIKLRGSNBT-UHFFFAOYSA-N	0	0	181.151	1.085	50	5		ADBARN
Cc1ccn2c([N+](=O)[O-])cnc2c1	129444	342927702	/nfs/dbraw/zinc/92/77/02/342927702.db2.gz	ZOAYHVZFPBPFJI-UHFFFAOYSA-N	0	0	177.163	1.551	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)NCC2	153773	342928565	/nfs/dbraw/zinc/92/85/65/342928565.db2.gz	LTNYDSMDSLOMSM-UHFFFAOYSA-N	0	0	164.164	1.563	50	5	in-vitro	ADBARN
Cc1cc(C(N)=O)ccc1[N+](=O)[O-]	153318	342928576	/nfs/dbraw/zinc/92/85/76/342928576.db2.gz	BCAAGQMIPKPDDX-UHFFFAOYSA-N	0	0	180.163	1.002	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])cnc1Cl	157715	342929277	/nfs/dbraw/zinc/92/92/77/342929277.db2.gz	OSIOIGXJUZTWRI-UHFFFAOYSA-N	0	0	172.571	1.952	50	5		ADBARN
Cc1c(N)cccc1[N+](=O)[O-]	157564	342929283	/nfs/dbraw/zinc/92/92/83/342929283.db2.gz	HFCFJYRLBAANKN-UHFFFAOYSA-N	0	0	152.153	1.485	50	5	in-vitro	ADBARN
NC(=S)Cc1ccc([N+](=O)[O-])cc1	159774	342929757	/nfs/dbraw/zinc/92/97/57/342929757.db2.gz	NTDKSXYIORROEJ-UHFFFAOYSA-N	0	0	196.231	1.423	50	5	in-vitro	ADBARN
Cc1nc2cc([N+](=O)[O-])ccc2n1C	173070	342931309	/nfs/dbraw/zinc/93/13/09/342931309.db2.gz	CRRGPIBVQLNTRN-UHFFFAOYSA-N	0	0	191.190	1.790	50	5		ADBARN
C[N+](C)(C)c1cccc(C(=O)[O-])c1	301413	342933281	/nfs/dbraw/zinc/93/32/81/342933281.db2.gz	PNXKNGBNZNQGRZ-UHFFFAOYSA-O	0	0	180.227	1.582	50	5		ADBARN
Cc1cc([N+](=O)[O-])cc(N)c1C	337312	342934474	/nfs/dbraw/zinc/93/44/74/342934474.db2.gz	RSRLXRIHUGVPDS-UHFFFAOYSA-N	0	0	166.180	1.794	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])ccn1	332953	342933505	/nfs/dbraw/zinc/93/35/05/342933505.db2.gz	HWPIDHRDNNZJSY-UHFFFAOYSA-N	0	0	138.126	1.298	50	5	in-vitro	ADBARN
CCC(=O)Nc1cccc([N+](=O)[O-])c1	485163	342939918	/nfs/dbraw/zinc/93/99/18/342939918.db2.gz	KJYLJFHUBHZCKT-UHFFFAOYSA-N	0	0	194.190	1.943	50	5	in-vitro	ADBARN
C[C@H](C(N)=O)c1ccc([N+](=O)[O-])cc1	579953	342941276	/nfs/dbraw/zinc/94/12/76/342941276.db2.gz	RZSOHJGEQPWDSC-LURJTMIESA-N	0	0	194.190	1.184	50	5		ADBARN
Cc1nc2cc([N+](=O)[O-])ccc2[nH]1	1512399	342946130	/nfs/dbraw/zinc/94/61/30/342946130.db2.gz	RKRXTVLCZDPERO-UHFFFAOYSA-N	0	0	177.163	1.780	50	5		ADBARN
Cc1ccc2nc[nH]c2c1[N+](=O)[O-]	1505872	342946207	/nfs/dbraw/zinc/94/62/07/342946207.db2.gz	ZEVSEZPXSDDVOX-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	1532113	342946647	/nfs/dbraw/zinc/94/66/47/342946647.db2.gz	XTRDKALNCIHHNI-UHFFFAOYSA-N	0	0	182.135	1.811	50	5	in-vitro	ADBARN
Nc1ccc(Cl)c([N+](=O)[O-])c1	1670001	342955960	/nfs/dbraw/zinc/95/59/60/342955960.db2.gz	FOHHWGVAOVDVLP-UHFFFAOYSA-N	0	0	172.571	1.830	50	5		ADBARN
C[C@H]([C@H](O)c1ccccc1)[N+](=O)[O-]	1733934	342962985	/nfs/dbraw/zinc/96/29/85/342962985.db2.gz	JGYVPZIKTZGAAD-APPZFPTMSA-N	0	0	181.191	1.385	50	5		ADBARN
CCn1nc(C)cc1[N+](=O)[O-]	2538915	342975415	/nfs/dbraw/zinc/97/54/15/342975415.db2.gz	SCZYYPCEGOVBBU-UHFFFAOYSA-N	0	0	155.157	1.120	50	5		ADBARN
CCn1nc([N+](=O)[O-])cc1C	2538891	342975467	/nfs/dbraw/zinc/97/54/67/342975467.db2.gz	RGIIPEUVPVNVHB-UHFFFAOYSA-N	0	0	155.157	1.120	50	5	in-vitro	ADBARN
CNC(=O)Nc1cccc([N+](=O)[O-])c1	2164766	342970495	/nfs/dbraw/zinc/97/04/95/342970495.db2.gz	VAKORNMFQJLMTJ-UHFFFAOYSA-N	0	0	195.178	1.346	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])c(Cl)n1	4284288	342990144	/nfs/dbraw/zinc/99/01/44/342990144.db2.gz	UIEVSGOVFXWCIK-UHFFFAOYSA-N	0	0	172.571	1.952	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	4522885	342992198	/nfs/dbraw/zinc/99/21/98/342992198.db2.gz	INYDMNPNDHRJQJ-UHFFFAOYSA-N	0	0	182.135	1.811	50	5		ADBARN
Cc1nc([N+](=O)[O-])c(Cl)[nH]1	4632347	342993654	/nfs/dbraw/zinc/99/36/54/342993654.db2.gz	WSJHGVJXBGICMM-UHFFFAOYSA-N	0	0	161.548	1.280	50	5		ADBARN
CN(CCO)c1ccc([N+](=O)[O-])cc1	4774766	342995458	/nfs/dbraw/zinc/99/54/58/342995458.db2.gz	BWUZCAZXFREZFN-UHFFFAOYSA-N	0	0	196.206	1.023	50	5	in-vitro	ADBARN
Cc1ccsc1[N+](=O)[O-]	4831057	342996130	/nfs/dbraw/zinc/99/61/30/342996130.db2.gz	RUYLULWJGCGKEV-UHFFFAOYSA-N	0	0	143.167	1.965	50	5	in-vitro	ADBARN
Cc1[nH]nc(N2CCCC2)c1[N+](=O)[O-]	4322542	342990468	/nfs/dbraw/zinc/99/04/68/342990468.db2.gz	WLMIXDJYWMHOJU-UHFFFAOYSA-N	0	0	196.210	1.227	50	5		ADBARN
Cc1cccc(N)c1[N+](=O)[O-]	5420130	343002394	/nfs/dbraw/zinc/00/23/94/343002394.db2.gz	VDCZKCIEXGXCDJ-UHFFFAOYSA-N	0	0	152.153	1.485	50	5	in-vitro	ADBARN
CCn1nc([N+](=O)[O-])cc1C1CC1	12397793	343030074	/nfs/dbraw/zinc/03/00/74/343030074.db2.gz	JVYBTGLJGBEPRC-UHFFFAOYSA-N	0	0	181.195	1.689	50	5		ADBARN
Cc1cnc(F)c([N+](=O)[O-])c1	14982834	343040701	/nfs/dbraw/zinc/04/07/01/343040701.db2.gz	MASVTBZQAKGYJA-UHFFFAOYSA-N	0	0	156.116	1.437	50	5	in-vitro	ADBARN
Cc1c(N)cc(F)cc1[N+](=O)[O-]	14985570	343040956	/nfs/dbraw/zinc/04/09/56/343040956.db2.gz	XWXBFFACZMFPHH-UHFFFAOYSA-N	0	0	170.143	1.625	50	5	in-vitro	ADBARN
CN(C)c1ncccc1[N+](=O)[O-]	19738645	343060039	/nfs/dbraw/zinc/06/00/39/343060039.db2.gz	HOESCRDIWBIVCL-UHFFFAOYSA-N	0	0	167.168	1.056	50	5	in-vitro	ADBARN
Cc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-]	20178643	343068653	/nfs/dbraw/zinc/06/86/53/343068653.db2.gz	IPZGIHJVJJXQIK-UHFFFAOYSA-N	0	0	193.162	1.073	50	5		ADBARN
Cc1ccc([C@H](C)O)cc1[N+](=O)[O-]	35598605	343133360	/nfs/dbraw/zinc/13/33/60/343133360.db2.gz	AFEJLWMIIDXXMN-ZETCQYMHSA-N	0	0	181.191	1.957	50	5	in-vitro	ADBARN
CNC(=O)c1cc([N+](=O)[O-])ccc1F	37285945	343165505	/nfs/dbraw/zinc/16/55/05/343165505.db2.gz	IGSVAMSQRNPSRN-UHFFFAOYSA-N	0	0	198.153	1.094	50	5	in-vitro	ADBARN
O=c1ccc2cccc([N+](=O)[O-])c2o1	38234872	343186031	/nfs/dbraw/zinc/18/60/31/343186031.db2.gz	NEFVDPLSCGEBHY-UHFFFAOYSA-N	0	0	191.142	1.701	50	5		ADBARN
CCn1cc2cc([N+](=O)[O-])ccc2n1	38283389	343186499	/nfs/dbraw/zinc/18/64/99/343186499.db2.gz	USHQCKGUIXULLT-UHFFFAOYSA-N	0	0	191.190	1.964	50	5		ADBARN
Cc1nc2ccccn2c1[N+](=O)[O-]	39209288	343206127	/nfs/dbraw/zinc/20/61/27/343206127.db2.gz	LVRXPSDDBLDBJT-UHFFFAOYSA-N	0	0	177.163	1.551	50	5	in-vitro	ADBARN
Cc1c([N+](=O)[O-])cnn1C(F)F	47474199	343273132	/nfs/dbraw/zinc/27/31/32/343273132.db2.gz	NIQNPHKUUJSOPJ-UHFFFAOYSA-N	0	0	177.110	1.495	50	5		ADBARN
CN(C)/C=C/c1ncccc1[N+](=O)[O-]	71257750	343552011	/nfs/dbraw/zinc/55/20/11/343552011.db2.gz	RQSUTXCBSMADJU-FNORWQNLSA-N	0	0	193.206	1.522	50	5		ADBARN
Cc1cc([N+](=O)[O-])nn1C(F)F	72209436	343563117	/nfs/dbraw/zinc/56/31/17/343563117.db2.gz	JXXNIUKGXITULT-UHFFFAOYSA-N	0	0	177.110	1.495	50	5		ADBARN
Cc1c([N+](=O)[O-])cnn1C(C)C	72334121	343569115	/nfs/dbraw/zinc/56/91/15/343569115.db2.gz	MNMIJAHMNKFLID-UHFFFAOYSA-N	0	0	169.184	1.681	50	5		ADBARN
Cc1c([N+](=O)[O-])cnc2[nH]ccc12	76601829	343580177	/nfs/dbraw/zinc/58/01/77/343580177.db2.gz	DKIWXSVJMQWOMH-UHFFFAOYSA-N	0	0	177.163	1.780	50	5		ADBARN
C[C@H]1CNc2ccc([N+](=O)[O-])cc2O1	83254229	343617050	/nfs/dbraw/zinc/61/70/50/343617050.db2.gz	XGQMNDZPLBYYTB-LURJTMIESA-N	0	0	194.190	1.788	50	5		ADBARN
Cc1c([N+](=O)[O-])ccc2c[nH]nc12	89200463	343672913	/nfs/dbraw/zinc/67/29/13/343672913.db2.gz	YKHCFVZVZBXQBH-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
CCn1ncc2cc([N+](=O)[O-])ccc21	90459771	343675795	/nfs/dbraw/zinc/67/57/95/343675795.db2.gz	OMCQGSFMKUKHLW-UHFFFAOYSA-N	0	0	191.190	1.964	50	5		ADBARN
Cc1ccc([N+](=O)[O-])c2c1CCN2	95496165	343683904	/nfs/dbraw/zinc/68/39/04/343683904.db2.gz	SCFZFJRSCMUKHY-UHFFFAOYSA-N	0	0	178.191	1.871	50	5		ADBARN
Cc1ncc([N+](=O)[O-])cc1O	95627155	343684368	/nfs/dbraw/zinc/68/43/68/343684368.db2.gz	DKODSKBRWBZZOS-UHFFFAOYSA-N	0	0	154.125	1.004	50	5		ADBARN
CCc1ncccc1[N+](=O)[O-]	95635088	343684942	/nfs/dbraw/zinc/68/49/42/343684942.db2.gz	YXEDTXYNYNFZTM-UHFFFAOYSA-N	0	0	152.153	1.552	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])cc2c1CCN2	95670339	343685465	/nfs/dbraw/zinc/68/54/65/343685465.db2.gz	OTFXHUNYBBEOEL-UHFFFAOYSA-N	0	0	178.191	1.871	50	5		ADBARN
Cc1cc(N)c([N+](=O)[O-])c(Cl)n1	95642500	343685519	/nfs/dbraw/zinc/68/55/19/343685519.db2.gz	UZQYVROLXILHKH-UHFFFAOYSA-N	0	0	187.586	1.534	50	5	in-vitro	ADBARN
C/C(=C/c1ccco1)[N+](=O)[O-]	1668236	166049637	/nfs/dbraw/zinc/04/96/37/166049637.db2.gz	ZJQJRPWHHXBVQO-WAYWQWQTSA-N	0	0	153.137	1.917	50	5		ADBARN
C/C(=C\c1ccco1)[N+](=O)[O-]	4777940	166052135	/nfs/dbraw/zinc/05/21/35/166052135.db2.gz	ZJQJRPWHHXBVQO-AATRIKPKSA-N	0	0	153.137	1.917	50	5		ADBARN
C=CC(=O)Nc1ccccc1[N+](=O)[O-]	34133700	166158785	/nfs/dbraw/zinc/15/87/85/166158785.db2.gz	OODUHVPBMHKUKK-UHFFFAOYSA-N	0	0	192.174	1.719	50	5	in-vitro	ADBARN
C=CC(=O)Nc1ccc([N+](=O)[O-])cc1	5192746	166159354	/nfs/dbraw/zinc/15/93/54/166159354.db2.gz	DFKKBOJXPCXEGX-UHFFFAOYSA-N	0	0	192.174	1.719	50	5		ADBARN
C=CC(=O)Nc1cccc([N+](=O)[O-])c1	36334296	166159971	/nfs/dbraw/zinc/15/99/71/166159971.db2.gz	PJASPDPXLKIZHB-UHFFFAOYSA-N	0	0	192.174	1.719	50	5	in-vitro	ADBARN
C=Cc1ccc([N+](=O)[O-])nc1	39051650	166223262	/nfs/dbraw/zinc/22/32/62/166223262.db2.gz	YTCBXYKWOQWDLZ-UHFFFAOYSA-N	0	0	150.137	1.633	50	5		ADBARN
C=Cc1ccncc1[N+](=O)[O-]	95804010	166224750	/nfs/dbraw/zinc/22/47/50/166224750.db2.gz	YRXNBXKULPZPSM-UHFFFAOYSA-N	0	0	150.137	1.633	50	5		ADBARN
CC(=O)CC(C)(C)C[N+](=O)[O-]	2167994	166239251	/nfs/dbraw/zinc/23/92/51/166239251.db2.gz	HKYNUYYAUZSEKP-UHFFFAOYSA-N	0	0	159.185	1.268	50	5	in-vitro	ADBARN
CC(=O)COc1ccc([N+](=O)[O-])cc1	1745726	166245770	/nfs/dbraw/zinc/24/57/70/166245770.db2.gz	BTPOVNGEGQQHIV-UHFFFAOYSA-N	0	0	195.174	1.563	50	5		ADBARN
CC(=O)COc1ccccc1[N+](=O)[O-]	168634	166246066	/nfs/dbraw/zinc/24/60/66/166246066.db2.gz	PYVMIAYOZLGBQM-UHFFFAOYSA-N	0	0	195.174	1.563	50	5		ADBARN
CC(=O)Cc1ccc(F)cc1[N+](=O)[O-]	38212725	166246773	/nfs/dbraw/zinc/24/67/73/166246773.db2.gz	ZUSSYVUYWCVGHV-UHFFFAOYSA-N	0	0	197.165	1.865	50	5		ADBARN
CC(=O)Cc1cc(F)ccc1[N+](=O)[O-]	63023035	166247055	/nfs/dbraw/zinc/24/70/55/166247055.db2.gz	BMCKPBAHCMQWPA-UHFFFAOYSA-N	0	0	197.165	1.865	50	5		ADBARN
CC(=O)Cc1ccc([N+](=O)[O-])cc1	1596350	166248026	/nfs/dbraw/zinc/24/80/26/166248026.db2.gz	GEWWCWZGHNIUBW-UHFFFAOYSA-N	0	0	179.175	1.726	50	5		ADBARN
CC(=O)Cc1ccccc1[N+](=O)[O-]	2518682	166249716	/nfs/dbraw/zinc/24/97/16/166249716.db2.gz	VBJUDFZTSGSTGO-UHFFFAOYSA-N	0	0	179.175	1.726	50	5	in-vitro	ADBARN
CC(=O)Cc1cccc([N+](=O)[O-])c1	2518683	166249754	/nfs/dbraw/zinc/24/97/54/166249754.db2.gz	TYFVYHHUWTVZTM-UHFFFAOYSA-N	0	0	179.175	1.726	50	5		ADBARN
CC(=O)N(C)c1ccccc1[N+](=O)[O-]	4107439	166252471	/nfs/dbraw/zinc/25/24/71/166252471.db2.gz	KYRBLTADDMVJTF-UHFFFAOYSA-N	0	0	194.190	1.578	50	5		ADBARN
CC(=O)N(C)c1cccc([N+](=O)[O-])c1	39848	166252636	/nfs/dbraw/zinc/25/26/36/166252636.db2.gz	URTKKUOKOMUICY-UHFFFAOYSA-N	0	0	194.190	1.578	50	5	in-vitro	ADBARN
CC(=O)N(C)c1ccc([N+](=O)[O-])cc1	4257567	166253195	/nfs/dbraw/zinc/25/31/95/166253195.db2.gz	DKZFYTVXALXRSH-UHFFFAOYSA-N	0	0	194.190	1.578	50	5	in-vitro	ADBARN
CC(=O)NCc1ccc([N+](=O)[O-])cc1	1753294	166273822	/nfs/dbraw/zinc/27/38/22/166273822.db2.gz	ZMQPYUAJBGXGCB-UHFFFAOYSA-N	0	0	194.190	1.231	50	5		ADBARN
CC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	4261991	166284001	/nfs/dbraw/zinc/28/40/01/166284001.db2.gz	UZBZEUCQENVPQB-UHFFFAOYSA-N	0	0	198.153	1.692	50	5	in-vitro	ADBARN
CC(=O)Nc1ccc(O)cc1[N+](=O)[O-]	5698911	166284065	/nfs/dbraw/zinc/28/40/65/166284065.db2.gz	OZZKMZSOGAOIFX-UHFFFAOYSA-N	0	0	196.162	1.259	50	5	in-vitro	ADBARN
CC(=O)Nc1ccc(C)cc1[N+](=O)[O-]	4014521	166284076	/nfs/dbraw/zinc/28/40/76/166284076.db2.gz	LQZGUJSFLJIJKA-UHFFFAOYSA-N	0	0	194.190	1.862	50	5	in-vitro	ADBARN
CC(=O)Nc1ccc([N+](=O)[O-])cc1C	4013126	166284089	/nfs/dbraw/zinc/28/40/89/166284089.db2.gz	JZEOVPGWIWSSAK-UHFFFAOYSA-N	0	0	194.190	1.862	50	5		ADBARN
CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	1595334	166284100	/nfs/dbraw/zinc/28/41/00/166284100.db2.gz	KLHCAOSRFFAKQV-UHFFFAOYSA-N	0	0	198.153	1.692	50	5		ADBARN
CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	28222	166284101	/nfs/dbraw/zinc/28/41/01/166284101.db2.gz	XYTSBFSNPUGBIH-UHFFFAOYSA-N	0	0	194.190	1.862	50	5	in-vitro	ADBARN
CC(=O)Nc1ccc([N+](=O)[O-])c(N)c1	4115602	166284102	/nfs/dbraw/zinc/28/41/02/166284102.db2.gz	GUHZWZZDULRGIC-UHFFFAOYSA-N	0	0	195.178	1.135	50	5		ADBARN
CC(=O)Nc1ccc([N+](=O)[O-])cc1	16321384	166284110	/nfs/dbraw/zinc/28/41/10/166284110.db2.gz	NQRLPDFELNCFHW-UHFFFAOYSA-N	0	0	180.163	1.553	50	5		ADBARN
CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1	5019306	166284321	/nfs/dbraw/zinc/28/43/21/166284321.db2.gz	HTOMFNRBNSBPIU-UHFFFAOYSA-N	0	0	194.190	1.862	50	5	in-vitro	ADBARN
CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1	3852490	166284354	/nfs/dbraw/zinc/28/43/54/166284354.db2.gz	SIJMRGBYPYIMDJ-UHFFFAOYSA-N	0	0	198.153	1.692	50	5		ADBARN
CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1	4530120	166284439	/nfs/dbraw/zinc/28/44/39/166284439.db2.gz	MGVDUDAXURKVCE-UHFFFAOYSA-N	0	0	195.178	1.135	50	5	in-vitro	ADBARN
CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1	4772923	166284598	/nfs/dbraw/zinc/28/45/98/166284598.db2.gz	APOWIBWCHFFTST-UHFFFAOYSA-N	0	0	195.178	1.257	50	5		ADBARN
CC(=O)Nc1ccc([N+](=O)[O-])cc1F	4760465	166284646	/nfs/dbraw/zinc/28/46/46/166284646.db2.gz	KFSFGCHQQCRZBB-UHFFFAOYSA-N	0	0	198.153	1.692	50	5		ADBARN
CC(=O)Nc1nccc(C)c1[N+](=O)[O-]	44831386	166285309	/nfs/dbraw/zinc/28/53/09/166285309.db2.gz	GUFBUIQPFAKZPM-UHFFFAOYSA-N	0	0	195.178	1.257	50	5	in-vitro	ADBARN
CC(=O)Nc1nc([N+](=O)[O-])cs1	5257305	166286681	/nfs/dbraw/zinc/28/66/81/166286681.db2.gz	QZDANEMTTUPLOA-UHFFFAOYSA-N	0	0	187.180	1.010	50	5		ADBARN
CC(=O)Nc1ncc([N+](=O)[O-])cc1C	4772927	166286756	/nfs/dbraw/zinc/28/67/56/166286756.db2.gz	DDWBNJSUMJDNKC-UHFFFAOYSA-N	0	0	195.178	1.257	50	5		ADBARN
CC(=O)Nc1sccc1[N+](=O)[O-]	4350200	166286778	/nfs/dbraw/zinc/28/67/78/166286778.db2.gz	GWQLZDCTAHQTTL-UHFFFAOYSA-N	0	0	186.192	1.615	50	5		ADBARN
CC(=O)Nc1ncc([N+](=O)[O-])s1	3875912	166286881	/nfs/dbraw/zinc/28/68/81/166286881.db2.gz	UJRRDDHEMZLWFI-UHFFFAOYSA-N	0	0	187.180	1.010	50	5	in-man	ADBARN
CC(=O)Nc1ccccc1[N+](=O)[O-]	3958740	166287061	/nfs/dbraw/zinc/28/70/61/166287061.db2.gz	BUNFNRVLMKHKIT-UHFFFAOYSA-N	0	0	180.163	1.553	50	5		ADBARN
CC(=O)OCc1ccc([N+](=O)[O-])cc1	347490	166288170	/nfs/dbraw/zinc/28/81/70/166288170.db2.gz	QNXQLPUEZYZYFC-UHFFFAOYSA-N	0	0	195.174	1.658	50	5		ADBARN
CC(=O)OCc1ncccc1[N+](=O)[O-]	98213545	166288214	/nfs/dbraw/zinc/28/82/14/166288214.db2.gz	ZIYJPXZUYGNNFD-UHFFFAOYSA-N	0	0	196.162	1.053	50	5		ADBARN
CC(=O)OCc1cccc([N+](=O)[O-])c1	5166232	166289308	/nfs/dbraw/zinc/28/93/08/166289308.db2.gz	WNVPZUAAKWXDNS-UHFFFAOYSA-N	0	0	195.174	1.658	50	5		ADBARN
CC(=O)Oc1c(C)cccc1[N+](=O)[O-]	1562019	166293125	/nfs/dbraw/zinc/29/31/25/166293125.db2.gz	RAAYZDPCLHVVNY-UHFFFAOYSA-N	0	0	195.174	1.829	50	5		ADBARN
CC(=O)Oc1ccccc1[N+](=O)[O-]	486583	166295118	/nfs/dbraw/zinc/29/51/18/166295118.db2.gz	MRCKRGSNLOHYRA-UHFFFAOYSA-N	0	0	181.147	1.520	50	5		ADBARN
CC(=O)Oc1cccc([N+](=O)[O-])c1C	2173108	166295419	/nfs/dbraw/zinc/29/54/19/166295419.db2.gz	XNCSIGUBDMDNJZ-UHFFFAOYSA-N	0	0	195.174	1.829	50	5		ADBARN
CC(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1	9426700	166298377	/nfs/dbraw/zinc/29/83/77/166298377.db2.gz	XUYUKRNZHMMHIT-LURJTMIESA-N	0	0	197.194	1.016	50	5		ADBARN
CC(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1	9426701	166307391	/nfs/dbraw/zinc/30/73/91/166307391.db2.gz	XUYUKRNZHMMHIT-ZCFIWIBFSA-N	0	0	197.194	1.016	50	5		ADBARN
CC(=O)c1c(F)cccc1[N+](=O)[O-]	95930416	166315366	/nfs/dbraw/zinc/31/53/66/166315366.db2.gz	QWPQRRQXWHRCME-UHFFFAOYSA-N	0	0	183.138	1.937	50	5		ADBARN
CC(=O)c1cc(N)ccc1[N+](=O)[O-]	19798754	166318552	/nfs/dbraw/zinc/31/85/52/166318552.db2.gz	OZXKGJXFDISTBG-UHFFFAOYSA-N	0	0	180.163	1.380	50	5	in-vitro	ADBARN
CC(=O)c1cc(F)ccc1[N+](=O)[O-]	21298671	166319535	/nfs/dbraw/zinc/31/95/35/166319535.db2.gz	VPAGKEZJDCSVOW-UHFFFAOYSA-N	0	0	183.138	1.937	50	5	in-vitro	ADBARN
CC(=O)c1cc(N)c(C)cc1[N+](=O)[O-]	5212238	166320675	/nfs/dbraw/zinc/32/06/75/166320675.db2.gz	RRABUPVOQKOEGY-UHFFFAOYSA-N	0	0	194.190	1.688	50	5		ADBARN
CC(=O)c1cc([N+](=O)[O-])ccc1N	39947673	166321891	/nfs/dbraw/zinc/32/18/91/166321891.db2.gz	WYSBWHYLQMVOOL-UHFFFAOYSA-N	0	0	180.163	1.380	50	5	in-vitro	ADBARN
CC(=O)c1cc([N+](=O)[O-])cs1	173954	166322555	/nfs/dbraw/zinc/32/25/55/166322555.db2.gz	MURKVQAOBMRVGL-UHFFFAOYSA-N	0	0	171.177	1.859	50	5	in-vitro	ADBARN
CC(=O)c1cc([N+](=O)[O-])ccc1F	163314	166322749	/nfs/dbraw/zinc/32/27/49/166322749.db2.gz	BCXOSCQTHVTUET-UHFFFAOYSA-N	0	0	183.138	1.937	50	5	in-vitro	ADBARN
CC(=O)c1ccc(C)c(N)c1[N+](=O)[O-]	5212448	166322982	/nfs/dbraw/zinc/32/29/82/166322982.db2.gz	PXONAVDIAVBUFL-UHFFFAOYSA-N	0	0	194.190	1.688	50	5		ADBARN
CC(=O)c1ccc(F)c([N+](=O)[O-])c1	2577568	166323597	/nfs/dbraw/zinc/32/35/97/166323597.db2.gz	PTCNZDJJIOLIKQ-UHFFFAOYSA-N	0	0	183.138	1.937	50	5	in-vitro	ADBARN
CC(=O)c1ccc(N)c([N+](=O)[O-])c1	35874423	166323638	/nfs/dbraw/zinc/32/36/38/166323638.db2.gz	VEIXVSPCPGWULB-UHFFFAOYSA-N	0	0	180.163	1.380	50	5	in-vitro	ADBARN
CC(=O)c1ccc([N+](=O)[O-])cc1O	2559134	166324011	/nfs/dbraw/zinc/32/40/11/166324011.db2.gz	MBWXEEAWDJCUKX-UHFFFAOYSA-N	0	0	181.147	1.503	50	5		ADBARN
CC(=O)c1ccc([N+](=O)[O-])o1	334121	166324271	/nfs/dbraw/zinc/32/42/71/166324271.db2.gz	ORQQKSZUXNAWAX-UHFFFAOYSA-N	0	0	155.109	1.390	50	5		ADBARN
CC(=O)c1ccc([N+](=O)[O-])cc1	164801	166324381	/nfs/dbraw/zinc/32/43/81/166324381.db2.gz	YQYGPGKTNQNXMH-UHFFFAOYSA-N	0	0	165.148	1.797	50	5	in-vitro	ADBARN
CC(=O)c1ccc(F)cc1[N+](=O)[O-]	95348205	166325310	/nfs/dbraw/zinc/32/53/10/166325310.db2.gz	FWVAEFFNYPYLFH-UHFFFAOYSA-N	0	0	183.138	1.937	50	5	in-vitro	ADBARN
CC(=O)c1ccc([N+](=O)[O-])cc1N	4240516	166325463	/nfs/dbraw/zinc/32/54/63/166325463.db2.gz	DCOHKZQTKLIIGK-UHFFFAOYSA-N	0	0	180.163	1.380	50	5	in-vitro	ADBARN
CC(=O)c1ccc([N+](=O)[O-])c(F)c1	80815645	166325947	/nfs/dbraw/zinc/32/59/47/166325947.db2.gz	UHAATBAYLFRWMR-UHFFFAOYSA-N	0	0	183.138	1.937	50	5	in-vitro	ADBARN
CC(=O)c1ccc([N+](=O)[O-])cc1F	35986316	166326174	/nfs/dbraw/zinc/32/61/74/166326174.db2.gz	LBEGSSDPGNYHQI-UHFFFAOYSA-N	0	0	183.138	1.937	50	5	in-vitro	ADBARN
CC(=O)c1ccc([N+](=O)[O-])cn1	71614179	166326217	/nfs/dbraw/zinc/32/62/17/166326217.db2.gz	QTGKFJUCQAYIRK-UHFFFAOYSA-N	0	0	166.136	1.192	50	5		ADBARN
CC(=O)c1ccc([N+](=O)[O-])s1	85317	166326240	/nfs/dbraw/zinc/32/62/40/166326240.db2.gz	CMXUIQITENCDHH-UHFFFAOYSA-N	0	0	171.177	1.859	50	5	in-vitro	ADBARN
CC(=O)c1cccc(N)c1[N+](=O)[O-]	39617555	166327271	/nfs/dbraw/zinc/32/72/71/166327271.db2.gz	SZKDXWIWZZKYTG-UHFFFAOYSA-N	0	0	180.163	1.380	50	5		ADBARN
CC(=O)c1cccc(F)c1[N+](=O)[O-]	95080252	166327609	/nfs/dbraw/zinc/32/76/09/166327609.db2.gz	ODSQROMIUYXEMK-UHFFFAOYSA-N	0	0	183.138	1.937	50	5		ADBARN
CC(=O)c1cccc([N+](=O)[O-])c1	148003	166328565	/nfs/dbraw/zinc/32/85/65/166328565.db2.gz	ARKIFHPFTHVKDT-UHFFFAOYSA-N	0	0	165.148	1.797	50	5		ADBARN
CC(=O)c1cccc([N+](=O)[O-])c1F	91692990	166328584	/nfs/dbraw/zinc/32/85/84/166328584.db2.gz	FMRFQXVFOFXBLH-UHFFFAOYSA-N	0	0	183.138	1.937	50	5	in-vitro	ADBARN
CC(=O)c1ccccc1[N+](=O)[O-]	1666914	166329472	/nfs/dbraw/zinc/32/94/72/166329472.db2.gz	SUGXZLKUDLDTKX-UHFFFAOYSA-N	0	0	165.148	1.797	50	5	in-vitro	ADBARN
CC(=O)c1ccncc1[N+](=O)[O-]	2525019	166329848	/nfs/dbraw/zinc/32/98/48/166329848.db2.gz	WJBPEUKZXRFJDM-UHFFFAOYSA-N	0	0	166.136	1.192	50	5		ADBARN
CC(=O)c1ncc(C)cc1[N+](=O)[O-]	95631118	166335997	/nfs/dbraw/zinc/33/59/97/166335997.db2.gz	QMLOSTIUYSOGEK-UHFFFAOYSA-N	0	0	180.163	1.501	50	5	in-vitro	ADBARN
CC(=O)c1ncccc1[N+](=O)[O-]	39071987	166336018	/nfs/dbraw/zinc/33/60/18/166336018.db2.gz	UOSQCJBQCZOILA-UHFFFAOYSA-N	0	0	166.136	1.192	50	5		ADBARN
CC(C)(Br)[N+](=O)[O-]	1758988	166337983	/nfs/dbraw/zinc/33/79/83/166337983.db2.gz	OADSZWXMXIWZSQ-UHFFFAOYSA-N	0	0	167.990	1.394	50	5		ADBARN
CC(=O)n1nc(C)c([N+](=O)[O-])c1C	2744775	166338770	/nfs/dbraw/zinc/33/87/70/166338770.db2.gz	LZWZEPXLZCUCNB-UHFFFAOYSA-N	0	0	183.167	1.068	50	5		ADBARN
CC(C)(C)[N+](=O)[O-]	1666930	166380783	/nfs/dbraw/zinc/38/07/83/166380783.db2.gz	AIMREYQYBFBEGQ-UHFFFAOYSA-N	0	0	103.121	1.062	50	5		ADBARN
CC(C)(C)c1n[nH]cc1[N+](=O)[O-]	13545354	166387469	/nfs/dbraw/zinc/38/74/69/166387469.db2.gz	ZGZXLSKQZBZQOF-UHFFFAOYSA-N	0	0	169.184	1.615	50	5	in-vitro	ADBARN
CC(C)(CCC1OCCO1)[N+](=O)[O-]	155920	166392006	/nfs/dbraw/zinc/39/20/06/166392006.db2.gz	ONLCLPRCWSOGPM-UHFFFAOYSA-N	0	0	189.211	1.195	50	5		ADBARN
CC(C)(C)n1cc([N+](=O)[O-])cn1	44154478	166392050	/nfs/dbraw/zinc/39/20/50/166392050.db2.gz	FPKZTRHYFSEGRN-UHFFFAOYSA-N	0	0	169.184	1.546	50	5		ADBARN
CC(C)([N+](=O)[O-])C(C)(C)[N+](=O)[O-]	1587891	166412600	/nfs/dbraw/zinc/41/26/00/166412600.db2.gz	DWCLXOREGBLXTD-UHFFFAOYSA-N	0	0	176.172	1.097	50	5	in-vitro	ADBARN
CC(C)CCn1nccc1[N+](=O)[O-]	261493850	166454765	/nfs/dbraw/zinc/45/47/65/166454765.db2.gz	KRQOMEMDUVOOAN-UHFFFAOYSA-N	0	0	183.211	1.837	50	5		ADBARN
CC(C)Nc1c[n+]([O-])ccc1[N+](=O)[O-]	97673570	166550308	/nfs/dbraw/zinc/55/03/08/166550308.db2.gz	COMGVYUMXSTZDU-UHFFFAOYSA-N	0	0	197.194	1.049	50	5		ADBARN
CC(C)Oc1ccc([N+](=O)[O-])cn1	49002085	166561586	/nfs/dbraw/zinc/56/15/86/166561586.db2.gz	IPNGFHRHLNQRKO-UHFFFAOYSA-N	0	0	182.179	1.777	50	5		ADBARN
CC(C)Oc1ncccc1[N+](=O)[O-]	204780829	166564588	/nfs/dbraw/zinc/56/45/88/166564588.db2.gz	IIEBBISRDCADBW-UHFFFAOYSA-N	0	0	182.179	1.777	50	5		ADBARN
CC(C)n1cc([N+](=O)[O-])cn1	12398970	166651563	/nfs/dbraw/zinc/65/15/63/166651563.db2.gz	CBSSFOTWGVIHFX-UHFFFAOYSA-N	0	0	155.157	1.372	50	5	in-vitro	ADBARN
CCC(=O)CC[C@@H](C)[N+](=O)[O-]	95496172	166755378	/nfs/dbraw/zinc/75/53/78/166755378.db2.gz	ZYKAXLRSLQVORW-ZCFIWIBFSA-N	0	0	159.185	1.411	50	5		ADBARN
CCC(=O)Nc1ccc([N+](=O)[O-])cc1	5307381	166770459	/nfs/dbraw/zinc/77/04/59/166770459.db2.gz	XHHRFANWCYGWQW-UHFFFAOYSA-N	0	0	194.190	1.943	50	5	in-vitro	ADBARN
CCC(=O)c1cc([N+](=O)[O-])ccc1N	5010530	166775434	/nfs/dbraw/zinc/77/54/34/166775434.db2.gz	SLBZLHXBGDQMBQ-UHFFFAOYSA-N	0	0	194.190	1.770	50	5		ADBARN
CCCCNc1ncc([N+](=O)[O-])cn1	40454384	166902315	/nfs/dbraw/zinc/90/23/15/166902315.db2.gz	OKXWVOCJLPIICD-UHFFFAOYSA-N	0	0	196.210	1.597	50	5		ADBARN
CCCNc1ccc([N+](=O)[O-])cn1	19943223	167005963	/nfs/dbraw/zinc/00/59/63/167005963.db2.gz	KZWODZHPEMBNTR-UHFFFAOYSA-N	0	0	181.195	1.812	50	5	in-vitro	ADBARN
CCCNc1ccncc1[N+](=O)[O-]	20370159	167007509	/nfs/dbraw/zinc/00/75/09/167007509.db2.gz	WSXFBFCVDNKQEN-UHFFFAOYSA-N	0	0	181.195	1.812	50	5		ADBARN
CCCNc1ncccc1[N+](=O)[O-]	20021040	167008462	/nfs/dbraw/zinc/00/84/62/167008462.db2.gz	VMPHHWCBMJIVOQ-UHFFFAOYSA-N	0	0	181.195	1.812	50	5	in-vitro	ADBARN
CCCNc1ncc([N+](=O)[O-])cn1	40454305	167009116	/nfs/dbraw/zinc/00/91/16/167009116.db2.gz	FMBIBUMSRQQSDS-UHFFFAOYSA-N	0	0	182.183	1.207	50	5		ADBARN
CCCOc1ccc([N+](=O)[O-])c(N)c1	4115584	167018253	/nfs/dbraw/zinc/01/82/53/167018253.db2.gz	ZUSYPWKBRJWZIA-UHFFFAOYSA-N	0	0	196.206	1.966	50	5		ADBARN
CCCOc1ccc(N)c([N+](=O)[O-])c1	5193804	167018636	/nfs/dbraw/zinc/01/86/36/167018636.db2.gz	VUMCVANUWQZNGD-UHFFFAOYSA-N	0	0	196.206	1.966	50	5		ADBARN
CCCOc1ccc(N)cc1[N+](=O)[O-]	2028909	167018977	/nfs/dbraw/zinc/01/89/77/167018977.db2.gz	ZSUBWKSUEBTXOR-UHFFFAOYSA-N	0	0	196.206	1.966	50	5		ADBARN
CCCOc1ccc([N+](=O)[O-])cn1	137793173	167019767	/nfs/dbraw/zinc/01/97/67/167019767.db2.gz	OYWUTOSWVVDUJU-UHFFFAOYSA-N	0	0	182.179	1.779	50	5	in-vitro	ADBARN
CCCOc1cccc(N)c1[N+](=O)[O-]	4115587	167022284	/nfs/dbraw/zinc/02/22/84/167022284.db2.gz	DDLJUWNTNFDLNU-UHFFFAOYSA-N	0	0	196.206	1.966	50	5		ADBARN
CCCOc1ncccc1[N+](=O)[O-]	261494059	167022726	/nfs/dbraw/zinc/02/27/26/167022726.db2.gz	OUTURKKISSWOQZ-UHFFFAOYSA-N	0	0	182.179	1.779	50	5		ADBARN
CCC[C@@H](CCC(C)=O)[N+](=O)[O-]	2141667	167042369	/nfs/dbraw/zinc/04/23/69/167042369.db2.gz	PYDLGEHDOLTNOA-QMMMGPOBSA-N	0	0	173.212	1.801	50	5		ADBARN
CCC[C@H](CCC(C)=O)[N+](=O)[O-]	1595451	167075912	/nfs/dbraw/zinc/07/59/12/167075912.db2.gz	PYDLGEHDOLTNOA-MRVPVSSYSA-N	0	0	173.212	1.801	50	5		ADBARN
CCCc1n[nH]cc1[N+](=O)[O-]	4025455	167109919	/nfs/dbraw/zinc/10/99/19/167109919.db2.gz	VKMMELNDXKJOBY-UHFFFAOYSA-N	0	0	155.157	1.270	50	5		ADBARN
CCCn1c([N+](=O)[O-])cnc1C	34410667	167118630	/nfs/dbraw/zinc/11/86/30/167118630.db2.gz	GMTVTGSZZFRDSK-UHFFFAOYSA-N	0	0	169.184	1.510	50	5		ADBARN
CCCn1cc([N+](=O)[O-])cn1	12396699	167119997	/nfs/dbraw/zinc/11/99/97/167119997.db2.gz	NHCUMCWMHCBXRO-UHFFFAOYSA-N	0	0	155.157	1.201	50	5	in-vitro	ADBARN
CCCn1ccc([N+](=O)[O-])n1	12395739	167120458	/nfs/dbraw/zinc/12/04/58/167120458.db2.gz	BXOIIAJTJVXWAH-UHFFFAOYSA-N	0	0	155.157	1.201	50	5		ADBARN
CCCn1nc([N+](=O)[O-])cc1C	12396470	167122269	/nfs/dbraw/zinc/12/22/69/167122269.db2.gz	NHDZBRMEWXKZKH-UHFFFAOYSA-N	0	0	169.184	1.510	50	5		ADBARN
CCCn1nccc1[N+](=O)[O-]	12395737	167124150	/nfs/dbraw/zinc/12/41/50/167124150.db2.gz	DYVUOKAQZXKGML-UHFFFAOYSA-N	0	0	155.157	1.201	50	5		ADBARN
CCCn1ncc([N+](=O)[O-])c1Cl	95704791	167125839	/nfs/dbraw/zinc/12/58/39/167125839.db2.gz	FOPFCYXEOWILLE-UHFFFAOYSA-N	0	0	189.602	1.855	50	5		ADBARN
CCN(CC)c1c([N+](=O)[O-])ncn1C	4125316	167172884	/nfs/dbraw/zinc/17/28/84/167172884.db2.gz	BCWXBIAYORWTIG-UHFFFAOYSA-N	0	0	198.226	1.175	50	5		ADBARN
CCN(CC)c1ccc([N+](=O)[O-])cn1	19943831	167177589	/nfs/dbraw/zinc/17/75/89/167177589.db2.gz	IEVOYBLZTDQXSO-UHFFFAOYSA-N	0	0	195.222	1.836	50	5		ADBARN
CCN(CC)c1ncccc1[N+](=O)[O-]	308543297	167177739	/nfs/dbraw/zinc/17/77/39/167177739.db2.gz	ORYHESSEVBCYSP-UHFFFAOYSA-N	0	0	195.222	1.836	50	5		ADBARN
CCNC(=O)c1cccc([N+](=O)[O-])c1	5456599	167252233	/nfs/dbraw/zinc/25/22/33/167252233.db2.gz	MEHSMNJKCAVTNH-UHFFFAOYSA-N	0	0	194.190	1.345	50	5	in-vitro	ADBARN
CCNC(=O)c1ccc([N+](=O)[O-])cc1	1599502	167253958	/nfs/dbraw/zinc/25/39/58/167253958.db2.gz	RZUZNEBLPIHWAR-UHFFFAOYSA-N	0	0	194.190	1.345	50	5	in-vitro	ADBARN
CCNC(=O)c1ccccc1[N+](=O)[O-]	75519	167254325	/nfs/dbraw/zinc/25/43/25/167254325.db2.gz	MEUCVEVMNSNATL-UHFFFAOYSA-N	0	0	194.190	1.345	50	5		ADBARN
CCNc1ccc([N+](=O)[O-])cn1	19926285	167310927	/nfs/dbraw/zinc/31/09/27/167310927.db2.gz	XEGSKOYSJGIUCY-UHFFFAOYSA-N	0	0	167.168	1.422	50	5	in-vitro	ADBARN
CCNc1ccc([N+](=O)[O-])cc1N	4774237	167311114	/nfs/dbraw/zinc/31/11/14/167311114.db2.gz	PNDJSMFFLOHKTJ-UHFFFAOYSA-N	0	0	181.195	1.609	50	5		ADBARN
CCNc1ccncc1[N+](=O)[O-]	20370196	167311856	/nfs/dbraw/zinc/31/18/56/167311856.db2.gz	RFSOTSMANIOZPD-UHFFFAOYSA-N	0	0	167.168	1.422	50	5	in-vitro	ADBARN
CCNc1ncccc1[N+](=O)[O-]	21160883	167313361	/nfs/dbraw/zinc/31/33/61/167313361.db2.gz	DDBQQNCEHLMYGB-UHFFFAOYSA-N	0	0	167.168	1.422	50	5	in-vitro	ADBARN
CCNc1ncc(C)cc1[N+](=O)[O-]	39956533	167314790	/nfs/dbraw/zinc/31/47/90/167314790.db2.gz	CKFFJTNXAIVBEV-UHFFFAOYSA-N	0	0	181.195	1.730	50	5		ADBARN
CCOC(=O)c1cc([N+](=O)[O-])c[nH]1	1681945	167369616	/nfs/dbraw/zinc/36/96/16/167369616.db2.gz	PEORWHVRWXGKMS-UHFFFAOYSA-N	0	0	184.151	1.100	50	5	in-vitro	ADBARN
CCOC(=O)c1ccc([N+](=O)[O-])o1	78191	167371600	/nfs/dbraw/zinc/37/16/00/167371600.db2.gz	JMNXLAQKIHVFIC-UHFFFAOYSA-N	0	0	185.135	1.365	50	5		ADBARN
CCOC(=O)c1ccccc1[N+](=O)[O-]	157345	167371664	/nfs/dbraw/zinc/37/16/64/167371664.db2.gz	CPNMAYYYYSWTIV-UHFFFAOYSA-N	0	0	195.174	1.772	50	5	in-vitro	ADBARN
CCOC(=O)c1cccc([N+](=O)[O-])n1	39117029	167372309	/nfs/dbraw/zinc/37/23/09/167372309.db2.gz	YMYUJWRQRZRYSV-UHFFFAOYSA-N	0	0	196.162	1.167	50	5		ADBARN
CCOC(=O)c1ccc([N+](=O)[O-])cc1	1512541	167372328	/nfs/dbraw/zinc/37/23/28/167372328.db2.gz	PHWSCBWNPZDYRI-UHFFFAOYSA-N	0	0	195.174	1.772	50	5	in-vitro	ADBARN
CCOC(=O)c1cccc([N+](=O)[O-])c1	153287	167372679	/nfs/dbraw/zinc/37/26/79/167372679.db2.gz	MKBIJCPQTPFQKQ-UHFFFAOYSA-N	0	0	195.174	1.772	50	5		ADBARN
CCOC(=O)c1ccc([N+](=O)[O-])cn1	39117061	167372796	/nfs/dbraw/zinc/37/27/96/167372796.db2.gz	PZFHVUFNOKRFEC-UHFFFAOYSA-N	0	0	196.162	1.167	50	5		ADBARN
CCOC(=O)c1cncc([N+](=O)[O-])c1	95635212	167375935	/nfs/dbraw/zinc/37/59/35/167375935.db2.gz	DMCBVKXZBZVCTD-UHFFFAOYSA-N	0	0	196.162	1.167	50	5	in-vitro	ADBARN
CCOC(=O)c1ncccc1[N+](=O)[O-]	90470966	167378517	/nfs/dbraw/zinc/37/85/17/167378517.db2.gz	IBHCPBWFCRFRTR-UHFFFAOYSA-N	0	0	196.162	1.167	50	5	in-vitro	ADBARN
CCOc1ccc([N+](=O)[O-])c(F)n1	261494045	167421635	/nfs/dbraw/zinc/42/16/35/167421635.db2.gz	OMWILQWUXFOIBE-UHFFFAOYSA-N	0	0	186.142	1.528	50	5		ADBARN
CCOc1ccc([N+](=O)[O-])cc1N	345473	167422015	/nfs/dbraw/zinc/42/20/15/167422015.db2.gz	AMMPGYPPRLWMLW-UHFFFAOYSA-N	0	0	182.179	1.576	50	5	in-vitro	ADBARN
CCOc1ccc([N+](=O)[O-])cc1CO	20468413	167423337	/nfs/dbraw/zinc/42/33/37/167423337.db2.gz	JOOFPLFFIISCIY-UHFFFAOYSA-N	0	0	197.190	1.486	50	5	in-vitro	ADBARN
CCOc1ccccc1[N+](=O)[O-]	1686926	167428038	/nfs/dbraw/zinc/42/80/38/167428038.db2.gz	XGLGESCVNJSAQY-UHFFFAOYSA-N	0	0	167.164	1.994	50	5		ADBARN
CC[C@](C)([N+](=O)[O-])C(C)(C)[N+](=O)[O-]	3070204	167708363	/nfs/dbraw/zinc/70/83/63/167708363.db2.gz	IXKCCSQYPRNQNI-ZETCQYMHSA-N	0	0	190.199	1.487	50	5		ADBARN
CCc1ccc([N+](=O)[O-])cn1	4054152	167745505	/nfs/dbraw/zinc/74/55/05/167745505.db2.gz	VUTMOONWKQEUBX-UHFFFAOYSA-N	0	0	152.153	1.552	50	5		ADBARN
CCc1nn(C)c(Cl)c1[N+](=O)[O-]	85018528	167782117	/nfs/dbraw/zinc/78/21/17/167782117.db2.gz	AEMZISRFJQRMBE-UHFFFAOYSA-N	0	0	189.602	1.544	50	5	in-vitro	ADBARN
CCn1cc(Cl)c([N+](=O)[O-])n1	12395851	167800770	/nfs/dbraw/zinc/80/07/70/167800770.db2.gz	SBVDGHFCPWPZQO-UHFFFAOYSA-N	0	0	175.575	1.465	50	5		ADBARN
CCn1cc([N+](=O)[O-])nc1C	39522	167802710	/nfs/dbraw/zinc/80/27/10/167802710.db2.gz	AILAZDVPNOAKOA-UHFFFAOYSA-N	0	0	155.157	1.120	50	5		ADBARN
CCn1ncc([N+](=O)[O-])c1C	2537039	167809570	/nfs/dbraw/zinc/80/95/70/167809570.db2.gz	KSTMVJNKTKVOLS-UHFFFAOYSA-N	0	0	155.157	1.120	50	5		ADBARN
CCn1nc(C)c([N+](=O)[O-])c1C	4293946	167809592	/nfs/dbraw/zinc/80/95/92/167809592.db2.gz	JOFFXYAXIJPCIB-UHFFFAOYSA-N	0	0	169.184	1.428	50	5		ADBARN
CN(C)c1ccc(CO)cc1[N+](=O)[O-]	20468218	167855749	/nfs/dbraw/zinc/85/57/49/167855749.db2.gz	SMMCFHUGTZNWEN-UHFFFAOYSA-N	0	0	196.206	1.153	50	5	in-vitro	ADBARN
CN(C)c1ccc([N+](=O)[O-])cc1C=O	6226684	167855924	/nfs/dbraw/zinc/85/59/24/167855924.db2.gz	NBISLQQKJKDSRO-UHFFFAOYSA-N	0	0	194.190	1.473	50	5		ADBARN
CN(C)c1ccc(C=O)cc1[N+](=O)[O-]	3886038	167855979	/nfs/dbraw/zinc/85/59/79/167855979.db2.gz	BMMZDXZYHYBOOQ-UHFFFAOYSA-N	0	0	194.190	1.473	50	5	in-vitro	ADBARN
CN(C)c1ccc(F)cc1[N+](=O)[O-]	16159699	167857118	/nfs/dbraw/zinc/85/71/18/167857118.db2.gz	RGCUVPLVTHHXMT-UHFFFAOYSA-N	0	0	184.170	1.800	50	5	in-vitro	ADBARN
CN(C)c1ccc([N+](=O)[O-])cc1F	44185294	167857209	/nfs/dbraw/zinc/85/72/09/167857209.db2.gz	QTXUWCWOGLFTTP-UHFFFAOYSA-N	0	0	184.170	1.800	50	5	in-vitro	ADBARN
CN(C=O)c1ccccc1[N+](=O)[O-]	4018632	167863689	/nfs/dbraw/zinc/86/36/89/167863689.db2.gz	VUIXRQNLJPGACD-UHFFFAOYSA-N	0	0	180.163	1.187	50	5		ADBARN
CN(N=O)c1ccc([N+](=O)[O-])cc1	5319600	167891919	/nfs/dbraw/zinc/89/19/19/167891919.db2.gz	AMTRFSFECFPSHF-UHFFFAOYSA-N	0	0	181.151	1.712	50	5		ADBARN
CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	4115693	168062887	/nfs/dbraw/zinc/06/28/87/168062887.db2.gz	YEYQXUWULBDKHV-UHFFFAOYSA-N	0	0	197.150	1.545	50	5		ADBARN
CNc1c([N+](=O)[O-])ccc(F)c1F	34515938	168063555	/nfs/dbraw/zinc/06/35/55/168063555.db2.gz	QTMMIYSDZZPQFA-UHFFFAOYSA-N	0	0	188.133	1.915	50	5	in-vitro	ADBARN
CNc1c(F)cccc1[N+](=O)[O-]	83824171	168063633	/nfs/dbraw/zinc/06/36/33/168063633.db2.gz	WSXFKUQRBSITJO-UHFFFAOYSA-N	0	0	170.143	1.776	50	5		ADBARN
CNc1c(N)cccc1[N+](=O)[O-]	96331972	168063837	/nfs/dbraw/zinc/06/38/37/168063837.db2.gz	GPWMVJVLTXLNTK-UHFFFAOYSA-N	0	0	167.168	1.219	50	5		ADBARN
CNc1cc([N+](=O)[O-])ccc1OC	90641	168064662	/nfs/dbraw/zinc/06/46/62/168064662.db2.gz	NYXQGPQZKJOXJE-UHFFFAOYSA-N	0	0	182.179	1.645	50	5		ADBARN
CNc1cc([N+](=O)[O-])ccc1F	34193718	168064761	/nfs/dbraw/zinc/06/47/61/168064761.db2.gz	YWKHWTYJUYVMND-UHFFFAOYSA-N	0	0	170.143	1.776	50	5		ADBARN
CNc1cc(C)ccc1[N+](=O)[O-]	39133545	168064948	/nfs/dbraw/zinc/06/49/48/168064948.db2.gz	OZYNRMKNGCFDCP-UHFFFAOYSA-N	0	0	166.180	1.945	50	5		ADBARN
CNc1cc(CO)ccc1[N+](=O)[O-]	39185131	168065045	/nfs/dbraw/zinc/06/50/45/168065045.db2.gz	HAQQZQCYPNMION-UHFFFAOYSA-N	0	0	182.179	1.129	50	5		ADBARN
CNc1cc(OC)ccc1[N+](=O)[O-]	5140965	168065073	/nfs/dbraw/zinc/06/50/73/168065073.db2.gz	YRBBCZYRHITZDJ-UHFFFAOYSA-N	0	0	182.179	1.645	50	5	in-vitro	ADBARN
CNc1cc(NC)c([N+](=O)[O-])cc1F	72266582	168065246	/nfs/dbraw/zinc/06/52/46/168065246.db2.gz	JSPGKQOVOPWMNL-UHFFFAOYSA-N	0	0	199.185	1.817	50	5	in-vitro	ADBARN
CNc1cc(F)ccc1[N+](=O)[O-]	52119069	168065299	/nfs/dbraw/zinc/06/52/99/168065299.db2.gz	HDQNXIOVYVAKBX-UHFFFAOYSA-N	0	0	170.143	1.776	50	5		ADBARN
CNc1cc([N+](=O)[O-])ccc1N	77303018	168065576	/nfs/dbraw/zinc/06/55/76/168065576.db2.gz	NVNGTTDFLMOBMZ-UHFFFAOYSA-N	0	0	167.168	1.219	50	5	in-vitro	ADBARN
CNc1ccc(OC)c([N+](=O)[O-])c1	3130623	168066248	/nfs/dbraw/zinc/06/62/48/168066248.db2.gz	GCEHTHHPWNJJPA-UHFFFAOYSA-N	0	0	182.179	1.645	50	5		ADBARN
CNc1ccc([N+](=O)[O-])cc1N	4774771	168066256	/nfs/dbraw/zinc/06/62/56/168066256.db2.gz	MNIKERWISBANET-UHFFFAOYSA-N	0	0	167.168	1.219	50	5	in-vitro	ADBARN
CNc1ccc2nonc2c1[N+](=O)[O-]	4974085	168066367	/nfs/dbraw/zinc/06/63/67/168066367.db2.gz	XWKCLHMIQVWXPI-UHFFFAOYSA-N	0	0	194.150	1.173	50	5		ADBARN
CNc1ccc([N+](=O)[O-])cc1CO	40564744	168066499	/nfs/dbraw/zinc/06/64/99/168066499.db2.gz	YGERWDZJRVNQSX-UHFFFAOYSA-N	0	0	182.179	1.129	50	5		ADBARN
CNc1ccc([N+](=O)[O-])cc1C	5419650	168066684	/nfs/dbraw/zinc/06/66/84/168066684.db2.gz	NJYYBTRBCMPYCJ-UHFFFAOYSA-N	0	0	166.180	1.945	50	5	in-vitro	ADBARN
CNc1ccc([N+](=O)[O-])c(NC)n1	83823478	168066921	/nfs/dbraw/zinc/06/69/21/168066921.db2.gz	KCSPBYGOSJQPMB-UHFFFAOYSA-N	0	0	182.183	1.073	50	5	in-vitro	ADBARN
CNc1ccc([N+](=O)[O-])cn1	19850966	168067001	/nfs/dbraw/zinc/06/70/01/168067001.db2.gz	QCSKSRVVPACJEC-UHFFFAOYSA-N	0	0	153.141	1.032	50	5		ADBARN
CNc1ccc([N+](=O)[O-])nc1	54613721	168067039	/nfs/dbraw/zinc/06/70/39/168067039.db2.gz	NAXPEXYGRNHRSQ-UHFFFAOYSA-N	0	0	153.141	1.032	50	5	in-vitro	ADBARN
CNc1ccc([N+](=O)[O-])cc1C(C)=O	95934507	168067046	/nfs/dbraw/zinc/06/70/46/168067046.db2.gz	YKFLNXHRTOOEQH-UHFFFAOYSA-N	0	0	194.190	1.839	50	5		ADBARN
CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4115694	168067075	/nfs/dbraw/zinc/06/70/75/168067075.db2.gz	IQEJEZOCXWJNKR-UHFFFAOYSA-N	0	0	197.150	1.545	50	5	in-vitro	ADBARN
CNc1ccc([N+](=O)[O-])c(OC)c1	14007526	168067178	/nfs/dbraw/zinc/06/71/78/168067178.db2.gz	AENGNOMTDAOEGY-UHFFFAOYSA-N	0	0	182.179	1.645	50	5	in-vitro	ADBARN
CNc1ccc([N+](=O)[O-])cc1	3860557	168067356	/nfs/dbraw/zinc/06/73/56/168067356.db2.gz	XIFJZJPMHNUGRA-UHFFFAOYSA-N	0	0	152.153	1.637	50	5	in-vitro	ADBARN
CNc1ccc([N+](=O)[O-])c(C)c1	34236356	168067469	/nfs/dbraw/zinc/06/74/69/168067469.db2.gz	GEELCTZCKMIRAO-UHFFFAOYSA-N	0	0	166.180	1.945	50	5	in-vitro	ADBARN
CNc1ccc([N+](=O)[O-])c2nonc12	5248288	168067522	/nfs/dbraw/zinc/06/75/22/168067522.db2.gz	UAPBYPSUWZVMRV-UHFFFAOYSA-N	0	0	194.150	1.173	50	5	in-vitro	ADBARN
CNc1ccc(OC)cc1[N+](=O)[O-]	5329205	168067635	/nfs/dbraw/zinc/06/76/35/168067635.db2.gz	ZSLKWYWZKYPLHX-UHFFFAOYSA-N	0	0	182.179	1.645	50	5	in-vitro	ADBARN
CNc1ccnc(Cl)c1[N+](=O)[O-]	146568610	168067884	/nfs/dbraw/zinc/06/78/84/168067884.db2.gz	JFHZKZCKGOZKTP-UHFFFAOYSA-N	0	0	187.586	1.685	50	5		ADBARN
CNc1cccc(OC)c1[N+](=O)[O-]	83823535	168067945	/nfs/dbraw/zinc/06/79/45/168067945.db2.gz	GOKJIVQOMVSADW-UHFFFAOYSA-N	0	0	182.179	1.645	50	5	in-vitro	ADBARN
CNc1ccccc1[N+](=O)[O-]	3861395	168068458	/nfs/dbraw/zinc/06/84/58/168068458.db2.gz	KFBOUJZFFJDYTA-UHFFFAOYSA-N	0	0	152.153	1.637	50	5	in-vitro	ADBARN
CNc1ccnc(NC)c1[N+](=O)[O-]	95631271	168068527	/nfs/dbraw/zinc/06/85/27/168068527.db2.gz	TZKULECVAKNAJY-UHFFFAOYSA-N	0	0	182.183	1.073	50	5	in-vitro	ADBARN
CNc1cccc([N+](=O)[O-])c1	1587879	168068596	/nfs/dbraw/zinc/06/85/96/168068596.db2.gz	IKSRCCUOUJJGAU-UHFFFAOYSA-N	0	0	152.153	1.637	50	5	in-vitro	ADBARN
CNc1ccncc1[N+](=O)[O-]	20370190	168069137	/nfs/dbraw/zinc/06/91/37/168069137.db2.gz	JFOMNWVBOHVZGU-UHFFFAOYSA-N	0	0	153.141	1.032	50	5		ADBARN
CNc1cccnc1[N+](=O)[O-]	32224828	168069163	/nfs/dbraw/zinc/06/91/63/168069163.db2.gz	NCJOHCIQXAGJBV-UHFFFAOYSA-N	0	0	153.141	1.032	50	5	in-vitro	ADBARN
CNc1nc(Cl)ccc1[N+](=O)[O-]	26893959	168070290	/nfs/dbraw/zinc/07/02/90/168070290.db2.gz	XBUWSEJQFZDJAZ-UHFFFAOYSA-N	0	0	187.586	1.685	50	5	in-vitro	ADBARN
CNc1nc(Cl)ncc1[N+](=O)[O-]	4243350	168070598	/nfs/dbraw/zinc/07/05/98/168070598.db2.gz	POTFNHOCCZSOOA-UHFFFAOYSA-N	0	0	188.574	1.080	50	5	in-vitro	ADBARN
CNc1ncc([N+](=O)[O-])cc1Cl	40566575	168071427	/nfs/dbraw/zinc/07/14/27/168071427.db2.gz	PCASSQBOCYLSTM-UHFFFAOYSA-N	0	0	187.586	1.685	50	5		ADBARN
CNc1nc2ccc([N+](=O)[O-])cc2o1	39271252	168071775	/nfs/dbraw/zinc/07/17/75/168071775.db2.gz	WOUIURJKIOVIRX-UHFFFAOYSA-N	0	0	193.162	1.778	50	5		ADBARN
CNc1ncc(C)cc1[N+](=O)[O-]	39956524	168071879	/nfs/dbraw/zinc/07/18/79/168071879.db2.gz	CDLFFKOFUWNPCC-UHFFFAOYSA-N	0	0	167.168	1.340	50	5	in-vitro	ADBARN
CNc1ncccc1[N+](=O)[O-]	19738644	168071943	/nfs/dbraw/zinc/07/19/43/168071943.db2.gz	SILGRKFIVIVPKA-UHFFFAOYSA-N	0	0	153.141	1.032	50	5	in-vitro	ADBARN
CNc1ncc(Cl)cc1[N+](=O)[O-]	19899158	168072197	/nfs/dbraw/zinc/07/21/97/168072197.db2.gz	SYQICYDWDKINOO-UHFFFAOYSA-N	0	0	187.586	1.685	50	5		ADBARN
CNc1nc2sccn2c1[N+](=O)[O-]	4024238	168072871	/nfs/dbraw/zinc/07/28/71/168072871.db2.gz	MDULLNUXKGTWFS-UHFFFAOYSA-N	0	0	198.207	1.346	50	5		ADBARN
CNc1nn(C(C)C)cc1[N+](=O)[O-]	95098488	168073187	/nfs/dbraw/zinc/07/31/87/168073187.db2.gz	JIJWRGWNNPEBAQ-UHFFFAOYSA-N	0	0	184.199	1.414	50	5		ADBARN
CNc1ncnc(Cl)c1[N+](=O)[O-]	4286840	168074213	/nfs/dbraw/zinc/07/42/13/168074213.db2.gz	HJCNZFOBWVEBNC-UHFFFAOYSA-N	0	0	188.574	1.080	50	5	in-vitro	ADBARN
COC(=O)/C=C/c1ccc([N+](=O)[O-])o1	2039158	168078772	/nfs/dbraw/zinc/07/87/72/168078772.db2.gz	JZRVJMACQGFSRG-HWKANZROSA-N	0	0	197.146	1.374	50	5		ADBARN
COC(=O)Cc1cccc([N+](=O)[O-])c1	32164776	168098926	/nfs/dbraw/zinc/09/89/26/168098926.db2.gz	BFGYITRIATVARH-UHFFFAOYSA-N	0	0	195.174	1.310	50	5	in-vitro	ADBARN
COC(=O)Cc1ccc([N+](=O)[O-])cc1	1703609	168099063	/nfs/dbraw/zinc/09/90/63/168099063.db2.gz	PQRGTRBYCFLHKY-UHFFFAOYSA-N	0	0	195.174	1.310	50	5		ADBARN
COC(=O)Cc1ccccc1[N+](=O)[O-]	2571474	168099300	/nfs/dbraw/zinc/09/93/00/168099300.db2.gz	SWMFAAPTSMVULA-UHFFFAOYSA-N	0	0	195.174	1.310	50	5	in-vitro	ADBARN
COC(=O)[C@@H](C)CC[C@H](C)[N+](=O)[O-]	45068396	168103426	/nfs/dbraw/zinc/10/34/26/168103426.db2.gz	DNEMFPDMBPNXRI-BQBZGAKWSA-N	0	0	189.211	1.241	50	5		ADBARN
COC(=O)Nc1ccccc1[N+](=O)[O-]	5064206	168103871	/nfs/dbraw/zinc/10/38/71/168103871.db2.gz	WOOLAWXOCLBPTI-UHFFFAOYSA-N	0	0	196.162	1.773	50	5		ADBARN
COC(=O)[C@@H](C)CC[C@@H](C)[N+](=O)[O-]	45068389	168104179	/nfs/dbraw/zinc/10/41/79/168104179.db2.gz	DNEMFPDMBPNXRI-NKWVEPMBSA-N	0	0	189.211	1.241	50	5		ADBARN
COC(=O)Nc1ccc([N+](=O)[O-])cc1	4582964	168104571	/nfs/dbraw/zinc/10/45/71/168104571.db2.gz	DAWCBJXIGOELKF-UHFFFAOYSA-N	0	0	196.162	1.773	50	5		ADBARN
COC(=O)Nc1cccc([N+](=O)[O-])c1	2164781	168104618	/nfs/dbraw/zinc/10/46/18/168104618.db2.gz	ZMHNYWIJOJZOJY-UHFFFAOYSA-N	0	0	196.162	1.773	50	5		ADBARN
COC(=O)[C@H](C)CC[C@H](C)[N+](=O)[O-]	45068399	168115971	/nfs/dbraw/zinc/11/59/71/168115971.db2.gz	DNEMFPDMBPNXRI-RQJHMYQMSA-N	0	0	189.211	1.241	50	5		ADBARN
COC(=O)[C@H](C)CC[C@@H](C)[N+](=O)[O-]	45068393	168116181	/nfs/dbraw/zinc/11/61/81/168116181.db2.gz	DNEMFPDMBPNXRI-RNFRBKRXSA-N	0	0	189.211	1.241	50	5		ADBARN
COC(=O)c1c(F)cccc1[N+](=O)[O-]	14986297	168125973	/nfs/dbraw/zinc/12/59/73/168125973.db2.gz	MJARIPZQSNWYMM-UHFFFAOYSA-N	0	0	199.137	1.521	50	5	in-vitro	ADBARN
COC(=O)c1cc(C)c([N+](=O)[O-])cn1	95629972	168126071	/nfs/dbraw/zinc/12/60/71/168126071.db2.gz	JOCVMGPJNBRFGT-UHFFFAOYSA-N	0	0	196.162	1.085	50	5	in-vitro	ADBARN
COC(=O)c1cc(C)ccc1[N+](=O)[O-]	3080876	168126223	/nfs/dbraw/zinc/12/62/23/168126223.db2.gz	KFOICDVZQKFCGM-UHFFFAOYSA-N	0	0	195.174	1.690	50	5	in-vitro	ADBARN
COC(=O)c1cc(C)cc([N+](=O)[O-])c1	35333505	168126480	/nfs/dbraw/zinc/12/64/80/168126480.db2.gz	YNBMIFXZVJTHAS-UHFFFAOYSA-N	0	0	195.174	1.690	50	5	in-vitro	ADBARN
COC(=O)c1c(O)cccc1[N+](=O)[O-]	95932968	168126855	/nfs/dbraw/zinc/12/68/55/168126855.db2.gz	VGRACNKLIBCDHG-UHFFFAOYSA-N	0	0	197.146	1.087	50	5		ADBARN
COC(=O)c1cc(F)cc([N+](=O)[O-])c1	35333519	168128162	/nfs/dbraw/zinc/12/81/62/168128162.db2.gz	BMUQWLIUUPZAOK-UHFFFAOYSA-N	0	0	199.137	1.521	50	5	in-vitro	ADBARN
COC(=O)c1cc(F)ccc1[N+](=O)[O-]	2576430	168129248	/nfs/dbraw/zinc/12/92/48/168129248.db2.gz	LCAUVFVOLNRVKG-UHFFFAOYSA-N	0	0	199.137	1.521	50	5	in-vitro	ADBARN
COC(=O)c1cc(O)cc([N+](=O)[O-])c1	1676684	168129307	/nfs/dbraw/zinc/12/93/07/168129307.db2.gz	HTYJYEKZUXJKKW-UHFFFAOYSA-N	0	0	197.146	1.087	50	5	in-vitro	ADBARN
COC(=O)c1cc([N+](=O)[O-])ccc1F	21298915	168130259	/nfs/dbraw/zinc/13/02/59/168130259.db2.gz	JZLONOOYIXEAHM-UHFFFAOYSA-N	0	0	199.137	1.521	50	5	in-vitro	ADBARN
COC(=O)c1cc([N+](=O)[O-])cc(C)n1	104524251	168130480	/nfs/dbraw/zinc/13/04/80/168130480.db2.gz	ZQDSJEMOFUPSKY-UHFFFAOYSA-N	0	0	196.162	1.085	50	5		ADBARN
COC(=O)c1cc([N+](=O)[O-])cs1	15021493	168130827	/nfs/dbraw/zinc/13/08/27/168130827.db2.gz	ABWPLDHHOYVTPB-UHFFFAOYSA-N	0	0	187.176	1.443	50	5		ADBARN
COC(=O)c1cc([N+](=O)[O-])cnc1C	32776479	168130832	/nfs/dbraw/zinc/13/08/32/168130832.db2.gz	XLENGXHHGQWCMW-UHFFFAOYSA-N	0	0	196.162	1.085	50	5	in-vitro	ADBARN
COC(=O)c1ccc(C)c([N+](=O)[O-])c1	1651943	168130971	/nfs/dbraw/zinc/13/09/71/168130971.db2.gz	YFPBHPCMYFCRKS-UHFFFAOYSA-N	0	0	195.174	1.690	50	5	in-vitro	ADBARN
COC(=O)c1cc([N+](=O)[O-])ccc1C	3132831	168131327	/nfs/dbraw/zinc/13/13/27/168131327.db2.gz	TVGKPVDDCDQBRC-UHFFFAOYSA-N	0	0	195.174	1.690	50	5	in-vitro	ADBARN
COC(=O)c1ccc(F)cc1[N+](=O)[O-]	16159721	168131726	/nfs/dbraw/zinc/13/17/26/168131726.db2.gz	YBAZOLISUXINHV-UHFFFAOYSA-N	0	0	199.137	1.521	50	5	in-vitro	ADBARN
COC(=O)c1ccc([N+](=O)[O-])c(F)c1	8729894	168131866	/nfs/dbraw/zinc/13/18/66/168131866.db2.gz	FKMZNQQOPCCUTD-UHFFFAOYSA-N	0	0	199.137	1.521	50	5	in-vitro	ADBARN
COC(=O)c1ccc([N+](=O)[O-])c(C)n1	17111361	168132201	/nfs/dbraw/zinc/13/22/01/168132201.db2.gz	ASFJYSZUOGPXRB-UHFFFAOYSA-N	0	0	196.162	1.085	50	5		ADBARN
COC(=O)c1ccc([N+](=O)[O-])cc1	556156	168132349	/nfs/dbraw/zinc/13/23/49/168132349.db2.gz	YOJAHJGBFDPSDI-UHFFFAOYSA-N	0	0	181.147	1.381	50	5	in-vitro	ADBARN
COC(=O)c1ccc([N+](=O)[O-])s1	76213	168132462	/nfs/dbraw/zinc/13/24/62/168132462.db2.gz	ROZWUNOYMSUTKS-UHFFFAOYSA-N	0	0	187.176	1.443	50	5	in-vitro	ADBARN
COC(=O)c1ccc(F)c([N+](=O)[O-])c1	3124826	168132770	/nfs/dbraw/zinc/13/27/70/168132770.db2.gz	CNJJSTPBUHAEFH-UHFFFAOYSA-N	0	0	199.137	1.521	50	5	in-vitro	ADBARN
COC(=O)c1ccc([N+](=O)[O-])cc1C	20357979	168132871	/nfs/dbraw/zinc/13/28/71/168132871.db2.gz	JJHCLPDHYBSSHC-UHFFFAOYSA-N	0	0	195.174	1.690	50	5	in-vitro	ADBARN
COC(=O)c1ccc([N+](=O)[O-])cc1F	8729895	168133052	/nfs/dbraw/zinc/13/30/52/168133052.db2.gz	KJCVCRCYCOWPFY-UHFFFAOYSA-N	0	0	199.137	1.521	50	5	in-vitro	ADBARN
COC(=O)c1ccc([N+](=O)[O-])c(C)c1	153316	168133055	/nfs/dbraw/zinc/13/30/55/168133055.db2.gz	IEFONJKJLZFGKQ-UHFFFAOYSA-N	0	0	195.174	1.690	50	5	in-vitro	ADBARN
COC(=O)c1ccc([N+](=O)[O-])cc1O	1648954	168133102	/nfs/dbraw/zinc/13/31/02/168133102.db2.gz	DODUOCYKSQVFSW-UHFFFAOYSA-N	0	0	197.146	1.087	50	5	in-vitro	ADBARN
COC(=O)c1ccccc1[N+](=O)[O-]	152828	168133878	/nfs/dbraw/zinc/13/38/78/168133878.db2.gz	AOXPHVNMBPFOFS-UHFFFAOYSA-N	0	0	181.147	1.381	50	5		ADBARN
COC(=O)c1cccc([N+](=O)[O-])c1F	47202387	168133944	/nfs/dbraw/zinc/13/39/44/168133944.db2.gz	VEKYKLDXYNUERO-UHFFFAOYSA-N	0	0	199.137	1.521	50	5	in-vitro	ADBARN
COC(=O)c1cccc(F)c1[N+](=O)[O-]	47202389	168134071	/nfs/dbraw/zinc/13/40/71/168134071.db2.gz	CAEZBCWSCZBLRF-UHFFFAOYSA-N	0	0	199.137	1.521	50	5	in-vitro	ADBARN
COC(=O)c1cccc([N+](=O)[O-])c1C	2149906	168134725	/nfs/dbraw/zinc/13/47/25/168134725.db2.gz	CRZGFIMLHZTLGT-UHFFFAOYSA-N	0	0	195.174	1.690	50	5		ADBARN
COC(=O)c1ccnc(C)c1[N+](=O)[O-]	238323141	168134757	/nfs/dbraw/zinc/13/47/57/168134757.db2.gz	BLHRFGXBDCDXIT-UHFFFAOYSA-N	0	0	196.162	1.085	50	5		ADBARN
COC(=O)c1cccc(C)c1[N+](=O)[O-]	163618	168134948	/nfs/dbraw/zinc/13/49/48/168134948.db2.gz	NJHDBIXFFZVJGZ-UHFFFAOYSA-N	0	0	195.174	1.690	50	5	in-vitro	ADBARN
COC(=O)c1cccc([N+](=O)[O-])c1	354552	168135006	/nfs/dbraw/zinc/13/50/06/168135006.db2.gz	AXLYJLKKPUICKV-UHFFFAOYSA-N	0	0	181.147	1.381	50	5	in-vitro	ADBARN
COC(=O)c1nc([N+](=O)[O-])ccc1C	39084214	168137651	/nfs/dbraw/zinc/13/76/51/168137651.db2.gz	OSAJAKAAGMGPQC-UHFFFAOYSA-N	0	0	196.162	1.085	50	5		ADBARN
COC(=O)c1csc([N+](=O)[O-])c1	108895	168138077	/nfs/dbraw/zinc/13/80/77/168138077.db2.gz	NXVKWUOGNGQZTR-UHFFFAOYSA-N	0	0	187.176	1.443	50	5	in-vitro	ADBARN
COC(OC)c1ccccc1[N+](=O)[O-]	5997638	168141904	/nfs/dbraw/zinc/14/19/04/168141904.db2.gz	OAPZTGKQZKPVPF-UHFFFAOYSA-N	0	0	197.190	1.886	50	5		ADBARN
COC(OC)c1cccc([N+](=O)[O-])c1	1686588	168142141	/nfs/dbraw/zinc/14/21/41/168142141.db2.gz	ALXDDWGEZDTXOE-UHFFFAOYSA-N	0	0	197.190	1.886	50	5	in-vitro	ADBARN
COCC(=O)c1cccc([N+](=O)[O-])c1	37346658	168150363	/nfs/dbraw/zinc/15/03/63/168150363.db2.gz	MRPSGTRUEZQNQL-UHFFFAOYSA-N	0	0	195.174	1.424	50	5	in-vitro	ADBARN
COCCNc1ccc([N+](=O)[O-])cn1	19984482	168169122	/nfs/dbraw/zinc/16/91/22/168169122.db2.gz	MQTQGKHTBLYEGM-UHFFFAOYSA-N	0	0	197.194	1.048	50	5		ADBARN
COCCNc1ncccc1[N+](=O)[O-]	20320752	168169127	/nfs/dbraw/zinc/16/91/27/168169127.db2.gz	GMNGFFZTDVVXHM-UHFFFAOYSA-N	0	0	197.194	1.048	50	5	in-vitro	ADBARN
COCCNc1ccccc1[N+](=O)[O-]	20019490	168170282	/nfs/dbraw/zinc/17/02/82/168170282.db2.gz	SRNWVPIMZLTPPJ-UHFFFAOYSA-N	0	0	196.206	1.653	50	5		ADBARN
COCCNc1ccncc1[N+](=O)[O-]	20370169	168170479	/nfs/dbraw/zinc/17/04/79/168170479.db2.gz	FEZKICYLLLNWNN-UHFFFAOYSA-N	0	0	197.194	1.048	50	5	in-vitro	ADBARN
COCCOc1ccc([N+](=O)[O-])cc1	2030296	168171803	/nfs/dbraw/zinc/17/18/03/168171803.db2.gz	AMSIAIRQIAPAPM-UHFFFAOYSA-N	0	0	197.190	1.620	50	5	in-vitro	ADBARN
COCCOc1ccccc1[N+](=O)[O-]	33605169	168172007	/nfs/dbraw/zinc/17/20/07/168172007.db2.gz	DJTJGNJDSIOAOS-UHFFFAOYSA-N	0	0	197.190	1.620	50	5		ADBARN
COCCOc1ccc([N+](=O)[O-])cn1	90556191	168172152	/nfs/dbraw/zinc/17/21/52/168172152.db2.gz	VRVHHUJTYWVESQ-UHFFFAOYSA-N	0	0	198.178	1.015	50	5		ADBARN
COCCc1ccc([N+](=O)[O-])cc1	33605701	168175342	/nfs/dbraw/zinc/17/53/42/168175342.db2.gz	VZUJQBDFJZRCBQ-UHFFFAOYSA-N	0	0	181.191	1.784	50	5	in-vitro	ADBARN
COCOc1ccccc1[N+](=O)[O-]	34572493	168178083	/nfs/dbraw/zinc/17/80/83/168178083.db2.gz	ZYFXGJJIOCDRQO-UHFFFAOYSA-N	0	0	183.163	1.578	50	5		ADBARN
COCOc1ccc([N+](=O)[O-])cc1	32620257	168178630	/nfs/dbraw/zinc/17/86/30/168178630.db2.gz	WQLDOJPSORMLNV-UHFFFAOYSA-N	0	0	183.163	1.578	50	5		ADBARN
COCOc1cccc([N+](=O)[O-])c1	82113086	168179280	/nfs/dbraw/zinc/17/92/80/168179280.db2.gz	GYQYQOZCWGUZBX-UHFFFAOYSA-N	0	0	183.163	1.578	50	5	in-vitro	ADBARN
COCOc1ccc(N)c([N+](=O)[O-])c1	22048641	168179286	/nfs/dbraw/zinc/17/92/86/168179286.db2.gz	JYMLEEMEKCPXBF-UHFFFAOYSA-N	0	0	198.178	1.160	50	5	in-vitro	ADBARN
COCc1cccc([N+](=O)[O-])c1	90556003	168194390	/nfs/dbraw/zinc/19/43/90/168194390.db2.gz	AQBJFFGQNRWTMM-UHFFFAOYSA-N	0	0	167.164	1.741	50	5	in-vitro	ADBARN
COCc1ccc([N+](=O)[O-])cc1	1764640	168194440	/nfs/dbraw/zinc/19/44/40/168194440.db2.gz	IAZCGAQNYXPMFF-UHFFFAOYSA-N	0	0	167.164	1.741	50	5	in-vitro	ADBARN
COCc1ccc([N+](=O)[O-])o1	1591770	168194927	/nfs/dbraw/zinc/19/49/27/168194927.db2.gz	JXUMCVDPMJWGSI-UHFFFAOYSA-N	0	0	157.125	1.334	50	5	in-vitro	ADBARN
COCc1cc([N+](=O)[O-])ccc1N	50830436	168195118	/nfs/dbraw/zinc/19/51/18/168195118.db2.gz	NEXYZYSYGLNANJ-UHFFFAOYSA-N	0	0	182.179	1.323	50	5		ADBARN
COc1c(C)cccc1[N+](=O)[O-]	1664514	168223009	/nfs/dbraw/zinc/22/30/09/168223009.db2.gz	OCSBJPCSPDPAQL-UHFFFAOYSA-N	0	0	167.164	1.912	50	5	in-vitro	ADBARN
COc1c(F)cc([N+](=O)[O-])cc1F	16159168	168224661	/nfs/dbraw/zinc/22/46/61/168224661.db2.gz	HHWLNWSVKHLZDB-UHFFFAOYSA-N	0	0	189.117	1.882	50	5	in-vitro	ADBARN
COc1c(F)cc(F)cc1[N+](=O)[O-]	75880525	168225392	/nfs/dbraw/zinc/22/53/92/168225392.db2.gz	JLIOVJNEVORVCL-UHFFFAOYSA-N	0	0	189.117	1.882	50	5		ADBARN
COc1c(N)cccc1[N+](=O)[O-]	1848639	168225549	/nfs/dbraw/zinc/22/55/49/168225549.db2.gz	GVBUHJSIDPIOBZ-UHFFFAOYSA-N	0	0	168.152	1.186	50	5		ADBARN
COc1c(C=O)cccc1[N+](=O)[O-]	34223681	168225685	/nfs/dbraw/zinc/22/56/85/168225685.db2.gz	AAKQPKLNAOFUBB-UHFFFAOYSA-N	0	0	181.147	1.416	50	5	in-vitro	ADBARN
COc1c(F)cccc1[N+](=O)[O-]	16159285	168225962	/nfs/dbraw/zinc/22/59/62/168225962.db2.gz	RVPBBFKWSJLAPD-UHFFFAOYSA-N	0	0	171.127	1.743	50	5	in-vitro	ADBARN
COc1c([N+](=O)[O-])ccc2n[nH]cc12	95347674	168226341	/nfs/dbraw/zinc/22/63/41/168226341.db2.gz	GSFSIGXIWZWYOK-UHFFFAOYSA-N	0	0	193.162	1.480	50	5	in-vitro	ADBARN
COc1c([N+](=O)[O-])ccc(F)c1F	16125679	168226904	/nfs/dbraw/zinc/22/69/04/168226904.db2.gz	BCWRUHXLSHZAEA-UHFFFAOYSA-N	0	0	189.117	1.882	50	5	in-vitro	ADBARN
COc1c([N+](=O)[O-])ccnc1Cl	98177665	168226943	/nfs/dbraw/zinc/22/69/43/168226943.db2.gz	LJNLOXQPMZAWIX-UHFFFAOYSA-N	0	0	188.570	1.652	50	5	in-vitro	ADBARN
COc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	32207596	168227198	/nfs/dbraw/zinc/22/71/98/168227198.db2.gz	DZVZPFZSAYLSDU-UHFFFAOYSA-N	0	0	198.134	1.512	50	5	in-vitro	ADBARN
COc1c([N+](=O)[O-])ccc(C=O)c1O	34414179	168227824	/nfs/dbraw/zinc/22/78/24/168227824.db2.gz	PAQVXXZKNYZUOH-UHFFFAOYSA-N	0	0	197.146	1.122	50	5	in-vitro	ADBARN
COc1cc(C(C)=O)cc([N+](=O)[O-])c1	95764081	168229384	/nfs/dbraw/zinc/22/93/84/168229384.db2.gz	HDCGVNAVLOWLHP-UHFFFAOYSA-N	0	0	195.174	1.806	50	5		ADBARN
COc1cc(C(C)=O)ccc1[N+](=O)[O-]	2545418	168229439	/nfs/dbraw/zinc/22/94/39/168229439.db2.gz	QGZZCBCLSMAVSE-UHFFFAOYSA-N	0	0	195.174	1.806	50	5	in-vitro	ADBARN
COc1cc(C)c([N+](=O)[O-])cn1	15884416	168230499	/nfs/dbraw/zinc/23/04/99/168230499.db2.gz	DJNQRLCFAHKFLZ-UHFFFAOYSA-N	0	0	168.152	1.307	50	5	in-vitro	ADBARN
COc1cc(C)cc([N+](=O)[O-])c1	34310600	168230547	/nfs/dbraw/zinc/23/05/47/168230547.db2.gz	VUEDJWWAGSGOCC-UHFFFAOYSA-N	0	0	167.164	1.912	50	5		ADBARN
COc1cc(C)c([N+](=O)[O-])cc1OC	1686237	168231382	/nfs/dbraw/zinc/23/13/82/168231382.db2.gz	BNJRARLHTLUQCH-UHFFFAOYSA-N	0	0	197.190	1.920	50	5		ADBARN
COc1cc(C)ccc1[N+](=O)[O-]	1713725	168232059	/nfs/dbraw/zinc/23/20/59/168232059.db2.gz	XCOUVPWGTSKINY-UHFFFAOYSA-N	0	0	167.164	1.912	50	5		ADBARN
COc1cc(C=O)cc([N+](=O)[O-])c1	40448381	168232161	/nfs/dbraw/zinc/23/21/61/168232161.db2.gz	XZFQLZGPDRXXHV-UHFFFAOYSA-N	0	0	181.147	1.416	50	5	in-vitro	ADBARN
COc1cc(C=O)ccc1[N+](=O)[O-]	50517601	168232854	/nfs/dbraw/zinc/23/28/54/168232854.db2.gz	WUTIWOZYHHSBBU-UHFFFAOYSA-N	0	0	181.147	1.416	50	5	in-vitro	ADBARN
COc1cc(Cl)c([N+](=O)[O-])cn1	95628513	168233389	/nfs/dbraw/zinc/23/33/89/168233389.db2.gz	CZHWJHZGZXCVIQ-UHFFFAOYSA-N	0	0	188.570	1.652	50	5	in-vitro	ADBARN
COc1cc(CO)ccc1[N+](=O)[O-]	2567942	168233676	/nfs/dbraw/zinc/23/36/76/168233676.db2.gz	AADYWCBPJZAJNU-UHFFFAOYSA-N	0	0	183.163	1.096	50	5	in-vitro	ADBARN
COc1cc(Cl)cnc1[N+](=O)[O-]	196375591	168233829	/nfs/dbraw/zinc/23/38/29/168233829.db2.gz	ZBRYRVCRBMYYDO-UHFFFAOYSA-N	0	0	188.570	1.652	50	5		ADBARN
COc1cc(CC[N+](=O)[O-])ccc1O	2519218	168233862	/nfs/dbraw/zinc/23/38/62/168233862.db2.gz	SRXYTHWJEJQHCP-UHFFFAOYSA-N	0	0	197.190	1.220	50	5	in-vitro	ADBARN
COc1cc(CO)cc([N+](=O)[O-])c1	39090162	168234702	/nfs/dbraw/zinc/23/47/02/168234702.db2.gz	YHVWSNFJLXOVCZ-UHFFFAOYSA-N	0	0	183.163	1.096	50	5		ADBARN
COc1cc(F)cc([N+](=O)[O-])c1F	263623410	168235231	/nfs/dbraw/zinc/23/52/31/168235231.db2.gz	HEODPVGPAUWDMN-UHFFFAOYSA-N	0	0	189.117	1.882	50	5		ADBARN
COc1cc(Cl)ncc1[N+](=O)[O-]	36533552	168235497	/nfs/dbraw/zinc/23/54/97/168235497.db2.gz	IDLQBYAYVNBGGL-UHFFFAOYSA-N	0	0	188.570	1.652	50	5		ADBARN
COc1cc(F)cc([N+](=O)[O-])c1	1701565	168235625	/nfs/dbraw/zinc/23/56/25/168235625.db2.gz	FPDLQPICBDMTLB-UHFFFAOYSA-N	0	0	171.127	1.743	50	5	in-vitro	ADBARN
COc1cc(F)cc(F)c1[N+](=O)[O-]	36533783	168235716	/nfs/dbraw/zinc/23/57/16/168235716.db2.gz	DXEGOHULGVHKCT-UHFFFAOYSA-N	0	0	189.117	1.882	50	5	in-vitro	ADBARN
COc1cc(F)c(F)cc1[N+](=O)[O-]	40442715	168235828	/nfs/dbraw/zinc/23/58/28/168235828.db2.gz	JQFISHUXFQMRFG-UHFFFAOYSA-N	0	0	189.117	1.882	50	5	in-vitro	ADBARN
COc1cc(F)c([N+](=O)[O-])cc1N	88246990	168235930	/nfs/dbraw/zinc/23/59/30/168235930.db2.gz	FYSIGSQCZXQTIH-UHFFFAOYSA-N	0	0	186.142	1.325	50	5	in-vitro	ADBARN
COc1cc(F)c([N+](=O)[O-])cc1F	75789539	168235941	/nfs/dbraw/zinc/23/59/41/168235941.db2.gz	OEODGYCZRSHEBE-UHFFFAOYSA-N	0	0	189.117	1.882	50	5	in-vitro	ADBARN
COc1cc(N)c([N+](=O)[O-])cc1OC	3888821	168235981	/nfs/dbraw/zinc/23/59/81/168235981.db2.gz	LDAJFLKWQVYIFG-UHFFFAOYSA-N	0	0	198.178	1.194	50	5	in-vitro	ADBARN
COc1cc(N)c(C)cc1[N+](=O)[O-]	4520852	168236005	/nfs/dbraw/zinc/23/60/05/168236005.db2.gz	PEIGETRPPZVBHT-UHFFFAOYSA-N	0	0	182.179	1.494	50	5	in-vitro	ADBARN
COc1cc(N)c([N+](=O)[O-])cc1C	63772299	168236014	/nfs/dbraw/zinc/23/60/14/168236014.db2.gz	HNGPMYQSCBNTRB-UHFFFAOYSA-N	0	0	182.179	1.494	50	5	in-vitro	ADBARN
COc1cc(N(C)C)ccc1[N+](=O)[O-]	14007500	168236146	/nfs/dbraw/zinc/23/61/46/168236146.db2.gz	SJPYRQAJLGWUSP-UHFFFAOYSA-N	0	0	196.206	1.669	50	5		ADBARN
COc1cc(F)ccc1[N+](=O)[O-]	2555194	168236230	/nfs/dbraw/zinc/23/62/30/168236230.db2.gz	WLKUSVNHZXUEFO-UHFFFAOYSA-N	0	0	171.127	1.743	50	5	in-vitro	ADBARN
COc1cc(F)c(C=O)cc1[N+](=O)[O-]	97447141	168236241	/nfs/dbraw/zinc/23/62/41/168236241.db2.gz	VBSYSLUOPPFQMO-UHFFFAOYSA-N	0	0	199.137	1.555	50	5		ADBARN
COc1cc(F)c([N+](=O)[O-])c(F)c1	21987791	168236274	/nfs/dbraw/zinc/23/62/74/168236274.db2.gz	YNHSGDUOWUPKKQ-UHFFFAOYSA-N	0	0	189.117	1.882	50	5	in-vitro	ADBARN
COc1cc(N)c([N+](=O)[O-])cc1F	40456619	168236300	/nfs/dbraw/zinc/23/63/00/168236300.db2.gz	FRMLKSWJWIKLPO-UHFFFAOYSA-N	0	0	186.142	1.325	50	5	in-vitro	ADBARN
COc1cc(F)c(F)c([N+](=O)[O-])c1	263624709	168236353	/nfs/dbraw/zinc/23/63/53/168236353.db2.gz	SUDPHYGYNIKBRB-UHFFFAOYSA-N	0	0	189.117	1.882	50	5		ADBARN
COc1cc(O)cc([N+](=O)[O-])c1	1620710	168237356	/nfs/dbraw/zinc/23/73/56/168237356.db2.gz	YETHUNXROLCEGJ-UHFFFAOYSA-N	0	0	169.136	1.309	50	5	in-vitro	ADBARN
COc1cc(N)cc([N+](=O)[O-])c1	2573077	168237888	/nfs/dbraw/zinc/23/78/88/168237888.db2.gz	BGWUXZLHDLNYHW-UHFFFAOYSA-N	0	0	168.152	1.186	50	5	in-vitro	ADBARN
COc1cc(N)ccc1[N+](=O)[O-]	3852568	168238192	/nfs/dbraw/zinc/23/81/92/168238192.db2.gz	JVUHWSGOORVDML-UHFFFAOYSA-N	0	0	168.152	1.186	50	5	in-vitro	ADBARN
COc1cc(OC)c(C)c([N+](=O)[O-])c1	14986325	168238798	/nfs/dbraw/zinc/23/87/98/168238798.db2.gz	GNWAEXWMLARGIG-UHFFFAOYSA-N	0	0	197.190	1.920	50	5	in-vitro	ADBARN
COc1cc(OC)cc([N+](=O)[O-])c1	14614093	168238989	/nfs/dbraw/zinc/23/89/89/168238989.db2.gz	WVUCNNGUXNXOBY-UHFFFAOYSA-N	0	0	183.163	1.612	50	5		ADBARN
COc1cc([N+](=O)[O-])ccc1O	36072255	168239953	/nfs/dbraw/zinc/23/99/53/168239953.db2.gz	IZLVFLOBTPURLP-UHFFFAOYSA-N	0	0	169.136	1.309	50	5	in-vitro	ADBARN
COc1cc2[nH]cc([N+](=O)[O-])c2cn1	44713129	168240197	/nfs/dbraw/zinc/24/01/97/168240197.db2.gz	RQXSZIQXHRIKBA-UHFFFAOYSA-N	0	0	193.162	1.480	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])cnc1Cl	66352327	168240323	/nfs/dbraw/zinc/24/03/23/168240323.db2.gz	XXGPBLSIXOYNEM-UHFFFAOYSA-N	0	0	188.570	1.652	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])ccc1C(C)=O	83184629	168240356	/nfs/dbraw/zinc/24/03/56/168240356.db2.gz	KIBOJZSASSWCHN-UHFFFAOYSA-N	0	0	195.174	1.806	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])ccc1C	1621823	168240482	/nfs/dbraw/zinc/24/04/82/168240482.db2.gz	WVQGZNRUEVFXKR-UHFFFAOYSA-N	0	0	167.164	1.912	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])cc2c1OCO2	1040995	168240523	/nfs/dbraw/zinc/24/05/23/168240523.db2.gz	CNVWHJAWPZWPCW-UHFFFAOYSA-N	0	0	197.146	1.332	50	5		ADBARN
COc1cc([N+](=O)[O-])c(F)cc1N	91252306	168240540	/nfs/dbraw/zinc/24/05/40/168240540.db2.gz	ZMQFEOYUITZEMG-UHFFFAOYSA-N	0	0	186.142	1.325	50	5		ADBARN
COc1cc2n[nH]cc2cc1[N+](=O)[O-]	34515679	168240554	/nfs/dbraw/zinc/24/05/54/168240554.db2.gz	QULAONDBWZZTOI-UHFFFAOYSA-N	0	0	193.162	1.480	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])c(N)cc1F	4353150	168240560	/nfs/dbraw/zinc/24/05/60/168240560.db2.gz	RVAJIOQIKOUNON-UHFFFAOYSA-N	0	0	186.142	1.325	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])c(OC)cc1N	3861430	168240872	/nfs/dbraw/zinc/24/08/72/168240872.db2.gz	ZTQGTYFYOODGOQ-UHFFFAOYSA-N	0	0	198.178	1.194	50	5		ADBARN
COc1cc([N+](=O)[O-])ccc1F	21299366	168240905	/nfs/dbraw/zinc/24/09/05/168240905.db2.gz	AZNKKZHZGDZSIF-UHFFFAOYSA-N	0	0	171.127	1.743	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1666717	168240999	/nfs/dbraw/zinc/24/09/99/168240999.db2.gz	OTMLGCBMOMNGCV-UHFFFAOYSA-N	0	0	198.134	1.512	50	5		ADBARN
COc1cc([N+](=O)[O-])ccc1C=O	2583420	168241128	/nfs/dbraw/zinc/24/11/28/168241128.db2.gz	LEBUUZXTHMCZQZ-UHFFFAOYSA-N	0	0	181.147	1.416	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])cc(F)c1F	114927900	168241169	/nfs/dbraw/zinc/24/11/69/168241169.db2.gz	VLYKDOPLRIZFCY-UHFFFAOYSA-N	0	0	189.117	1.882	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])c(C)cc1N	4706926	168241184	/nfs/dbraw/zinc/24/11/84/168241184.db2.gz	VXUMJWGCPAUKTB-UHFFFAOYSA-N	0	0	182.179	1.494	50	5		ADBARN
COc1cc([N+](=O)[O-])ccc1N	3860904	168241199	/nfs/dbraw/zinc/24/11/99/168241199.db2.gz	GVBHRNIWBGTNQA-UHFFFAOYSA-N	0	0	168.152	1.186	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])c(N)cc1C	39253893	168241259	/nfs/dbraw/zinc/24/12/59/168241259.db2.gz	QRQYCJHQHGNOPP-UHFFFAOYSA-N	0	0	182.179	1.494	50	5		ADBARN
COc1cc([N+](=O)[O-])cc(O)c1OC	91296993	168241291	/nfs/dbraw/zinc/24/12/91/168241291.db2.gz	OHKOOWDMYYNFBX-UHFFFAOYSA-N	0	0	199.162	1.318	50	5		ADBARN
COc1cc([N+](=O)[O-])ccc1CO	8698187	168241402	/nfs/dbraw/zinc/24/14/02/168241402.db2.gz	IWXYLEKOKGKRTN-UHFFFAOYSA-N	0	0	183.163	1.096	50	5	in-vitro	ADBARN
COc1cc2c(cc1[N+](=O)[O-])OCO2	1697479	168241414	/nfs/dbraw/zinc/24/14/14/168241414.db2.gz	PSDYVDORVSBOQW-UHFFFAOYSA-N	0	0	197.146	1.332	50	5		ADBARN
COc1cc([N+](=O)[O-])ccc1NC=O	4775552	168241416	/nfs/dbraw/zinc/24/14/16/168241416.db2.gz	FUIUWHWBMOROGV-UHFFFAOYSA-N	0	0	196.162	1.172	50	5		ADBARN
COc1cc([N+](=O)[O-])ccc1N(C)C	45958853	168241472	/nfs/dbraw/zinc/24/14/72/168241472.db2.gz	YDODYNVOKLHYNP-UHFFFAOYSA-N	0	0	196.206	1.669	50	5		ADBARN
COc1cc([N+](=O)[O-])c(F)cc1F	1706170	168241498	/nfs/dbraw/zinc/24/14/98/168241498.db2.gz	UWQOVGHBTZMFAF-UHFFFAOYSA-N	0	0	189.117	1.882	50	5	in-vitro	ADBARN
COc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]	36381082	168241536	/nfs/dbraw/zinc/24/15/36/168241536.db2.gz	MUBJXSCTPOBLCX-UHFFFAOYSA-N	0	0	198.134	1.512	50	5	in-vitro	ADBARN
COc1cc2c[nH]nc2cc1[N+](=O)[O-]	39090475	168242685	/nfs/dbraw/zinc/24/26/85/168242685.db2.gz	NGZRHTSGWGCDDC-UHFFFAOYSA-N	0	0	193.162	1.480	50	5	in-vitro	ADBARN
COc1ccc(/C=C\[N+](=O)[O-])cc1	5009962	168243738	/nfs/dbraw/zinc/24/37/38/168243738.db2.gz	JKQUXSHVQGBODD-SREVYHEPSA-N	0	0	179.175	1.943	50	5		ADBARN
COc1ccc(/C=C/[N+](=O)[O-])cc1	74770	168244544	/nfs/dbraw/zinc/24/45/44/168244544.db2.gz	JKQUXSHVQGBODD-VOTSOKGWSA-N	0	0	179.175	1.943	50	5	endogenous,in-man	ADBARN
COc1ccc(C(C)=O)cc1[N+](=O)[O-]	162618	168245317	/nfs/dbraw/zinc/24/53/17/168245317.db2.gz	VXLKYQQBEPCMJE-UHFFFAOYSA-N	0	0	195.174	1.806	50	5	in-vitro	ADBARN
COc1ccc(C)c([N+](=O)[O-])c1	2567949	168245432	/nfs/dbraw/zinc/24/54/32/168245432.db2.gz	JBORNNNGTJSTLC-UHFFFAOYSA-N	0	0	167.164	1.912	50	5	in-vitro	ADBARN
COc1ccc(C)c(OC)c1[N+](=O)[O-]	238362998	168245637	/nfs/dbraw/zinc/24/56/37/168245637.db2.gz	YBUMBXGXYYZJJU-UHFFFAOYSA-N	0	0	197.190	1.920	50	5		ADBARN
COc1ccc(C)nc1[N+](=O)[O-]	83219	168247136	/nfs/dbraw/zinc/24/71/36/168247136.db2.gz	YEEJSIYKPVLUKN-UHFFFAOYSA-N	0	0	168.152	1.307	50	5	in-vitro	ADBARN
COc1ccc(C)cc1[N+](=O)[O-]	1847839	168247448	/nfs/dbraw/zinc/24/74/48/168247448.db2.gz	LGNMURXRPLMVJI-UHFFFAOYSA-N	0	0	167.164	1.912	50	5		ADBARN
COc1ccc(C=O)c([N+](=O)[O-])c1	1613167	168248089	/nfs/dbraw/zinc/24/80/89/168248089.db2.gz	KLTDQLIGNSBZPO-UHFFFAOYSA-N	0	0	181.147	1.416	50	5	in-vitro	ADBARN
COc1ccc(C=O)cc1[N+](=O)[O-]	80724	168249660	/nfs/dbraw/zinc/24/96/60/168249660.db2.gz	YTCRQCGRYCKYNO-UHFFFAOYSA-N	0	0	181.147	1.416	50	5	in-vitro	ADBARN
COc1ccc(C[C@@H](F)[N+](=O)[O-])cc1	306145594	168250435	/nfs/dbraw/zinc/25/04/35/168250435.db2.gz	JUIRBSJEFHLVED-VIFPVBQESA-N	0	0	199.181	1.810	50	5		ADBARN
COc1ccc(CO)c([N+](=O)[O-])c1	6736307	168250711	/nfs/dbraw/zinc/25/07/11/168250711.db2.gz	DDVFIARESYCFKS-UHFFFAOYSA-N	0	0	183.163	1.096	50	5		ADBARN
COc1ccc(C[C@H](F)[N+](=O)[O-])cc1	306145593	168250770	/nfs/dbraw/zinc/25/07/70/168250770.db2.gz	JUIRBSJEFHLVED-SECBINFHSA-N	0	0	199.181	1.810	50	5		ADBARN
COc1ccc(CO)cc1[N+](=O)[O-]	2583611	168250833	/nfs/dbraw/zinc/25/08/33/168250833.db2.gz	XJVDLGZUYYAXLS-UHFFFAOYSA-N	0	0	183.163	1.096	50	5		ADBARN
COc1ccc(F)c([N+](=O)[O-])c1F	261493803	168252187	/nfs/dbraw/zinc/25/21/87/168252187.db2.gz	JRCWHMFFZDIBFH-UHFFFAOYSA-N	0	0	189.117	1.882	50	5		ADBARN
COc1ccc(F)c([N+](=O)[O-])c1	40448799	168252362	/nfs/dbraw/zinc/25/23/62/168252362.db2.gz	ZRIKJXDEJYMBEJ-UHFFFAOYSA-N	0	0	171.127	1.743	50	5	in-vitro	ADBARN
COc1ccc(Cl)nc1[N+](=O)[O-]	98086054	168253153	/nfs/dbraw/zinc/25/31/53/168253153.db2.gz	BSAKOOHPKGWCJR-UHFFFAOYSA-N	0	0	188.570	1.652	50	5		ADBARN
COc1ccc(N)cc1[N+](=O)[O-]	336745	168254207	/nfs/dbraw/zinc/25/42/07/168254207.db2.gz	RUFOHZDEBFYQSV-UHFFFAOYSA-N	0	0	168.152	1.186	50	5	in-vitro	ADBARN
COc1ccc(N)c([N+](=O)[O-])c1	3860592	168254581	/nfs/dbraw/zinc/25/45/81/168254581.db2.gz	QFMJFXFXQAFGBO-UHFFFAOYSA-N	0	0	168.152	1.186	50	5	in-vitro	ADBARN
COc1ccc(F)cc1[N+](=O)[O-]	2560374	168254673	/nfs/dbraw/zinc/25/46/73/168254673.db2.gz	FWLPYISRFBKEKV-UHFFFAOYSA-N	0	0	171.127	1.743	50	5	in-vitro	ADBARN
COc1ccc(OC)c([N+](=O)[O-])c1N	5249040	168255749	/nfs/dbraw/zinc/25/57/49/168255749.db2.gz	IYZRKVSLWPDVKX-UHFFFAOYSA-N	0	0	198.178	1.194	50	5		ADBARN
COc1ccc(OC)c([N+](=O)[O-])c1	1591843	168255900	/nfs/dbraw/zinc/25/59/00/168255900.db2.gz	UPTOWXNJLZJTGD-UHFFFAOYSA-N	0	0	183.163	1.612	50	5		ADBARN
COc1ccc([N+](=O)[O-])cc1OC	80767	168260279	/nfs/dbraw/zinc/26/02/79/168260279.db2.gz	YFWBUVZWCBFSQN-UHFFFAOYSA-N	0	0	183.163	1.612	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])cc1	897026	168260294	/nfs/dbraw/zinc/26/02/94/168260294.db2.gz	BNUHAJGCKIQFGE-UHFFFAOYSA-N	0	0	153.137	1.603	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])c(N)c1	3852477	168260303	/nfs/dbraw/zinc/26/03/03/168260303.db2.gz	QEHVRGACCVLLNN-UHFFFAOYSA-N	0	0	168.152	1.186	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])nc1C	21982010	168260320	/nfs/dbraw/zinc/26/03/20/168260320.db2.gz	UOKVFMZISSJYNM-UHFFFAOYSA-N	0	0	168.152	1.307	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])cc1C(C)=O	48512615	168260344	/nfs/dbraw/zinc/26/03/44/168260344.db2.gz	RKSKSDPCWVAZKN-UHFFFAOYSA-N	0	0	195.174	1.806	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3875819	168260349	/nfs/dbraw/zinc/26/03/49/168260349.db2.gz	CVYZVNVPQRKDLW-UHFFFAOYSA-N	0	0	198.134	1.512	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])c(C=O)c1	1621819	168260377	/nfs/dbraw/zinc/26/03/77/168260377.db2.gz	BNTDDWPHSMILHQ-UHFFFAOYSA-N	0	0	181.147	1.416	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])cc1NC=O	1657063	168260380	/nfs/dbraw/zinc/26/03/80/168260380.db2.gz	WMFURCICLSTGEJ-UHFFFAOYSA-N	0	0	196.162	1.172	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])cc1CO	15416378	168260404	/nfs/dbraw/zinc/26/04/04/168260404.db2.gz	NDVYUOCVDRLAPG-UHFFFAOYSA-N	0	0	183.163	1.096	50	5		ADBARN
COc1ccc([N+](=O)[O-])c(F)c1F	16158609	168260462	/nfs/dbraw/zinc/26/04/62/168260462.db2.gz	KDXIYOKCZFOFOR-UHFFFAOYSA-N	0	0	189.117	1.882	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])c(CO)c1	95830766	168260494	/nfs/dbraw/zinc/26/04/94/168260494.db2.gz	SBAKUYPHABTDLL-UHFFFAOYSA-N	0	0	183.163	1.096	50	5		ADBARN
COc1ccc([N+](=O)[O-])cc1N	162403	168260607	/nfs/dbraw/zinc/26/06/07/168260607.db2.gz	NIPDVSLAMPAWTP-UHFFFAOYSA-N	0	0	168.152	1.186	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])c(OC)n1	111505	168260630	/nfs/dbraw/zinc/26/06/30/168260630.db2.gz	HZVWNFPJKCNELX-UHFFFAOYSA-N	0	0	184.151	1.007	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])c(C)c1	1670353	168260689	/nfs/dbraw/zinc/26/06/89/168260689.db2.gz	RTZOGYCMIMOVHU-UHFFFAOYSA-N	0	0	167.164	1.912	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])cc1F	1706176	168260701	/nfs/dbraw/zinc/26/07/01/168260701.db2.gz	XGMVTXUXZUPGGY-UHFFFAOYSA-N	0	0	171.127	1.743	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])c(F)c1	12471358	168260708	/nfs/dbraw/zinc/26/07/08/168260708.db2.gz	PLEJCMKVJYUUBA-UHFFFAOYSA-N	0	0	171.127	1.743	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])cc1C	5018780	168260718	/nfs/dbraw/zinc/26/07/18/168260718.db2.gz	QOZMIJZYJZQOBV-UHFFFAOYSA-N	0	0	167.164	1.912	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])c(C)n1	1621964	168260738	/nfs/dbraw/zinc/26/07/38/168260738.db2.gz	GSJQJZOENXJWIP-UHFFFAOYSA-N	0	0	168.152	1.307	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])cc1O	295034	168260740	/nfs/dbraw/zinc/26/07/40/168260740.db2.gz	KXKCTSZYNCDFFG-UHFFFAOYSA-N	0	0	169.136	1.309	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])c(Cl)n1	155994	168260784	/nfs/dbraw/zinc/26/07/84/168260784.db2.gz	DVRGUTNVDGIKTP-UHFFFAOYSA-N	0	0	188.570	1.652	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])cc1C=O	2389311	168260852	/nfs/dbraw/zinc/26/08/52/168260852.db2.gz	YWVSKFXYEWMHEO-UHFFFAOYSA-N	0	0	181.147	1.416	50	5		ADBARN
COc1ccc([N+](=O)[O-])nc1OC	38537220	168260873	/nfs/dbraw/zinc/26/08/73/168260873.db2.gz	QDBVUQQJSXYDHF-UHFFFAOYSA-N	0	0	184.151	1.007	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])c(OC)c1	1690955	168260877	/nfs/dbraw/zinc/26/08/77/168260877.db2.gz	XXWIYOBCHKCWNT-UHFFFAOYSA-N	0	0	183.163	1.612	50	5	in-vitro	ADBARN
COc1ccc([N+](=O)[O-])nc1Cl	85210007	168260893	/nfs/dbraw/zinc/26/08/93/168260893.db2.gz	XJSAWHJQCHAIDG-UHFFFAOYSA-N	0	0	188.570	1.652	50	5		ADBARN
COc1ccc2nonc2c1[N+](=O)[O-]	326339	168266797	/nfs/dbraw/zinc/26/67/97/168266797.db2.gz	VACFBPICLQYYBY-UHFFFAOYSA-N	0	0	195.134	1.140	50	5		ADBARN
COc1cccc(C(C)=O)c1[N+](=O)[O-]	2585999	168267470	/nfs/dbraw/zinc/26/74/70/168267470.db2.gz	PVWNRLOVUZOZMF-UHFFFAOYSA-N	0	0	195.174	1.806	50	5		ADBARN
COc1cccc(C)c1[N+](=O)[O-]	1666557	168267788	/nfs/dbraw/zinc/26/77/88/168267788.db2.gz	MGBRGNWARSQECY-UHFFFAOYSA-N	0	0	167.164	1.912	50	5	in-vitro	ADBARN
COc1cccc(C=O)c1[N+](=O)[O-]	1697565	168267937	/nfs/dbraw/zinc/26/79/37/168267937.db2.gz	GDTUACILWWLIJF-UHFFFAOYSA-N	0	0	181.147	1.416	50	5	in-vitro	ADBARN
COc1cccc(/C=C/[N+](=O)[O-])c1	101870	168268018	/nfs/dbraw/zinc/26/80/18/168268018.db2.gz	IJBGIPFDIABTKB-AATRIKPKSA-N	0	0	179.175	1.943	50	5	in-vitro	ADBARN
COc1cccc(CO)c1[N+](=O)[O-]	38671990	168268795	/nfs/dbraw/zinc/26/87/95/168268795.db2.gz	YYIIAPQEOXNDLW-UHFFFAOYSA-N	0	0	183.163	1.096	50	5	in-vitro	ADBARN
COc1cccc(N)c1[N+](=O)[O-]	38916145	168269148	/nfs/dbraw/zinc/26/91/48/168269148.db2.gz	RITQAMSEQYWFML-UHFFFAOYSA-N	0	0	168.152	1.186	50	5	in-vitro	ADBARN
COc1cccc(F)c1[N+](=O)[O-]	16158904	168269162	/nfs/dbraw/zinc/26/91/62/168269162.db2.gz	GMWOSSBFNSZKAH-UHFFFAOYSA-N	0	0	171.127	1.743	50	5	in-vitro	ADBARN
COc1cccc(OC)c1[N+](=O)[O-]	161677	168271313	/nfs/dbraw/zinc/27/13/13/168271313.db2.gz	MVBXGGHFJZBKFJ-UHFFFAOYSA-N	0	0	183.163	1.612	50	5	in-vitro	ADBARN
COc1cccc([N+](=O)[O-])c1[N+](=O)[O-]	4721573	168272375	/nfs/dbraw/zinc/27/23/75/168272375.db2.gz	OIGDISKECPMPBN-UHFFFAOYSA-N	0	0	198.134	1.512	50	5	in-vitro	ADBARN
COc1cccc([N+](=O)[O-])c1	1680638	168272451	/nfs/dbraw/zinc/27/24/51/168272451.db2.gz	WGYFINWERLNPHR-UHFFFAOYSA-N	0	0	153.137	1.603	50	5	in-vitro	ADBARN
COc1cccc([N+](=O)[O-])c1OC	117996997	168272616	/nfs/dbraw/zinc/27/26/16/168272616.db2.gz	DWVNLBRNGAANPI-UHFFFAOYSA-N	0	0	183.163	1.612	50	5		ADBARN
COc1cccc([N+](=O)[O-])c1N	4255649	168272846	/nfs/dbraw/zinc/27/28/46/168272846.db2.gz	NDKWDGCTUOOAPF-UHFFFAOYSA-N	0	0	168.152	1.186	50	5	in-vitro	ADBARN
COc1cccc([N+](=O)[O-])c1C=O	34071399	168273089	/nfs/dbraw/zinc/27/30/89/168273089.db2.gz	NQCOCZQZPQKVGI-UHFFFAOYSA-N	0	0	181.147	1.416	50	5	in-vitro	ADBARN
COc1cccc([N+](=O)[O-])c1F	143861389	168273159	/nfs/dbraw/zinc/27/31/59/168273159.db2.gz	WDQHQUDZNPCCAF-UHFFFAOYSA-N	0	0	171.127	1.743	50	5	in-vitro	ADBARN
COc1cccc([N+](=O)[O-])c1C	161630	168273220	/nfs/dbraw/zinc/27/32/20/168273220.db2.gz	HQCZLEAGIOIIMC-UHFFFAOYSA-N	0	0	167.164	1.912	50	5	in-vitro	ADBARN
COc1ccccc1/C=C/[N+](=O)[O-]	101671	168276792	/nfs/dbraw/zinc/27/67/92/168276792.db2.gz	FVKSRNVYJXQCLK-VOTSOKGWSA-N	0	0	179.175	1.943	50	5	in-vitro	ADBARN
COc1ccccc1/C=C\[N+](=O)[O-]	8642285	168277077	/nfs/dbraw/zinc/27/70/77/168277077.db2.gz	FVKSRNVYJXQCLK-SREVYHEPSA-N	0	0	179.175	1.943	50	5		ADBARN
COc1ccccc1[N+](=O)[O-]	1686985	168277997	/nfs/dbraw/zinc/27/79/97/168277997.db2.gz	CFBYEGUGFPZCNF-UHFFFAOYSA-N	0	0	153.137	1.603	50	5	in-vitro	ADBARN
COc1ccnc(Cl)c1[N+](=O)[O-]	5285694	168279839	/nfs/dbraw/zinc/27/98/39/168279839.db2.gz	SVXPNTNLKOJPTK-UHFFFAOYSA-N	0	0	188.570	1.652	50	5	in-vitro	ADBARN
COc1cnc(Cl)cc1[N+](=O)[O-]	261494245	168281575	/nfs/dbraw/zinc/28/15/75/168281575.db2.gz	SOTUUOMAUMXUML-UHFFFAOYSA-N	0	0	188.570	1.652	50	5		ADBARN
COc1cnc(Cl)c([N+](=O)[O-])c1	21981931	168281616	/nfs/dbraw/zinc/28/16/16/168281616.db2.gz	AUHIVEPPZZIGNI-UHFFFAOYSA-N	0	0	188.570	1.652	50	5	in-vitro	ADBARN
COc1cnc([N+](=O)[O-])c(OC)c1	331020	168281877	/nfs/dbraw/zinc/28/18/77/168281877.db2.gz	PLDJLURDYKCZDJ-UHFFFAOYSA-N	0	0	184.151	1.007	50	5		ADBARN
COc1n[nH]c2ccc([N+](=O)[O-])cc12	72226528	168282491	/nfs/dbraw/zinc/28/24/91/168282491.db2.gz	VKCOORWHKSNLDO-UHFFFAOYSA-N	0	0	193.162	1.480	50	5		ADBARN
COc1n[nH]c2cc([N+](=O)[O-])ccc12	89196042	168282573	/nfs/dbraw/zinc/28/25/73/168282573.db2.gz	OZYWKOVKYCUERD-UHFFFAOYSA-N	0	0	193.162	1.480	50	5		ADBARN
COc1nc(C)ccc1[N+](=O)[O-]	8698097	168283659	/nfs/dbraw/zinc/28/36/59/168283659.db2.gz	JDDZEAXDQIARMR-UHFFFAOYSA-N	0	0	168.152	1.307	50	5	in-vitro	ADBARN
COc1nc(Cl)ccc1[N+](=O)[O-]	34480131	168284311	/nfs/dbraw/zinc/28/43/11/168284311.db2.gz	OVVBXVJFGCFEFK-UHFFFAOYSA-N	0	0	188.570	1.652	50	5	in-vitro	ADBARN
COc1nc(Cl)ncc1[N+](=O)[O-]	5356826	168284528	/nfs/dbraw/zinc/28/45/28/168284528.db2.gz	JMFJZBKFBHAICF-UHFFFAOYSA-N	0	0	189.558	1.047	50	5	in-vitro	ADBARN
COc1ncc(C)cc1[N+](=O)[O-]	16125171	168286602	/nfs/dbraw/zinc/28/66/02/168286602.db2.gz	QCQICELALGZQRL-UHFFFAOYSA-N	0	0	168.152	1.307	50	5	in-vitro	ADBARN
COc1ncc(Cl)cc1[N+](=O)[O-]	15021653	168286638	/nfs/dbraw/zinc/28/66/38/168286638.db2.gz	HJHWUNVJRITHTQ-UHFFFAOYSA-N	0	0	188.570	1.652	50	5	in-vitro	ADBARN
COc1ncc([N+](=O)[O-])cc1C	8698125	168286658	/nfs/dbraw/zinc/28/66/58/168286658.db2.gz	HEDKXDCXKNQWEX-UHFFFAOYSA-N	0	0	168.152	1.307	50	5	in-vitro	ADBARN
COc1ncc([N+](=O)[O-])cc1F	82046525	168286937	/nfs/dbraw/zinc/28/69/37/168286937.db2.gz	MFNDIYBLZYOOQU-UHFFFAOYSA-N	0	0	172.115	1.138	50	5		ADBARN
COc1ncc([N+](=O)[O-])cc1Cl	71864037	168286983	/nfs/dbraw/zinc/28/69/83/168286983.db2.gz	NYAXJWLJSVLTIX-UHFFFAOYSA-N	0	0	188.570	1.652	50	5		ADBARN
COc1ncc(F)cc1[N+](=O)[O-]	82046594	168287090	/nfs/dbraw/zinc/28/70/90/168287090.db2.gz	AUTWTMWCSZVKJT-UHFFFAOYSA-N	0	0	172.115	1.138	50	5	in-vitro	ADBARN
COc1ncnc(Cl)c1[N+](=O)[O-]	1699125	168287965	/nfs/dbraw/zinc/28/79/65/168287965.db2.gz	YZTJXHWQWCLEJX-UHFFFAOYSA-N	0	0	189.558	1.047	50	5	in-vitro	ADBARN
COc1nccc([N+](=O)[O-])c1Cl	261493966	168288219	/nfs/dbraw/zinc/28/82/19/168288219.db2.gz	MUPXCASLDHKDMW-UHFFFAOYSA-N	0	0	188.570	1.652	50	5		ADBARN
COc1nccc(Cl)c1[N+](=O)[O-]	114831196	168289100	/nfs/dbraw/zinc/28/91/00/168289100.db2.gz	GOLWANFUIKQDLY-UHFFFAOYSA-N	0	0	188.570	1.652	50	5	in-vitro	ADBARN
COc1nccc(C)c1[N+](=O)[O-]	8698246	168289101	/nfs/dbraw/zinc/28/91/01/168289101.db2.gz	BGHDKUHZYJCOQG-UHFFFAOYSA-N	0	0	168.152	1.307	50	5	in-vitro	ADBARN
COc1sccc1[N+](=O)[O-]	39258743	168290074	/nfs/dbraw/zinc/29/00/74/168290074.db2.gz	DMCGGXGEVDUVNE-UHFFFAOYSA-N	0	0	159.166	1.665	50	5		ADBARN
CSC(=C[N+](=O)[O-])SC	1763921	168297046	/nfs/dbraw/zinc/29/70/46/168297046.db2.gz	NXGHEDHQXXXTTP-UHFFFAOYSA-N	0	0	165.239	1.788	50	5	in-vitro	ADBARN
CSc1cc(N)ccc1[N+](=O)[O-]	39374849	168309520	/nfs/dbraw/zinc/30/95/20/168309520.db2.gz	XFYOSPVYWRRWLI-UHFFFAOYSA-N	0	0	184.220	1.899	50	5		ADBARN
CSc1ccc(N)c([N+](=O)[O-])c1	38339184	168311351	/nfs/dbraw/zinc/31/13/51/168311351.db2.gz	LWFOZCFJVOGQAM-UHFFFAOYSA-N	0	0	184.220	1.899	50	5	in-vitro	ADBARN
CSc1ccc([N+](=O)[O-])cn1	5798534	168311866	/nfs/dbraw/zinc/31/18/66/168311866.db2.gz	SUATXLIQPPUGPW-UHFFFAOYSA-N	0	0	170.193	1.712	50	5		ADBARN
CSc1nc(N)c([N+](=O)[O-])s1	4290464	168313827	/nfs/dbraw/zinc/31/38/27/168313827.db2.gz	ZPCLHYJMLDEAHT-UHFFFAOYSA-N	0	0	191.237	1.355	50	5		ADBARN
CSc1cncc([N+](=O)[O-])c1	261493802	168315174	/nfs/dbraw/zinc/31/51/74/168315174.db2.gz	JQXVFOZKSKMGRU-UHFFFAOYSA-N	0	0	170.193	1.712	50	5		ADBARN
CSc1ncc([N+](=O)[O-])cn1	1562217	168315961	/nfs/dbraw/zinc/31/59/61/168315961.db2.gz	APNBIRVIHOWZRZ-UHFFFAOYSA-N	0	0	171.181	1.107	50	5		ADBARN
CSc1ncccc1[N+](=O)[O-]	32133407	168316052	/nfs/dbraw/zinc/31/60/52/168316052.db2.gz	UGZSIPHNDAHATA-UHFFFAOYSA-N	0	0	170.193	1.712	50	5		ADBARN
CSc1ncc([N+](=O)[O-])n1C	5116578	168316487	/nfs/dbraw/zinc/31/64/87/168316487.db2.gz	ZQLIPHIEXOWXGX-UHFFFAOYSA-N	0	0	173.197	1.050	50	5		ADBARN
C[C@@H](C(N)=O)c1ccc([N+](=O)[O-])cc1	579954	168329789	/nfs/dbraw/zinc/32/97/89/168329789.db2.gz	RZSOHJGEQPWDSC-ZCFIWIBFSA-N	0	0	194.190	1.184	50	5		ADBARN
C[C@@H](O)C1([N+](=O)[O-])CCCCC1	2141656	168389556	/nfs/dbraw/zinc/38/95/56/168389556.db2.gz	YIKCHZRYVSLLSN-SSDOTTSWSA-N	0	0	173.212	1.347	50	5		ADBARN
C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1	5276046	168395404	/nfs/dbraw/zinc/39/54/04/168395404.db2.gz	JOSXXYYMPRLBPZ-SSDOTTSWSA-N	0	0	196.206	1.388	50	5		ADBARN
C[C@@H]1CNc2ccc([N+](=O)[O-])cc2O1	83254228	168459150	/nfs/dbraw/zinc/45/91/50/168459150.db2.gz	XGQMNDZPLBYYTB-ZCFIWIBFSA-N	0	0	194.190	1.788	50	5		ADBARN
C[S@](=O)c1cccc([N+](=O)[O-])c1	4963129	168694183	/nfs/dbraw/zinc/69/41/83/168694183.db2.gz	ARRRUECVLDIJAY-GFCCVEGCSA-N	0	0	185.204	1.332	50	5		ADBARN
C[S@](=O)c1ccc([N+](=O)[O-])cc1	12367579	168694591	/nfs/dbraw/zinc/69/45/91/168694591.db2.gz	MLTFFVSGGPGNSP-GFCCVEGCSA-N	0	0	185.204	1.332	50	5		ADBARN
Cc1c(CO)cccc1[N+](=O)[O-]	2567947	168710534	/nfs/dbraw/zinc/71/05/34/168710534.db2.gz	QJANIQCEDPJNLO-UHFFFAOYSA-N	0	0	167.164	1.396	50	5	in-vitro	ADBARN
Cc1c(F)c(N)cc([N+](=O)[O-])c1F	34214759	168712775	/nfs/dbraw/zinc/71/27/75/168712775.db2.gz	IYZXBTUPJKIQIL-UHFFFAOYSA-N	0	0	188.133	1.764	50	5		ADBARN
Cc1c(N)cc(N)cc1[N+](=O)[O-]	1688891	168714274	/nfs/dbraw/zinc/71/42/74/168714274.db2.gz	DFZSBQYOXAUYCB-UHFFFAOYSA-N	0	0	167.168	1.068	50	5	in-man	ADBARN
Cc1cc(C)c([N+](=O)[O-])cc1N	1571073	168740202	/nfs/dbraw/zinc/74/02/02/168740202.db2.gz	DUIOVGPUAJSYCD-UHFFFAOYSA-N	0	0	166.180	1.794	50	5	in-vitro	ADBARN
Cc1cc(CO)ccc1[N+](=O)[O-]	2567948	168758566	/nfs/dbraw/zinc/75/85/66/168758566.db2.gz	KOVQGYQQVNCUBR-UHFFFAOYSA-N	0	0	167.164	1.396	50	5		ADBARN
Cc1cc(N(C)C)ccc1[N+](=O)[O-]	4115619	168763848	/nfs/dbraw/zinc/76/38/48/168763848.db2.gz	QVTZNJKIENBZHG-UHFFFAOYSA-N	0	0	180.207	1.969	50	5		ADBARN
Cc1cc(N)c([N+](=O)[O-])cc1C	3860416	168764330	/nfs/dbraw/zinc/76/43/30/168764330.db2.gz	PINGKGKKUSYUAW-UHFFFAOYSA-N	0	0	166.180	1.794	50	5		ADBARN
Cc1cc([N+](=O)[O-])c(C)cc1N	4088510	168782554	/nfs/dbraw/zinc/78/25/54/168782554.db2.gz	PJAGNJQUIUEGKP-UHFFFAOYSA-N	0	0	166.180	1.794	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])cc(C)c1N	4774432	168784316	/nfs/dbraw/zinc/78/43/16/168784316.db2.gz	NSBSVUUVECHDDX-UHFFFAOYSA-N	0	0	166.180	1.794	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])cnc1F	2383999	168784416	/nfs/dbraw/zinc/78/44/16/168784416.db2.gz	CFKHKTLGKNBEPI-UHFFFAOYSA-N	0	0	156.116	1.437	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])ccc1O	25723409	168784552	/nfs/dbraw/zinc/78/45/52/168784552.db2.gz	KDQPMQNHVQVVMR-UHFFFAOYSA-N	0	0	153.137	1.609	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-]	3847023	168784893	/nfs/dbraw/zinc/78/48/93/168784893.db2.gz	ZOTROWSASXESEG-UHFFFAOYSA-N	0	0	188.570	1.190	50	5		ADBARN
Cc1cc([N+](=O)[O-])n(CC(C)C)n1	95098568	168785207	/nfs/dbraw/zinc/78/52/07/168785207.db2.gz	HMPMUQJLYRZUAI-UHFFFAOYSA-N	0	0	183.211	1.756	50	5		ADBARN
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1562018	168785351	/nfs/dbraw/zinc/78/53/51/168785351.db2.gz	RUIFULUFLANOCI-UHFFFAOYSA-N	0	0	182.135	1.811	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])ccc1C=O	39133543	168785534	/nfs/dbraw/zinc/78/55/34/168785534.db2.gz	ZYHLWYCYBVEMBK-UHFFFAOYSA-N	0	0	165.148	1.716	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N	5361897	168785763	/nfs/dbraw/zinc/78/57/63/168785763.db2.gz	CUUJSCZRXAFXIP-UHFFFAOYSA-N	0	0	197.150	1.394	50	5		ADBARN
Cc1cc2c[nH]nc2cc1[N+](=O)[O-]	14985795	168790459	/nfs/dbraw/zinc/79/04/59/168790459.db2.gz	AZWAXIMNWVYSMP-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
Cc1ccc(/C=C/[N+](=O)[O-])o1	3119557	168797273	/nfs/dbraw/zinc/79/72/73/168797273.db2.gz	YUGJJOVWZWUBQX-SNAWJCMRSA-N	0	0	153.137	1.835	50	5	in-vitro	ADBARN
Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	225599	168801737	/nfs/dbraw/zinc/80/17/37/168801737.db2.gz	YEUGEQUFPMJGCD-UHFFFAOYSA-N	0	0	180.163	1.002	50	5		ADBARN
Cc1ccc(C=O)c([N+](=O)[O-])c1	32189549	168809060	/nfs/dbraw/zinc/80/90/60/168809060.db2.gz	FDYADQPZUDULNK-UHFFFAOYSA-N	0	0	165.148	1.716	50	5	in-vitro	ADBARN
Cc1ccc(F)c([N+](=O)[O-])c1N	95494781	168819694	/nfs/dbraw/zinc/81/96/94/168819694.db2.gz	DCUPOKXMFOUBAP-UHFFFAOYSA-N	0	0	170.143	1.625	50	5		ADBARN
Cc1ccc(N)cc1[N+](=O)[O-]	157566	168823418	/nfs/dbraw/zinc/82/34/18/168823418.db2.gz	GDIIPKWHAQGCJF-UHFFFAOYSA-N	0	0	152.153	1.485	50	5	in-vitro	ADBARN
Cc1ccc(NC(N)=O)c([N+](=O)[O-])c1	5362824	168825306	/nfs/dbraw/zinc/82/53/06/168825306.db2.gz	SIJVYJRLCZOLCS-UHFFFAOYSA-N	0	0	195.178	1.394	50	5		ADBARN
Cc1ccc(NC=O)cc1[N+](=O)[O-]	2164728	168825481	/nfs/dbraw/zinc/82/54/81/168825481.db2.gz	KYAAJMLFXXWUHD-UHFFFAOYSA-N	0	0	180.163	1.472	50	5		ADBARN
Cc1ccc([C@@H](C)O)cc1[N+](=O)[O-]	35598604	168834605	/nfs/dbraw/zinc/83/46/05/168834605.db2.gz	AFEJLWMIIDXXMN-SSDOTTSWSA-N	0	0	181.191	1.957	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])c(C)c1N	1676672	168844920	/nfs/dbraw/zinc/84/49/20/168844920.db2.gz	LDFJDBAOBVUXMQ-UHFFFAOYSA-N	0	0	166.180	1.794	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])c(C)c1CO	38950014	168845085	/nfs/dbraw/zinc/84/50/85/168845085.db2.gz	IBWKCPDCFMRCQJ-UHFFFAOYSA-N	0	0	181.191	1.704	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])c(F)n1	2383996	168845089	/nfs/dbraw/zinc/84/50/89/168845089.db2.gz	BCCWOQXQVNCXKC-UHFFFAOYSA-N	0	0	156.116	1.437	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])cc1N	1648344	168845130	/nfs/dbraw/zinc/84/51/30/168845130.db2.gz	DSBIJCMXAIKKKI-UHFFFAOYSA-N	0	0	152.153	1.485	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1532112	168845147	/nfs/dbraw/zinc/84/51/47/168845147.db2.gz	RMBFBMJGBANMMK-UHFFFAOYSA-N	0	0	182.135	1.811	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])o1	1693511	168845242	/nfs/dbraw/zinc/84/52/42/168845242.db2.gz	VOBFYAXUVBEUGM-UHFFFAOYSA-N	0	0	127.099	1.496	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])c(C)n1	331012	168845267	/nfs/dbraw/zinc/84/52/67/168845267.db2.gz	AETHUDGJSSKZKT-UHFFFAOYSA-N	0	0	152.153	1.607	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])cn1	6276125	168845320	/nfs/dbraw/zinc/84/53/20/168845320.db2.gz	USZINSZJSVMICC-UHFFFAOYSA-N	0	0	138.126	1.298	50	5		ADBARN
Cc1ccc([N+](=O)[O-])cc1	1700067	168845323	/nfs/dbraw/zinc/84/53/23/168845323.db2.gz	ZPTVNYMJQHSSEA-UHFFFAOYSA-N	0	0	137.138	1.903	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])nc1	330898	168845329	/nfs/dbraw/zinc/84/53/29/168845329.db2.gz	FISOVIVSROCTBV-UHFFFAOYSA-N	0	0	138.126	1.298	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])c(NN)c1	39133552	168845354	/nfs/dbraw/zinc/84/53/54/168845354.db2.gz	ZFSWIJVMQFUDEG-UHFFFAOYSA-N	0	0	167.168	1.189	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])cc1CO	3132642	168845424	/nfs/dbraw/zinc/84/54/24/168845424.db2.gz	IBQRNQSJJZLSTK-UHFFFAOYSA-N	0	0	167.164	1.396	50	5		ADBARN
Cc1ccc([N+](=O)[O-])cc1N(C)C	2562565	168845444	/nfs/dbraw/zinc/84/54/44/168845444.db2.gz	BYNBHYLLYPVADZ-UHFFFAOYSA-N	0	0	180.207	1.969	50	5		ADBARN
Cc1ccc([N+](=O)[O-])s1	15784486	168845489	/nfs/dbraw/zinc/84/54/89/168845489.db2.gz	BHCPVWDLDWXIFJ-UHFFFAOYSA-N	0	0	143.167	1.965	50	5		ADBARN
Cc1ccc([N+](=O)[O-])c(CO)c1	2567961	168845501	/nfs/dbraw/zinc/84/55/01/168845501.db2.gz	IKEYTRGLCHZQHO-UHFFFAOYSA-N	0	0	167.164	1.396	50	5		ADBARN
Cc1ccc2nsnc2c1[N+](=O)[O-]	242160	168857975	/nfs/dbraw/zinc/85/79/75/168857975.db2.gz	SMOABKKWZUJQDS-UHFFFAOYSA-N	0	0	195.203	1.908	50	5		ADBARN
Cc1cccc(CO)c1[N+](=O)[O-]	2567951	168865280	/nfs/dbraw/zinc/86/52/80/168865280.db2.gz	NELPTBUSFQMYOB-UHFFFAOYSA-N	0	0	167.164	1.396	50	5	in-vitro	ADBARN
Cc1cccn2c([N+](=O)[O-])cnc12	12955530	168884253	/nfs/dbraw/zinc/88/42/53/168884253.db2.gz	GTWRDQNPSCWDQJ-UHFFFAOYSA-N	0	0	177.163	1.551	50	5		ADBARN
Cc1cn(CC(F)F)nc1[N+](=O)[O-]	72334107	168898505	/nfs/dbraw/zinc/89/85/05/168898505.db2.gz	YVGBEHHESVUJJZ-UHFFFAOYSA-N	0	0	191.137	1.365	50	5		ADBARN
Cc1cn2cc([N+](=O)[O-])ccc2n1	337728	168898670	/nfs/dbraw/zinc/89/86/70/168898670.db2.gz	NAMUPNJGITWKBV-UHFFFAOYSA-N	0	0	177.163	1.551	50	5	in-vitro	ADBARN
Cc1cnc(Cl)cc1[N+](=O)[O-]	72190312	168905152	/nfs/dbraw/zinc/90/51/52/168905152.db2.gz	PEGDFBBVKXPIME-UHFFFAOYSA-N	0	0	172.571	1.952	50	5	in-vitro	ADBARN
Cc1cnn(CC(F)F)c1[N+](=O)[O-]	47474149	168914402	/nfs/dbraw/zinc/91/44/02/168914402.db2.gz	OXFQHDXOXBJMOZ-UHFFFAOYSA-N	0	0	191.137	1.365	50	5		ADBARN
Cc1nc(F)ccc1[N+](=O)[O-]	2384002	168943675	/nfs/dbraw/zinc/94/36/75/168943675.db2.gz	JVLRFRZVCOWBDY-UHFFFAOYSA-N	0	0	156.116	1.437	50	5	in-vitro	ADBARN
Cc1nccc([N+](=O)[O-])c1C	21299925	168972020	/nfs/dbraw/zinc/97/20/20/168972020.db2.gz	WSQGOUOZNCRFNQ-UHFFFAOYSA-N	0	0	152.153	1.607	50	5	in-vitro	ADBARN
Cc1nn(C(C)C)cc1[N+](=O)[O-]	12396652	168982038	/nfs/dbraw/zinc/98/20/38/168982038.db2.gz	DNAWRQUADBGXSR-UHFFFAOYSA-N	0	0	169.184	1.681	50	5	in-vitro	ADBARN
Cc1noc(C)c1[N+](=O)[O-]	2510118	168999135	/nfs/dbraw/zinc/99/91/35/168999135.db2.gz	PMQFLWLYAXYFHG-UHFFFAOYSA-N	0	0	142.114	1.200	50	5	in-vitro	ADBARN
Cc1noc(Cl)c1[N+](=O)[O-]	95883853	169002056	/nfs/dbraw/zinc/00/20/56/169002056.db2.gz	GHCCXOAHHAWPQR-UHFFFAOYSA-N	0	0	162.532	1.545	50	5	in-vitro	ADBARN
Cc1noc2ncc([N+](=O)[O-])cc12	12505377	169002453	/nfs/dbraw/zinc/00/24/53/169002453.db2.gz	UDZPWRQGBDXSOM-UHFFFAOYSA-N	0	0	179.135	1.439	50	5	in-vitro	ADBARN
Cc1nscc1[N+](=O)[O-]	39325918	169006888	/nfs/dbraw/zinc/00/68/88/169006888.db2.gz	FOWVNQQFRSJOLM-UHFFFAOYSA-N	0	0	144.155	1.360	50	5		ADBARN
Cc1onc(/C=C/N(C)C)c1[N+](=O)[O-]	12357667	169013253	/nfs/dbraw/zinc/01/32/53/169013253.db2.gz	MSUVJIWBYIEEMR-SNAWJCMRSA-N	0	0	197.194	1.424	50	5		ADBARN
Cc1sc([N+](=O)[O-])cc1[N+](=O)[O-]	5158802	169015100	/nfs/dbraw/zinc/01/51/00/169015100.db2.gz	HHKDVGAWTPBACD-UHFFFAOYSA-N	0	0	188.164	1.873	50	5	in-vitro	ADBARN
Cc1sc(C(N)=O)cc1[N+](=O)[O-]	251205	169015294	/nfs/dbraw/zinc/01/52/94/169015294.db2.gz	DFQLMQGFILOBCQ-UHFFFAOYSA-N	0	0	186.192	1.064	50	5		ADBARN
Cc1sccc1[N+](=O)[O-]	38890445	169016789	/nfs/dbraw/zinc/01/67/89/169016789.db2.gz	JXSAZTUUUIXCQN-UHFFFAOYSA-N	0	0	143.167	1.965	50	5		ADBARN
Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	32302141	169030292	/nfs/dbraw/zinc/03/02/92/169030292.db2.gz	VUKIKMHYSUVLQB-UHFFFAOYSA-N	0	0	194.146	1.040	50	5		ADBARN
Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	376975	169031227	/nfs/dbraw/zinc/03/12/27/169031227.db2.gz	NEUIGIUWAYOYAM-UHFFFAOYSA-N	0	0	194.146	1.040	50	5	in-vitro	ADBARN
Cn1c(N)nc2cc([N+](=O)[O-])ccc21	63110930	169032280	/nfs/dbraw/zinc/03/22/80/169032280.db2.gz	FJGHRHZKVCFJJE-UHFFFAOYSA-N	0	0	192.178	1.064	50	5		ADBARN
Cn1cc2cc([N+](=O)[O-])ccc2n1	161996	169042913	/nfs/dbraw/zinc/04/29/13/169042913.db2.gz	IWPBWVZEOVCZRX-UHFFFAOYSA-N	0	0	177.163	1.482	50	5	in-vitro	ADBARN
Cn1cc([N+](=O)[O-])c(C(F)(F)F)n1	72209470	169043165	/nfs/dbraw/zinc/04/31/65/169043165.db2.gz	CPAWJRRAMLWWHW-UHFFFAOYSA-N	0	0	195.100	1.347	50	5		ADBARN
Cn1cc2c([N+](=O)[O-])cccc2n1	1719162	169043352	/nfs/dbraw/zinc/04/33/52/169043352.db2.gz	NCSBJAWUBPTMRX-UHFFFAOYSA-N	0	0	177.163	1.482	50	5	in-vitro	ADBARN
Cn1cc2ccc([N+](=O)[O-])cc2n1	1303185	169043512	/nfs/dbraw/zinc/04/35/12/169043512.db2.gz	RJFYXEGJMSZKIR-UHFFFAOYSA-N	0	0	177.163	1.482	50	5	in-vitro	ADBARN
Cn1cc2cccc([N+](=O)[O-])c2n1	1403878	169043556	/nfs/dbraw/zinc/04/35/56/169043556.db2.gz	IFVSROJIKNMTNX-UHFFFAOYSA-N	0	0	177.163	1.482	50	5		ADBARN
Cn1cccc1/C=C/[N+](=O)[O-]	1691991	169047900	/nfs/dbraw/zinc/04/79/00/169047900.db2.gz	NHVYARKRYOUKFA-GQCTYLIASA-N	0	0	152.153	1.273	50	5		ADBARN
Cn1cnc([N+](=O)[O-])c1NC(C)(C)C	4729283	169054885	/nfs/dbraw/zinc/05/48/85/169054885.db2.gz	DTHXWHFWGZINBR-UHFFFAOYSA-N	0	0	198.226	1.539	50	5		ADBARN
Cn1cnc2c([N+](=O)[O-])cccc21	1420641	169055881	/nfs/dbraw/zinc/05/58/81/169055881.db2.gz	RFLMKPLHWAENSE-UHFFFAOYSA-N	0	0	177.163	1.482	50	5	in-vitro	ADBARN
Cn1cnc2cc([N+](=O)[O-])ccc21	1688178	169057099	/nfs/dbraw/zinc/05/70/99/169057099.db2.gz	AMIYGFTVNIDCPN-UHFFFAOYSA-N	0	0	177.163	1.482	50	5	in-vitro	ADBARN
Cn1cnc2cccc([N+](=O)[O-])c21	39200513	169058530	/nfs/dbraw/zinc/05/85/30/169058530.db2.gz	KEABNFLSDJZPEP-UHFFFAOYSA-N	0	0	177.163	1.482	50	5	in-vitro	ADBARN
Cn1cnc2ccc([N+](=O)[O-])cc21	1718703	169058590	/nfs/dbraw/zinc/05/85/90/169058590.db2.gz	HVZQEZDKCBTTTL-UHFFFAOYSA-N	0	0	177.163	1.482	50	5		ADBARN
Cn1nc(N)c2cc([N+](=O)[O-])ccc21	72209465	169061401	/nfs/dbraw/zinc/06/14/01/169061401.db2.gz	WVCBDQKSMZLREY-UHFFFAOYSA-N	0	0	192.178	1.064	50	5	in-vitro	ADBARN
Cn1nc(C2CC2)cc1[N+](=O)[O-]	12397787	169061412	/nfs/dbraw/zinc/06/14/12/169061412.db2.gz	XHBBMAJXJNSUOX-UHFFFAOYSA-N	0	0	167.168	1.206	50	5		ADBARN
Cn1nc([N+](=O)[O-])cc1C1CC1	12397785	169063574	/nfs/dbraw/zinc/06/35/74/169063574.db2.gz	MYNABCXMBFTFDR-UHFFFAOYSA-N	0	0	167.168	1.206	50	5		ADBARN
Cn1ncc2c([N+](=O)[O-])cccc21	1719163	169065615	/nfs/dbraw/zinc/06/56/15/169065615.db2.gz	FGSQGIYFGWQTRE-UHFFFAOYSA-N	0	0	177.163	1.482	50	5	in-vitro	ADBARN
Cn1ncc([N+](=O)[O-])c1C(F)(F)F	72209469	169065636	/nfs/dbraw/zinc/06/56/36/169065636.db2.gz	HGZQFYYNFDAELV-UHFFFAOYSA-N	0	0	195.100	1.347	50	5		ADBARN
Cn1ncc2cc([N+](=O)[O-])ccc21	478190	169065946	/nfs/dbraw/zinc/06/59/46/169065946.db2.gz	JHPMRMBDPINHAV-UHFFFAOYSA-N	0	0	177.163	1.482	50	5	in-vitro	ADBARN
Cn1ncc2ccc([N+](=O)[O-])cc21	1719161	169066750	/nfs/dbraw/zinc/06/67/50/169066750.db2.gz	TUWHJYXETJCCPJ-UHFFFAOYSA-N	0	0	177.163	1.482	50	5	in-vitro	ADBARN
Cn1ncc2cccc([N+](=O)[O-])c21	6072328	169066797	/nfs/dbraw/zinc/06/67/97/169066797.db2.gz	HLSOBULFCLIDKE-UHFFFAOYSA-N	0	0	177.163	1.482	50	5	in-vitro	ADBARN
NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	63793	169146296	/nfs/dbraw/zinc/14/62/96/169146296.db2.gz	QDGXIICOKBFSQX-SNAWJCMRSA-N	0	0	192.174	1.093	50	5		ADBARN
NC(=O)/C=C\c1cccc([N+](=O)[O-])c1	33285288	169146525	/nfs/dbraw/zinc/14/65/25/169146525.db2.gz	QDGXIICOKBFSQX-PLNGDYQASA-N	0	0	192.174	1.093	50	5		ADBARN
NC(=O)CCc1ccc([N+](=O)[O-])cc1	27617072	169150103	/nfs/dbraw/zinc/15/01/03/169150103.db2.gz	HHXQJALCZVMXQS-UHFFFAOYSA-N	0	0	194.190	1.013	50	5		ADBARN
NC(=O)OCc1ccc([N+](=O)[O-])cc1	286090	169160022	/nfs/dbraw/zinc/16/00/22/169160022.db2.gz	FPBOSUGVPBRYCA-UHFFFAOYSA-N	0	0	196.162	1.190	50	5	biogenic	ADBARN
NC(=O)Nc1cccc([N+](=O)[O-])c1	2165136	169160030	/nfs/dbraw/zinc/16/00/30/169160030.db2.gz	UUIRARUHMZIJCV-UHFFFAOYSA-N	0	0	181.151	1.085	50	5	in-vitro	ADBARN
NC(=O)Nc1ccc([N+](=O)[O-])cc1	5339729	169160082	/nfs/dbraw/zinc/16/00/82/169160082.db2.gz	LXXTVGKSGJADFU-UHFFFAOYSA-N	0	0	181.151	1.085	50	5	in-vitro	ADBARN
NC(=S)Nc1ccc([N+](=O)[O-])cc1	5785481	169166010	/nfs/dbraw/zinc/16/60/10/169166010.db2.gz	BLYAANPIHFKKMQ-UHFFFAOYSA-N	0	0	197.219	1.250	50	5	in-vitro	ADBARN
NC(=S)Nc1ccccc1[N+](=O)[O-]	6095143	169166445	/nfs/dbraw/zinc/16/64/45/169166445.db2.gz	FLGZBEKWHFRZNP-UHFFFAOYSA-N	0	0	197.219	1.250	50	5	in-vitro	ADBARN
NC(=S)Nc1cccc([N+](=O)[O-])c1	6511809	169166997	/nfs/dbraw/zinc/16/69/97/169166997.db2.gz	HQEMUQNZGCZHHN-UHFFFAOYSA-N	0	0	197.219	1.250	50	5	in-vitro	ADBARN
NNc1ccc(Cl)cc1[N+](=O)[O-]	5248784	169237420	/nfs/dbraw/zinc/23/74/20/169237420.db2.gz	HMLXAWGHSCTGQJ-UHFFFAOYSA-N	0	0	187.586	1.534	50	5	in-vitro	ADBARN
NNc1cc([N+](=O)[O-])ccc1Cl	333789	169237453	/nfs/dbraw/zinc/23/74/53/169237453.db2.gz	AFLNRUNCZIJHFW-UHFFFAOYSA-N	0	0	187.586	1.534	50	5		ADBARN
NNc1ccc(Cl)c([N+](=O)[O-])c1	88589	169237608	/nfs/dbraw/zinc/23/76/08/169237608.db2.gz	YOFPKAULHAIEJM-UHFFFAOYSA-N	0	0	187.586	1.534	50	5	in-vitro	ADBARN
NNc1ccc(F)c([N+](=O)[O-])c1	37291000	169237731	/nfs/dbraw/zinc/23/77/31/169237731.db2.gz	SAMNPXPIFSGMNP-UHFFFAOYSA-N	0	0	171.131	1.020	50	5	in-vitro	ADBARN
NNc1cc(Cl)ccc1[N+](=O)[O-]	4108265	169237772	/nfs/dbraw/zinc/23/77/72/169237772.db2.gz	PZJAAWBBWCBSNZ-UHFFFAOYSA-N	0	0	187.586	1.534	50	5	in-vitro	ADBARN
NNc1ccc([N+](=O)[O-])cc1F	5511822	169238332	/nfs/dbraw/zinc/23/83/32/169238332.db2.gz	HPCGUKRKBLHYJV-UHFFFAOYSA-N	0	0	171.131	1.020	50	5	in-vitro	ADBARN
NNc1ccc([N+](=O)[O-])cc1Cl	5756851	169238711	/nfs/dbraw/zinc/23/87/11/169238711.db2.gz	JBFZYCIJRNJFOG-UHFFFAOYSA-N	0	0	187.586	1.534	50	5	in-vitro	ADBARN
NNc1cccc(F)c1[N+](=O)[O-]	37418977	169239100	/nfs/dbraw/zinc/23/91/00/169239100.db2.gz	RMKXBMWBKJEDJW-UHFFFAOYSA-N	0	0	171.131	1.020	50	5	in-vitro	ADBARN
NSc1ccccc1[N+](=O)[O-]	1603693	169241564	/nfs/dbraw/zinc/24/15/64/169241564.db2.gz	LOVVSIULYJABJF-UHFFFAOYSA-N	0	0	170.193	1.561	50	5		ADBARN
NSc1ccc([N+](=O)[O-])cc1	1583414	169242246	/nfs/dbraw/zinc/24/22/46/169242246.db2.gz	BKQYUKBIYBVNDJ-UHFFFAOYSA-N	0	0	170.193	1.561	50	5		ADBARN
Nc1c(Cl)cncc1[N+](=O)[O-]	40448768	169282364	/nfs/dbraw/zinc/28/23/64/169282364.db2.gz	IXJAZHZQIPPEDN-UHFFFAOYSA-N	0	0	173.559	1.225	50	5	in-vitro	ADBARN
Nc1c(F)cccc1[N+](=O)[O-]	5784415	169282404	/nfs/dbraw/zinc/28/24/04/169282404.db2.gz	BHWHYGWMNMCXBA-UHFFFAOYSA-N	0	0	156.116	1.316	50	5	in-vitro	ADBARN
Nc1c(F)c(F)cc(F)c1[N+](=O)[O-]	4416631	169282419	/nfs/dbraw/zinc/28/24/19/169282419.db2.gz	BQQVOARSGADABE-UHFFFAOYSA-N	0	0	192.096	1.594	50	5		ADBARN
Nc1c([N+](=O)[O-])ccc2ncccc12	3861129	169282476	/nfs/dbraw/zinc/28/24/76/169282476.db2.gz	TYBYHEXFKFLRFT-UHFFFAOYSA-N	0	0	189.174	1.725	50	5	in-vitro	ADBARN
Nc1c([N+](=O)[O-])ccnc1Cl	44787406	169282686	/nfs/dbraw/zinc/28/26/86/169282686.db2.gz	WYVJCCYMXYVEMI-UHFFFAOYSA-N	0	0	173.559	1.225	50	5	in-vitro	ADBARN
Nc1c(F)cc([N+](=O)[O-])cc1F	4348057	169282751	/nfs/dbraw/zinc/28/27/51/169282751.db2.gz	WDFFWUVELIFAOP-UHFFFAOYSA-N	0	0	174.106	1.455	50	5	in-vitro	ADBARN
Nc1c([N+](=O)[O-])cc(F)c(F)c1F	4269492	169282766	/nfs/dbraw/zinc/28/27/66/169282766.db2.gz	ILENVKAVEFKZSD-UHFFFAOYSA-N	0	0	192.096	1.594	50	5	in-vitro	ADBARN
Nc1c(Cl)cc(F)cc1[N+](=O)[O-]	88077695	169282784	/nfs/dbraw/zinc/28/27/84/169282784.db2.gz	COJJQULUJYCZEP-UHFFFAOYSA-N	0	0	190.561	1.970	50	5	in-vitro	ADBARN
Nc1c(F)cnc(Cl)c1[N+](=O)[O-]	79058225	169282809	/nfs/dbraw/zinc/28/28/09/169282809.db2.gz	MIAHRASZIVBVSA-UHFFFAOYSA-N	0	0	191.549	1.365	50	5	in-vitro	ADBARN
Nc1c([N+](=O)[O-])ccc2nsnc12	4321914	169282900	/nfs/dbraw/zinc/28/29/00/169282900.db2.gz	ZBOFIKFTNZRPGB-UHFFFAOYSA-N	0	0	196.191	1.182	50	5		ADBARN
Nc1c([N+](=O)[O-])ccc(F)c1F	4255263	169282924	/nfs/dbraw/zinc/28/29/24/169282924.db2.gz	DIPGYZSCGXBTEU-UHFFFAOYSA-N	0	0	174.106	1.455	50	5	in-vitro	ADBARN
Nc1c([N+](=O)[O-])cnc2ccccc12	26895565	169282985	/nfs/dbraw/zinc/28/29/85/169282985.db2.gz	SKPRPEJLFKCOAB-UHFFFAOYSA-N	0	0	189.174	1.725	50	5	in-vitro	ADBARN
Nc1c(F)cc(F)c(F)c1[N+](=O)[O-]	15440474	169283011	/nfs/dbraw/zinc/28/30/11/169283011.db2.gz	BREZOWVYIRTYKC-UHFFFAOYSA-N	0	0	192.096	1.594	50	5		ADBARN
Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	3861215	169283101	/nfs/dbraw/zinc/28/31/01/169283101.db2.gz	QFUSCYRJMXLNRB-UHFFFAOYSA-N	0	0	183.123	1.085	50	5	in-vitro	ADBARN
Nc1c(F)cc(Cl)cc1[N+](=O)[O-]	88077705	169283134	/nfs/dbraw/zinc/28/31/34/169283134.db2.gz	HQJZMWXNKCKFBX-UHFFFAOYSA-N	0	0	190.561	1.970	50	5		ADBARN
Nc1c(F)ccc([N+](=O)[O-])c1F	71769220	169283293	/nfs/dbraw/zinc/28/32/93/169283293.db2.gz	NNPVREQNMNPOAK-UHFFFAOYSA-N	0	0	174.106	1.455	50	5	in-vitro	ADBARN
Nc1c(F)cc(F)cc1[N+](=O)[O-]	3876123	169283321	/nfs/dbraw/zinc/28/33/21/169283321.db2.gz	WPEUQAOOZXFRKZ-UHFFFAOYSA-N	0	0	174.106	1.455	50	5	in-vitro	ADBARN
Nc1c([N+](=O)[O-])ccc(F)c1Cl	39953717	169283440	/nfs/dbraw/zinc/28/34/40/169283440.db2.gz	BIYFBTINNKCDBR-UHFFFAOYSA-N	0	0	190.561	1.970	50	5	in-vitro	ADBARN
Nc1c(Cl)cccc1[N+](=O)[O-]	4783201	169283477	/nfs/dbraw/zinc/28/34/77/169283477.db2.gz	VOTXWUCYIOPNNR-UHFFFAOYSA-N	0	0	172.571	1.830	50	5	in-vitro	ADBARN
Nc1c(F)cc([N+](=O)[O-])cc1Cl	95217812	169283488	/nfs/dbraw/zinc/28/34/88/169283488.db2.gz	UHVFEBYNQPWONG-UHFFFAOYSA-N	0	0	190.561	1.970	50	5		ADBARN
Nc1cc(Cl)c([N+](=O)[O-])cc1N	4283764	169284641	/nfs/dbraw/zinc/28/46/41/169284641.db2.gz	LOQLMWFVXRZASN-UHFFFAOYSA-N	0	0	187.586	1.413	50	5		ADBARN
Nc1cc(Cl)c(F)cc1[N+](=O)[O-]	4242521	169285211	/nfs/dbraw/zinc/28/52/11/169285211.db2.gz	VRJKEIWZSOHDOH-UHFFFAOYSA-N	0	0	190.561	1.970	50	5	in-vitro	ADBARN
Nc1cc(Cl)cc([N+](=O)[O-])c1N	33839131	169285892	/nfs/dbraw/zinc/28/58/92/169285892.db2.gz	PIPKLZRJGNJMBY-UHFFFAOYSA-N	0	0	187.586	1.413	50	5		ADBARN
Nc1cc(F)c([N+](=O)[O-])c(F)c1	4348059	169285897	/nfs/dbraw/zinc/28/58/97/169285897.db2.gz	RKBPGWQSTWNFRY-UHFFFAOYSA-N	0	0	174.106	1.455	50	5	in-vitro	ADBARN
Nc1cc(F)c(Cl)cc1[N+](=O)[O-]	38916616	169285919	/nfs/dbraw/zinc/28/59/19/169285919.db2.gz	IVUBVUIBVDTNAT-UHFFFAOYSA-N	0	0	190.561	1.970	50	5	in-vitro	ADBARN
Nc1cc(F)cc(F)c1[N+](=O)[O-]	4416633	169286033	/nfs/dbraw/zinc/28/60/33/169286033.db2.gz	ZULNIHUDSFLCBT-UHFFFAOYSA-N	0	0	174.106	1.455	50	5	in-vitro	ADBARN
Nc1cc(F)c([N+](=O)[O-])cc1Cl	4334594	169286050	/nfs/dbraw/zinc/28/60/50/169286050.db2.gz	LPVHTLPXIISIRD-UHFFFAOYSA-N	0	0	190.561	1.970	50	5	in-vitro	ADBARN
Nc1cc(F)c([N+](=O)[O-])cc1F	4783291	169286205	/nfs/dbraw/zinc/28/62/05/169286205.db2.gz	IBGGCVMFSJQOID-UHFFFAOYSA-N	0	0	174.106	1.455	50	5	in-vitro	ADBARN
Nc1cc(F)c(F)cc1[N+](=O)[O-]	4329304	169286267	/nfs/dbraw/zinc/28/62/67/169286267.db2.gz	WDMCABATCGQAKK-UHFFFAOYSA-N	0	0	174.106	1.455	50	5	in-vitro	ADBARN
Nc1cc(F)cc([N+](=O)[O-])c1	1841289	169286291	/nfs/dbraw/zinc/28/62/91/169286291.db2.gz	OPMFAZASMJCCOQ-UHFFFAOYSA-N	0	0	156.116	1.316	50	5	in-vitro	ADBARN
Nc1cc(Cl)cc([N+](=O)[O-])c1	1587863	169286329	/nfs/dbraw/zinc/28/63/29/169286329.db2.gz	RXAFMJXGEACRGX-UHFFFAOYSA-N	0	0	172.571	1.830	50	5	in-vitro	ADBARN
Nc1cc(F)c(F)c(F)c1[N+](=O)[O-]	71790133	169286334	/nfs/dbraw/zinc/28/63/34/169286334.db2.gz	AZHUGULFZXJYAR-UHFFFAOYSA-N	0	0	192.096	1.594	50	5	in-vitro	ADBARN
Nc1cc(Cl)c([N+](=O)[O-])cn1	14982029	169286544	/nfs/dbraw/zinc/28/65/44/169286544.db2.gz	LHFAJLRJEULFIT-UHFFFAOYSA-N	0	0	173.559	1.225	50	5	in-vitro	ADBARN
Nc1cc(Cl)ncc1[N+](=O)[O-]	15021890	169286579	/nfs/dbraw/zinc/28/65/79/169286579.db2.gz	YKWBEPUOVBMENG-UHFFFAOYSA-N	0	0	173.559	1.225	50	5	in-vitro	ADBARN
Nc1cc(Cl)c([N+](=O)[O-])cc1O	4411144	169286648	/nfs/dbraw/zinc/28/66/48/169286648.db2.gz	ZARYBZGMUVAJMK-UHFFFAOYSA-N	0	0	188.570	1.536	50	5	in-vitro	ADBARN
Nc1cc(Cl)ccc1[N+](=O)[O-]	3852415	169286659	/nfs/dbraw/zinc/28/66/59/169286659.db2.gz	ZCWXYZBQDNFULS-UHFFFAOYSA-N	0	0	172.571	1.830	50	5		ADBARN
Nc1cc(F)ccc1[N+](=O)[O-]	4416634	169286828	/nfs/dbraw/zinc/28/68/28/169286828.db2.gz	PEDMFCHWOVJDNW-UHFFFAOYSA-N	0	0	156.116	1.316	50	5	in-vitro	ADBARN
Nc1cc([N+](=O)[O-])c(F)cc1F	2525308	169287484	/nfs/dbraw/zinc/28/74/84/169287484.db2.gz	LYWNQLCSOFZLOR-UHFFFAOYSA-N	0	0	174.106	1.455	50	5	in-vitro	ADBARN
Nc1cc([N+](=O)[O-])c(N)cc1Cl	15022270	169287595	/nfs/dbraw/zinc/28/75/95/169287595.db2.gz	VUNAQOGRLGNALG-UHFFFAOYSA-N	0	0	187.586	1.413	50	5	in-vitro	ADBARN
Nc1cc([N+](=O)[O-])cc(F)c1F	263624236	169288566	/nfs/dbraw/zinc/28/85/66/169288566.db2.gz	ONYLPOSIBFCBLV-UHFFFAOYSA-N	0	0	174.106	1.455	50	5		ADBARN
Nc1cc2c([N+](=O)[O-])cccc2o1	4837203	169288764	/nfs/dbraw/zinc/28/87/64/169288764.db2.gz	HKWMBFHZAMTVQK-UHFFFAOYSA-N	0	0	178.147	1.923	50	5		ADBARN
Nc1cc([N+](=O)[O-])ccc1F	164646	169289128	/nfs/dbraw/zinc/28/91/28/169289128.db2.gz	KJVBJICWGQIMOZ-UHFFFAOYSA-N	0	0	156.116	1.316	50	5	in-vitro	ADBARN
Nc1cc([N+](=O)[O-])c2occc2c1	40457355	169289153	/nfs/dbraw/zinc/28/91/53/169289153.db2.gz	BXDGOSCCNOIKMF-UHFFFAOYSA-N	0	0	178.147	1.923	50	5		ADBARN
Nc1cc([N+](=O)[O-])ccc1Cl	1688375	169289227	/nfs/dbraw/zinc/28/92/27/169289227.db2.gz	KWIXNFOTNVKIGM-UHFFFAOYSA-N	0	0	172.571	1.830	50	5		ADBARN
Nc1cc([N+](=O)[O-])ccc1NC1CC1	48018512	169289250	/nfs/dbraw/zinc/28/92/50/169289250.db2.gz	PHCMNECVJVGQIF-UHFFFAOYSA-N	0	0	193.206	1.751	50	5		ADBARN
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1555408	169289324	/nfs/dbraw/zinc/28/93/24/169289324.db2.gz	MPBZUKLDHPOCLS-UHFFFAOYSA-N	0	0	183.123	1.085	50	5		ADBARN
Nc1cc2c(cc1[N+](=O)[O-])CCC2	3883647	169289397	/nfs/dbraw/zinc/28/93/97/169289397.db2.gz	HLUYEDQKIFUIIP-UHFFFAOYSA-N	0	0	178.191	1.666	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])c(F)c1	5701094	169293561	/nfs/dbraw/zinc/29/35/61/169293561.db2.gz	KKQPNAPYVIIXFB-UHFFFAOYSA-N	0	0	156.116	1.316	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])c(Cl)n1	33886209	169293619	/nfs/dbraw/zinc/29/36/19/169293619.db2.gz	XVJLWPXRQLPUPT-UHFFFAOYSA-N	0	0	173.559	1.225	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])cc1Cl	3860833	169293655	/nfs/dbraw/zinc/29/36/55/169293655.db2.gz	LOCWBQIWHWIRGN-UHFFFAOYSA-N	0	0	172.571	1.830	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3860429	169293739	/nfs/dbraw/zinc/29/37/39/169293739.db2.gz	LXQOQPGNCGEELI-UHFFFAOYSA-N	0	0	183.123	1.085	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])c(Cl)c1	4578814	169293745	/nfs/dbraw/zinc/29/37/45/169293745.db2.gz	LDSIOPGMLLPSSR-UHFFFAOYSA-N	0	0	172.571	1.830	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	5161708	169293786	/nfs/dbraw/zinc/29/37/86/169293786.db2.gz	IPZPZSUDOPUDPM-UHFFFAOYSA-N	0	0	183.123	1.085	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])c2ccncc12	38220774	169293879	/nfs/dbraw/zinc/29/38/79/169293879.db2.gz	VDIJWKAJKMDAKC-UHFFFAOYSA-N	0	0	189.174	1.725	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])c2cnccc12	6996037	169294062	/nfs/dbraw/zinc/29/40/62/169294062.db2.gz	QKGFZLNYZKMJBQ-UHFFFAOYSA-N	0	0	189.174	1.725	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])c(N)c1Cl	71613061	169294132	/nfs/dbraw/zinc/29/41/32/169294132.db2.gz	NTLGTOMYCVBTHT-UHFFFAOYSA-N	0	0	187.586	1.413	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])c2ncccc12	4623254	169294160	/nfs/dbraw/zinc/29/41/60/169294160.db2.gz	HUJXJGQTEDKYER-UHFFFAOYSA-N	0	0	189.174	1.725	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])c(F)c1F	96032772	169294196	/nfs/dbraw/zinc/29/41/96/169294196.db2.gz	ODGMXVVBWISCHB-UHFFFAOYSA-N	0	0	174.106	1.455	50	5	in-vitro	ADBARN
Nc1ccc([N+](=O)[O-])cc1F	4348113	169294199	/nfs/dbraw/zinc/29/41/99/169294199.db2.gz	LETNCFZQCNCACQ-UHFFFAOYSA-N	0	0	156.116	1.316	50	5	in-vitro	ADBARN
Nc1ccc2cc([N+](=O)[O-])ccc2n1	20272685	169294615	/nfs/dbraw/zinc/29/46/15/169294615.db2.gz	IBWOBEUJEJNYOA-UHFFFAOYSA-N	0	0	189.174	1.725	50	5	in-vitro	ADBARN
Nc1ccc2scnc2c1[N+](=O)[O-]	35344710	169295387	/nfs/dbraw/zinc/29/53/87/169295387.db2.gz	VIAMARGNYJIAPP-UHFFFAOYSA-N	0	0	195.203	1.787	50	5		ADBARN
Nc1ccc2nsnc2c1[N+](=O)[O-]	4141276	169295471	/nfs/dbraw/zinc/29/54/71/169295471.db2.gz	SXLUTZNXOOLBTK-UHFFFAOYSA-N	0	0	196.191	1.182	50	5		ADBARN
Nc1cccc(F)c1[N+](=O)[O-]	16158504	169296452	/nfs/dbraw/zinc/29/64/52/169296452.db2.gz	NSFGNLQLWFZHKK-UHFFFAOYSA-N	0	0	156.116	1.316	50	5	in-vitro	ADBARN
Nc1cccc(Cl)c1[N+](=O)[O-]	4253196	169296550	/nfs/dbraw/zinc/29/65/50/169296550.db2.gz	YADOEPHJIBKBCN-UHFFFAOYSA-N	0	0	172.571	1.830	50	5	in-vitro	ADBARN
Nc1cccc([N+](=O)[O-])c1F	5784424	169297336	/nfs/dbraw/zinc/29/73/36/169297336.db2.gz	NGFSHIJLJGVNTO-UHFFFAOYSA-N	0	0	156.116	1.316	50	5	in-vitro	ADBARN
Nc1cccc([N+](=O)[O-])c1[N+](=O)[O-]	3852563	169297522	/nfs/dbraw/zinc/29/75/22/169297522.db2.gz	CGNBQYFXGQHUQP-UHFFFAOYSA-N	0	0	183.123	1.085	50	5	in-vitro	ADBARN
Nc1cccc([N+](=O)[O-])c1	47987	169297607	/nfs/dbraw/zinc/29/76/07/169297607.db2.gz	XJCVRTZCHMZPBD-UHFFFAOYSA-N	0	0	138.126	1.177	50	5	in-vitro	ADBARN
Nc1cccc([N+](=O)[O-])c1Cl	2570060	169298073	/nfs/dbraw/zinc/29/80/73/169298073.db2.gz	CMYQDOILKQVRGN-UHFFFAOYSA-N	0	0	172.571	1.830	50	5	in-vitro	ADBARN
Nc1ccccc1[N+](=O)[O-]	3860642	169298209	/nfs/dbraw/zinc/29/82/09/169298209.db2.gz	DPJCXCZTLWNFOH-UHFFFAOYSA-N	0	0	138.126	1.177	50	5	in-vitro	ADBARN
Nc1ccnc(Cl)c1[N+](=O)[O-]	19851344	169299239	/nfs/dbraw/zinc/29/92/39/169299239.db2.gz	PDQAWJXOYURKPI-UHFFFAOYSA-N	0	0	173.559	1.225	50	5		ADBARN
Nc1ccsc1[N+](=O)[O-]	5662524	169301007	/nfs/dbraw/zinc/30/10/07/169301007.db2.gz	GADHYUUHHGADGT-UHFFFAOYSA-N	0	0	144.155	1.239	50	5		ADBARN
Nc1cnc2c([N+](=O)[O-])cccc2c1	84308527	169301496	/nfs/dbraw/zinc/30/14/96/169301496.db2.gz	FSRWHNLTQBQFHI-UHFFFAOYSA-N	0	0	189.174	1.725	50	5	in-vitro	ADBARN
Nc1cnc2cc([N+](=O)[O-])ccc2c1	215773364	169301693	/nfs/dbraw/zinc/30/16/93/169301693.db2.gz	HUJJWUMLUCSAAI-UHFFFAOYSA-N	0	0	189.174	1.725	50	5		ADBARN
Nc1cnc2ccc([N+](=O)[O-])cc2c1	84308522	169302122	/nfs/dbraw/zinc/30/21/22/169302122.db2.gz	YBLUOPYUXMSESW-UHFFFAOYSA-N	0	0	189.174	1.725	50	5		ADBARN
Nc1cnc2cccc([N+](=O)[O-])c2c1	84308524	169302163	/nfs/dbraw/zinc/30/21/63/169302163.db2.gz	SRERDBOBCFEVHH-UHFFFAOYSA-N	0	0	189.174	1.725	50	5		ADBARN
Nc1cncc2cc([N+](=O)[O-])ccc12	253532765	169302775	/nfs/dbraw/zinc/30/27/75/169302775.db2.gz	AHGKBXGLBSMGQH-UHFFFAOYSA-N	0	0	189.174	1.725	50	5		ADBARN
Nc1n[nH]c2cc([N+](=O)[O-])ccc12	66322758	169303592	/nfs/dbraw/zinc/30/35/92/169303592.db2.gz	GUQMGUUEHIUELS-UHFFFAOYSA-N	0	0	178.151	1.053	50	5		ADBARN
Nc1n[nH]c2ccc([N+](=O)[O-])cc12	3883874	169303872	/nfs/dbraw/zinc/30/38/72/169303872.db2.gz	SWZRTDLKPZAFDT-UHFFFAOYSA-N	0	0	178.151	1.053	50	5	in-vitro	ADBARN
Nc1nc(Cl)ccc1[N+](=O)[O-]	18996093	169305275	/nfs/dbraw/zinc/30/52/75/169305275.db2.gz	WERABQRUGJIMKQ-UHFFFAOYSA-N	0	0	173.559	1.225	50	5	in-vitro	ADBARN
Nc1nc(NC2CC2)ccc1[N+](=O)[O-]	86830304	169305553	/nfs/dbraw/zinc/30/55/53/169305553.db2.gz	ULZBBNBTDFLRSO-UHFFFAOYSA-N	0	0	194.194	1.146	50	5		ADBARN
Nc1nc(Cl)c([N+](=O)[O-])s1	34450349	169306234	/nfs/dbraw/zinc/30/62/34/169306234.db2.gz	CQQXMAUNJJIUJE-UHFFFAOYSA-N	0	0	179.588	1.287	50	5		ADBARN
Nc1nc2cc([N+](=O)[O-])ccc2s1	227029	169306446	/nfs/dbraw/zinc/30/64/46/169306446.db2.gz	FISVWAMPAATJLP-UHFFFAOYSA-N	0	0	195.203	1.787	50	5	in-vitro	ADBARN
Nc1nc([N+](=O)[O-])ccc1Cl	71256960	169306456	/nfs/dbraw/zinc/30/64/56/169306456.db2.gz	KMDAGMZDJCSCAK-UHFFFAOYSA-N	0	0	173.559	1.225	50	5	in-vitro	ADBARN
Nc1nc2cc([N+](=O)[O-])ccc2o1	1615409	169306501	/nfs/dbraw/zinc/30/65/01/169306501.db2.gz	QHVCONQZXJPGQZ-UHFFFAOYSA-N	0	0	179.135	1.318	50	5	in-vitro	ADBARN
Nc1nc2c([N+](=O)[O-])cccc2o1	71981122	169307117	/nfs/dbraw/zinc/30/71/17/169307117.db2.gz	GLYRPQRCQMLKSM-UHFFFAOYSA-N	0	0	179.135	1.318	50	5		ADBARN
Nc1nc2cccc([N+](=O)[O-])c2[nH]1	4649673	169307125	/nfs/dbraw/zinc/30/71/25/169307125.db2.gz	XESOPFLAXBXTSQ-UHFFFAOYSA-N	0	0	178.151	1.053	50	5		ADBARN
Nc1nc2cc([N+](=O)[O-])ccc2[nH]1	17105710	169307136	/nfs/dbraw/zinc/30/71/36/169307136.db2.gz	HSEDDANFWUMVCY-UHFFFAOYSA-N	0	0	178.151	1.053	50	5	in-vitro	ADBARN
Nc1nc2c([N+](=O)[O-])cccc2s1	17302259	169307328	/nfs/dbraw/zinc/30/73/28/169307328.db2.gz	XPYJFCKUPMJFHE-UHFFFAOYSA-N	0	0	195.203	1.787	50	5		ADBARN
Nc1nc2ccc([N+](=O)[O-])cc2o1	39191142	169307599	/nfs/dbraw/zinc/30/75/99/169307599.db2.gz	UHYVXILHAMUPRP-UHFFFAOYSA-N	0	0	179.135	1.318	50	5		ADBARN
Nc1nc2cccc([N+](=O)[O-])c2s1	5582627	169307670	/nfs/dbraw/zinc/30/76/70/169307670.db2.gz	JMRCAIHFSHXPPH-UHFFFAOYSA-N	0	0	195.203	1.787	50	5	in-vitro	ADBARN
Nc1nc2ncc([N+](=O)[O-])cc2s1	79052143	169307735	/nfs/dbraw/zinc/30/77/35/169307735.db2.gz	BNIUQTPBTCPKEQ-UHFFFAOYSA-N	0	0	196.191	1.182	50	5		ADBARN
Nc1ncc(Cl)cc1[N+](=O)[O-]	19015102	169307773	/nfs/dbraw/zinc/30/77/73/169307773.db2.gz	GILTXHIJUUIMPI-UHFFFAOYSA-N	0	0	173.559	1.225	50	5	in-vitro	ADBARN
Nc1nc2ccc([N+](=O)[O-])cc2s1	16051229	169308278	/nfs/dbraw/zinc/30/82/78/169308278.db2.gz	GPNAVOJCQIEKQF-UHFFFAOYSA-N	0	0	195.203	1.787	50	5	in-vitro	ADBARN
Nc1nc2ccccc2cc1[N+](=O)[O-]	19929643	169308395	/nfs/dbraw/zinc/30/83/95/169308395.db2.gz	JQUPBDWYDNZJQC-UHFFFAOYSA-N	0	0	189.174	1.725	50	5		ADBARN
Nc1nccc2cc([N+](=O)[O-])ccc12	90367523	169308466	/nfs/dbraw/zinc/30/84/66/169308466.db2.gz	JTRXGAXNRZCOSO-UHFFFAOYSA-N	0	0	189.174	1.725	50	5	in-vitro	ADBARN
Nc1ncc([N+](=O)[O-])cc1Cl	35635867	169308565	/nfs/dbraw/zinc/30/85/65/169308565.db2.gz	QVPFLVIBWRFJDL-UHFFFAOYSA-N	0	0	173.559	1.225	50	5	in-vitro	ADBARN
Nc1ncc2cc([N+](=O)[O-])ccc2n1	71257108	169308662	/nfs/dbraw/zinc/30/86/62/169308662.db2.gz	GVIKGAWHOIFUFB-UHFFFAOYSA-N	0	0	190.162	1.120	50	5		ADBARN
Nc1nccc2c([N+](=O)[O-])cccc12	5541166	169308705	/nfs/dbraw/zinc/30/87/05/169308705.db2.gz	SRYUOKQAZJCHNX-UHFFFAOYSA-N	0	0	189.174	1.725	50	5	in-vitro	ADBARN
Nc1ncc([N+](=O)[O-])c2ccccc12	39633950	169308883	/nfs/dbraw/zinc/30/88/83/169308883.db2.gz	WXHUUCJIMGGFHE-UHFFFAOYSA-N	0	0	189.174	1.725	50	5		ADBARN
Nc1nccc(Cl)c1[N+](=O)[O-]	22048227	169309383	/nfs/dbraw/zinc/30/93/83/169309383.db2.gz	DIRINUVNYFAWQF-UHFFFAOYSA-N	0	0	173.559	1.225	50	5	in-vitro	ADBARN
Nc1ncc2cc3ccccc3nc2n1	12404969	169309402	/nfs/dbraw/zinc/30/94/02/169309402.db2.gz	IYGDHZNUZSJLLJ-UHFFFAOYSA-N	0	0	196.213	1.760	50	5	in-vitro	ADBARN
Nc1noc2cc([N+](=O)[O-])ccc12	67175721	169311862	/nfs/dbraw/zinc/31/18/62/169311862.db2.gz	LOKHBIVWILMMIW-UHFFFAOYSA-N	0	0	179.135	1.318	50	5	in-vitro	ADBARN
Nc1noc2ccc([N+](=O)[O-])cc12	39168521	169311991	/nfs/dbraw/zinc/31/19/91/169311991.db2.gz	KIQGBLRPXXDRBZ-UHFFFAOYSA-N	0	0	179.135	1.318	50	5	in-vitro	ADBARN
Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-]	4073051	169312509	/nfs/dbraw/zinc/31/25/09/169312509.db2.gz	DZRZHFOFVWAKGT-UHFFFAOYSA-N	0	0	189.152	1.147	50	5	in-vitro	ADBARN
Nc1nsc2ccc([N+](=O)[O-])cc12	4276628	169312525	/nfs/dbraw/zinc/31/25/25/169312525.db2.gz	LDTCWISGJYTXDC-UHFFFAOYSA-N	0	0	195.203	1.787	50	5	in-vitro	ADBARN
O=C(CC[N+](=O)[O-])c1ccccc1	22129820	169318326	/nfs/dbraw/zinc/31/83/26/169318326.db2.gz	PMBFWZPQKKUBSU-UHFFFAOYSA-N	0	0	179.175	1.536	50	5		ADBARN
O=C(CF)c1cccc([N+](=O)[O-])c1	38338716	169320670	/nfs/dbraw/zinc/32/06/70/169320670.db2.gz	RCWJMAXPPJAFCJ-UHFFFAOYSA-N	0	0	183.138	1.747	50	5		ADBARN
O=C1CCOc2cc([N+](=O)[O-])ccc21	39616662	169374802	/nfs/dbraw/zinc/37/48/02/169374802.db2.gz	LSJDOYAXWWYHPO-UHFFFAOYSA-N	0	0	193.158	1.560	50	5		ADBARN
O=C1CCNc2c1cccc2[N+](=O)[O-]	39203759	169374855	/nfs/dbraw/zinc/37/48/55/169374855.db2.gz	PCQISHBRUSQWSH-UHFFFAOYSA-N	0	0	192.174	1.593	50	5		ADBARN
O=C1CCNc2ccc([N+](=O)[O-])cc21	68575561	169374877	/nfs/dbraw/zinc/37/48/77/169374877.db2.gz	VUGQRUWCTOCECD-UHFFFAOYSA-N	0	0	192.174	1.593	50	5		ADBARN
O=C1CCOc2ccc([N+](=O)[O-])cc21	6829264	169374917	/nfs/dbraw/zinc/37/49/17/169374917.db2.gz	KUAWMWVXZMQZLD-UHFFFAOYSA-N	0	0	193.158	1.560	50	5	in-vitro	ADBARN
O=C1CCc2c1cccc2[N+](=O)[O-]	6185515	169376730	/nfs/dbraw/zinc/37/67/30/169376730.db2.gz	QIIWEVWPOBNGLP-UHFFFAOYSA-N	0	0	177.159	1.724	50	5		ADBARN
O=C1CCc2ccc([N+](=O)[O-])cc21	1757053	169377045	/nfs/dbraw/zinc/37/70/45/169377045.db2.gz	MLRACZPAMDFORH-UHFFFAOYSA-N	0	0	177.159	1.724	50	5	in-vitro	ADBARN
O=C1CCc2cc([N+](=O)[O-])ccc2N1	5344589	169377274	/nfs/dbraw/zinc/37/72/74/169377274.db2.gz	NQMSVHWAVMTBHK-UHFFFAOYSA-N	0	0	192.174	1.480	50	5	in-vitro	ADBARN
O=C1Cc2ccc([N+](=O)[O-])cc2N1	66338878	169383916	/nfs/dbraw/zinc/38/39/16/169383916.db2.gz	WYCVARGVMCGNMC-UHFFFAOYSA-N	0	0	178.147	1.089	50	5	in-vitro	ADBARN
O=C1Cc2c(cccc2[N+](=O)[O-])N1	66338881	169383933	/nfs/dbraw/zinc/38/39/33/169383933.db2.gz	ZNBQKWDTXBXIID-UHFFFAOYSA-N	0	0	178.147	1.089	50	5	in-vitro	ADBARN
O=C1Cc2ccc([N+](=O)[O-])cc2C1	1420785	169383971	/nfs/dbraw/zinc/38/39/71/169383971.db2.gz	VSEBFWRYDORZJI-UHFFFAOYSA-N	0	0	177.159	1.263	50	5	in-vitro	ADBARN
O=C1Cc2cccc([N+](=O)[O-])c2N1	21301600	169384177	/nfs/dbraw/zinc/38/41/77/169384177.db2.gz	VGANBSWHOYEFKJ-UHFFFAOYSA-N	0	0	178.147	1.089	50	5	in-vitro	ADBARN
O=C1Cc2cc([N+](=O)[O-])ccc2N1	4368908	169384183	/nfs/dbraw/zinc/38/41/83/169384183.db2.gz	JQCGHRDKVZPCRO-UHFFFAOYSA-N	0	0	178.147	1.089	50	5	in-vitro	ADBARN
O=C1Nc2ccc([N+](=O)[O-])cc2CO1	38647235	169390342	/nfs/dbraw/zinc/39/03/42/169390342.db2.gz	NLLUNRCIKRPYMQ-UHFFFAOYSA-N	0	0	194.146	1.657	50	5		ADBARN
O=C1OCc2c1cc(F)cc2[N+](=O)[O-]	85224321	169392187	/nfs/dbraw/zinc/39/21/87/169392187.db2.gz	JBLFHMWQMPVDDL-UHFFFAOYSA-N	0	0	197.121	1.404	50	5	in-vitro	ADBARN
O=C1OCc2ccc([N+](=O)[O-])cc21	161476	169392205	/nfs/dbraw/zinc/39/22/05/169392205.db2.gz	RNWGZXAHUPFXLL-UHFFFAOYSA-N	0	0	179.131	1.265	50	5		ADBARN
O=C1OCc2c1cccc2[N+](=O)[O-]	984366	169392211	/nfs/dbraw/zinc/39/22/11/169392211.db2.gz	NTPUVQUUAYGRHK-UHFFFAOYSA-N	0	0	179.131	1.265	50	5	in-vitro	ADBARN
O=C1OCc2cccc([N+](=O)[O-])c21	382872	169392315	/nfs/dbraw/zinc/39/23/15/169392315.db2.gz	BFIGXRQYMBKAIR-UHFFFAOYSA-N	0	0	179.131	1.265	50	5		ADBARN
O=CN1CCc2ccc([N+](=O)[O-])cc21	1609572	169398644	/nfs/dbraw/zinc/39/86/44/169398644.db2.gz	MHMYRSLSPGQNPB-UHFFFAOYSA-N	0	0	192.174	1.114	50	5	in-vitro	ADBARN
O=CNc1ccc([N+](=O)[O-])cc1	4536531	169399213	/nfs/dbraw/zinc/39/92/13/169399213.db2.gz	ZTCQFVRINYOPOH-UHFFFAOYSA-N	0	0	166.136	1.163	50	5		ADBARN
O=CNc1ccccc1[N+](=O)[O-]	4774924	169399289	/nfs/dbraw/zinc/39/92/89/169399289.db2.gz	BZYJTNRRZYHLMH-UHFFFAOYSA-N	0	0	166.136	1.163	50	5		ADBARN
O=CNc1cccc([N+](=O)[O-])c1	5944441	169399325	/nfs/dbraw/zinc/39/93/25/169399325.db2.gz	QCDUUALALDXTAD-UHFFFAOYSA-N	0	0	166.136	1.163	50	5	in-vitro	ADBARN
O=Cc1n[nH]c2ccc([N+](=O)[O-])cc12	14983545	169401007	/nfs/dbraw/zinc/40/10/07/169401007.db2.gz	UVUPPLXBIXJRKD-UHFFFAOYSA-N	0	0	191.146	1.284	50	5	in-vitro	ADBARN
O=Cc1c(F)cccc1[N+](=O)[O-]	21298200	169402541	/nfs/dbraw/zinc/40/25/41/169402541.db2.gz	LMTKLMMRJDNPFT-UHFFFAOYSA-N	0	0	169.111	1.546	50	5	in-vitro	ADBARN
O=Cc1cc(F)cc([N+](=O)[O-])c1F	95930279	169403014	/nfs/dbraw/zinc/40/30/14/169403014.db2.gz	WGHZJFNNDXXIGU-UHFFFAOYSA-N	0	0	187.101	1.686	50	5		ADBARN
O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2023192	169403486	/nfs/dbraw/zinc/40/34/86/169403486.db2.gz	YCTNWTBGSOCMRO-UHFFFAOYSA-N	0	0	196.118	1.316	50	5	in-vitro	ADBARN
O=Cc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]	85223478	169403528	/nfs/dbraw/zinc/40/35/28/169403528.db2.gz	MCQDLKFHFLTMAM-UHFFFAOYSA-N	0	0	196.118	1.316	50	5		ADBARN
O=Cc1ccc(F)cc1[N+](=O)[O-]	1627046	169405185	/nfs/dbraw/zinc/40/51/85/169405185.db2.gz	ORCGMGUNVGVHDN-UHFFFAOYSA-N	0	0	169.111	1.546	50	5	in-vitro	ADBARN
O=Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	5427031	169405187	/nfs/dbraw/zinc/40/51/87/169405187.db2.gz	HWEAXMDJIUCDRB-UHFFFAOYSA-N	0	0	196.118	1.316	50	5	in-vitro	ADBARN
O=Cc1nc2ccccn2c1[N+](=O)[O-]	82389856	169407781	/nfs/dbraw/zinc/40/77/81/169407781.db2.gz	CTQZKZVVZRWOFS-UHFFFAOYSA-N	0	0	191.146	1.055	50	5		ADBARN
O=[N+]([O-])C(Cl)(Cl)Cl	17263524	169412629	/nfs/dbraw/zinc/41/26/29/169412629.db2.gz	LFHISGNCFUNFFM-UHFFFAOYSA-N	0	0	164.375	1.591	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(SCCO)cc1	2528162	169413143	/nfs/dbraw/zinc/41/31/43/169413143.db2.gz	RVYZERYSWJUUJY-UHFFFAOYSA-N	0	0	199.231	1.679	50	5		ADBARN
O=[N+]([O-])c1ccc(F)cc1F	164453	169413167	/nfs/dbraw/zinc/41/31/67/169413167.db2.gz	RJXOVESYJFXCGI-UHFFFAOYSA-N	0	0	159.091	1.873	50	5		ADBARN
O=[N+]([O-])c1ccc(N2CCCC2)cn1	95829270	169413217	/nfs/dbraw/zinc/41/32/17/169413217.db2.gz	MAWFVJPOHVJQDM-UHFFFAOYSA-N	0	0	193.206	1.590	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(NO)c([N+](=O)[O-])c1	38171406	169413224	/nfs/dbraw/zinc/41/32/24/169413224.db2.gz	IHUQJPKASFTOBM-UHFFFAOYSA-N	0	0	199.122	1.304	50	5		ADBARN
O=[N+]([O-])c1ccc(F)nc1	1628309	169413259	/nfs/dbraw/zinc/41/32/59/169413259.db2.gz	XOZAJNLUAODXSP-UHFFFAOYSA-N	0	0	142.089	1.129	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(F)cc1CO	36757677	169413266	/nfs/dbraw/zinc/41/32/66/169413266.db2.gz	CWOZQRGVHQIIJL-UHFFFAOYSA-N	0	0	171.127	1.226	50	5	in-vitro	ADBARN
O=C1CC=C([N+](=O)[O-])S1	100046430	169413272	/nfs/dbraw/zinc/41/32/72/169413272.db2.gz	GNHWEXWXFCWNKY-UHFFFAOYSA-N	0	0	145.139	1.362	50	5		ADBARN
O=[N+]([O-])c1ccc(-c2ncon2)cc1	166804	169413280	/nfs/dbraw/zinc/41/32/80/169413280.db2.gz	KWOHXJCKLMGBFD-UHFFFAOYSA-N	0	0	191.146	1.645	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2n[nH]cc2c1	156104	169413335	/nfs/dbraw/zinc/41/33/35/169413335.db2.gz	WSGURAYTCUVDQL-UHFFFAOYSA-N	0	0	163.136	1.471	50	5	in-vivo	ADBARN
O=[N+]([O-])c1ccc(-n2cnnc2)cc1	4774855	169413395	/nfs/dbraw/zinc/41/33/95/169413395.db2.gz	ZERNWUNKACPDHD-UHFFFAOYSA-N	0	0	190.162	1.176	50	5		ADBARN
O=[N+]([O-])c1ccc(C2=NCCO2)cc1	1685188	169413396	/nfs/dbraw/zinc/41/33/96/169413396.db2.gz	MPQNFLWWBYWJGE-UHFFFAOYSA-N	0	0	192.174	1.372	50	5		ADBARN
O=[N+]([O-])c1ccc(Cl)c(CO)c1	160595	169413451	/nfs/dbraw/zinc/41/34/51/169413451.db2.gz	NNLQYDLTFRXAKD-UHFFFAOYSA-N	0	0	187.582	1.741	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(CCCCO)cc1	2567963	169413476	/nfs/dbraw/zinc/41/34/76/169413476.db2.gz	MFYJBAQONVFIFC-UHFFFAOYSA-N	0	0	195.218	1.910	50	5		ADBARN
O=[N+]([O-])c1ccc([C@@H]2CO2)cc1	1020829	169413623	/nfs/dbraw/zinc/41/36/23/169413623.db2.gz	YKIUTLHCSNCTDZ-QMMMGPOBSA-N	0	0	165.148	1.666	50	5	in-vivo	ADBARN
O=[N+]([O-])c1ccc(Cl)cn1	1580803	169413630	/nfs/dbraw/zinc/41/36/30/169413630.db2.gz	YUBHMOQVHOODEI-UHFFFAOYSA-N	0	0	158.544	1.643	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(CO)s1	1574807	169413765	/nfs/dbraw/zinc/41/37/65/169413765.db2.gz	QYNOWSBTIMNUDS-UHFFFAOYSA-N	0	0	159.166	1.149	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccccc1-c1cc[nH]n1	16125271	169413850	/nfs/dbraw/zinc/41/38/50/169413850.db2.gz	LNRBQCSTNUDDGL-UHFFFAOYSA-N	0	0	189.174	1.985	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccn2c(Cl)cnc12	32233840	169413858	/nfs/dbraw/zinc/41/38/58/169413858.db2.gz	ZFEQCVZXCWHLDL-UHFFFAOYSA-N	0	0	197.581	1.896	50	5		ADBARN
O=[N+]([O-])c1cccc([C@@H]2CO2)c1	13549854	169413877	/nfs/dbraw/zinc/41/38/77/169413877.db2.gz	VVZFDVJTIOLMKC-QMMMGPOBSA-N	0	0	165.148	1.666	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccn(CC(F)(F)F)n1	2534804	169413883	/nfs/dbraw/zinc/41/38/83/169413883.db2.gz	WXENTULJTLWZQX-UHFFFAOYSA-N	0	0	195.100	1.354	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(CO)c1F	21982577	169413899	/nfs/dbraw/zinc/41/38/99/169413899.db2.gz	OWEPNYHVJVFJRO-UHFFFAOYSA-N	0	0	171.127	1.226	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(F)c1	1690401	169413919	/nfs/dbraw/zinc/41/39/19/169413919.db2.gz	WMASLRCNNKMRFP-UHFFFAOYSA-N	0	0	141.101	1.734	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccccc1CCCO	59103463	169413964	/nfs/dbraw/zinc/41/39/64/169413964.db2.gz	LJHJJGAQQGSPRL-UHFFFAOYSA-N	0	0	181.191	1.520	50	5		ADBARN
O=[N+]([O-])c1cccc(-c2nnco2)c1	4030573	169413990	/nfs/dbraw/zinc/41/39/90/169413990.db2.gz	NSIRBOSXFXTYQL-UHFFFAOYSA-N	0	0	191.146	1.645	50	5		ADBARN
O=[N+]([O-])c1cccc(CO)c1	157457	169414001	/nfs/dbraw/zinc/41/40/01/169414001.db2.gz	CWNPOQFCIIFQDM-UHFFFAOYSA-N	0	0	153.137	1.087	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccnn1C1CCCC1	12397062	169414150	/nfs/dbraw/zinc/41/41/50/169414150.db2.gz	KJHJYEMYLGROER-UHFFFAOYSA-N	0	0	181.195	1.906	50	5		ADBARN
O=[N+]([O-])c1ccc2oc(CO)cc2c1	14007936	169414211	/nfs/dbraw/zinc/41/42/11/169414211.db2.gz	SAIWPSXAGFHMTA-UHFFFAOYSA-N	0	0	193.158	1.833	50	5		ADBARN
O=[N+]([O-])c1cccc2cnncc12	16678684	169414241	/nfs/dbraw/zinc/41/42/41/169414241.db2.gz	NWASGBYNFZVASN-UHFFFAOYSA-N	0	0	175.147	1.538	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccnc1Cl	164421	169414256	/nfs/dbraw/zinc/41/42/56/169414256.db2.gz	UUOLETYDNTVQDY-UHFFFAOYSA-N	0	0	158.544	1.643	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccccc1CCO	2018917	169414260	/nfs/dbraw/zinc/41/42/60/169414260.db2.gz	SLRIOXRBAPBGEI-UHFFFAOYSA-N	0	0	167.164	1.130	50	5		ADBARN
O=[N+]([O-])c1cccc(C2OCCO2)c1	1679029	169414295	/nfs/dbraw/zinc/41/42/95/169414295.db2.gz	YOGPCAYIEHLIMG-UHFFFAOYSA-N	0	0	195.174	1.640	50	5		ADBARN
O=[N+]([O-])c1ccccc1-c1nnco1	14988029	169414337	/nfs/dbraw/zinc/41/43/37/169414337.db2.gz	WXKRXSFMMMXAKR-UHFFFAOYSA-N	0	0	191.146	1.645	50	5		ADBARN
O=[N+]([O-])c1cccc(OC[C@H]2CO2)c1	1555597	169414430	/nfs/dbraw/zinc/41/44/30/169414430.db2.gz	CNJLXLVVZBTEOC-VIFPVBQESA-N	0	0	195.174	1.372	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccnc2[nH]ccc12	14984910	169414481	/nfs/dbraw/zinc/41/44/81/169414481.db2.gz	ULDUNXDRDOJMJZ-UHFFFAOYSA-N	0	0	163.136	1.471	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccco1	1689931	169414486	/nfs/dbraw/zinc/41/44/86/169414486.db2.gz	FUBFWTUFPGFHOJ-UHFFFAOYSA-N	0	0	113.072	1.188	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2nnsc12	4181906	169414526	/nfs/dbraw/zinc/41/45/26/169414526.db2.gz	CYBPSFVWDPEVTJ-UHFFFAOYSA-N	0	0	181.176	1.600	50	5		ADBARN
O=[N+]([O-])c1ccccc1OC[C@@H]1CO1	1576997	169414570	/nfs/dbraw/zinc/41/45/70/169414570.db2.gz	SMKKEOQDQNCTGL-ZETCQYMHSA-N	0	0	195.174	1.372	50	5		ADBARN
O=[N+]([O-])c1cccc([C@H]2C[C@@H](O)C2)c1	238853073	169414642	/nfs/dbraw/zinc/41/46/42/169414642.db2.gz	IGSLJEPUFNWWQH-WAAGHKOSSA-N	0	0	193.202	1.833	50	5		ADBARN
O=[N+]([O-])c1cnc(F)c(F)c1	21981786	169414845	/nfs/dbraw/zinc/41/48/45/169414845.db2.gz	YJBQJGQRNAZQPG-UHFFFAOYSA-N	0	0	160.079	1.268	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnn(-c2ccccc2)c1	3852720	169414882	/nfs/dbraw/zinc/41/48/82/169414882.db2.gz	IATFOGDERDNVMS-UHFFFAOYSA-N	0	0	189.174	1.781	50	5		ADBARN
O=[N+]([O-])c1cnc2ccc(Cl)cn12	196349517	169414892	/nfs/dbraw/zinc/41/48/92/169414892.db2.gz	ZQQURVJZGGESQS-UHFFFAOYSA-N	0	0	197.581	1.896	50	5		ADBARN
O=[N+]([O-])c1cnc(C2CC2)nc1Cl	66323426	169415108	/nfs/dbraw/zinc/41/51/08/169415108.db2.gz	RFRZIHJJDFTCPG-UHFFFAOYSA-N	0	0	199.597	1.916	50	5		ADBARN
O=[N+]([O-])c1cnc(-n2cccc2)s1	91037	169415111	/nfs/dbraw/zinc/41/51/11/169415111.db2.gz	FBBKAZWKRCHADI-UHFFFAOYSA-N	0	0	195.203	1.842	50	5		ADBARN
O=[N+]([O-])c1c[nH]nc1C(F)(F)F	4243631	169415112	/nfs/dbraw/zinc/41/51/12/169415112.db2.gz	FFTRSILXQBIOTB-UHFFFAOYSA-N	0	0	181.073	1.337	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnc2sccn12	13211747	169415116	/nfs/dbraw/zinc/41/51/16/169415116.db2.gz	OSKRVUVSNCGKIB-UHFFFAOYSA-N	0	0	169.165	1.304	50	5		ADBARN
O=[N+]([O-])c1cnccc1F	2599078	169415118	/nfs/dbraw/zinc/41/51/18/169415118.db2.gz	ITEDEJJEXBFZGM-UHFFFAOYSA-N	0	0	142.089	1.129	50	5	in-vitro	ADBARN
O=c1[nH]cc([N+](=O)[O-])c2ccccc12	8691827	169417550	/nfs/dbraw/zinc/41/75/50/169417550.db2.gz	HBIRBNQMLAPWOH-UHFFFAOYSA-N	0	0	190.158	1.436	50	5	in-vitro	ADBARN
O=c1[nH]ccc2ccc([N+](=O)[O-])cc12	82767313	169418034	/nfs/dbraw/zinc/41/80/34/169418034.db2.gz	YJZDQXBQGAXXGP-UHFFFAOYSA-N	0	0	190.158	1.436	50	5		ADBARN
O=c1cc[nH]c2ccc([N+](=O)[O-])cc12	5103456	169418338	/nfs/dbraw/zinc/41/83/38/169418338.db2.gz	MGCGVNRWZOHFTO-UHFFFAOYSA-N	0	0	190.158	1.436	50	5		ADBARN
O=c1ccc2cc([N+](=O)[O-])ccc2[nH]1	4257197	169420147	/nfs/dbraw/zinc/42/01/47/169420147.db2.gz	OYLJUJGLDPDXHP-UHFFFAOYSA-N	0	0	190.158	1.436	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(OCC2CC2)nc1	139853114	343996744	/nfs/dbraw/zinc/99/67/44/343996744.db2.gz	IZMMKBJUWXJPJI-UHFFFAOYSA-N	0	0	194.190	1.779	50	5		ADBARN
O=C1O[C@H](C[N+](=O)[O-])c2ccccc21	167754	170992805	/nfs/dbraw/zinc/99/28/05/170992805.db2.gz	UMCCJTPPLWDHLK-MRVPVSSYSA-N	0	0	193.158	1.175	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)ccc1F	164551	170992817	/nfs/dbraw/zinc/99/28/17/170992817.db2.gz	XNJAYQHWXYJBBD-UHFFFAOYSA-N	0	0	159.091	1.873	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2nccnc2c1	167696	170992960	/nfs/dbraw/zinc/99/29/60/170992960.db2.gz	YLKFDRWBZAALPN-UHFFFAOYSA-N	0	0	175.147	1.538	50	5	in-vitro	ADBARN
O=C1O[C@@H](C[N+](=O)[O-])c2ccccc21	167756	170993090	/nfs/dbraw/zinc/99/30/90/170993090.db2.gz	UMCCJTPPLWDHLK-QMMMGPOBSA-N	0	0	193.158	1.175	50	5	in-vitro	ADBARN
C[N+](C)(C)c1ccc(C(=O)[O-])cc1	301412	170993639	/nfs/dbraw/zinc/99/36/39/170993639.db2.gz	XPULRSZBSCQUTI-UHFFFAOYSA-O	0	0	180.227	1.582	50	5		ADBARN
O=[N+]([O-])c1ccc2c(c1)COCC2	481055	170995236	/nfs/dbraw/zinc/99/52/36/170995236.db2.gz	YGESIJUSNLKASY-UHFFFAOYSA-N	0	0	179.175	1.668	50	5		ADBARN
O=[N+]([O-])c1n[nH]cc1Br	1049759	170995949	/nfs/dbraw/zinc/99/59/49/170995949.db2.gz	WEQNDTYVEHMMMX-UHFFFAOYSA-N	0	0	191.972	1.080	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)OCO2	566580	170996338	/nfs/dbraw/zinc/99/63/38/170996338.db2.gz	SNWQAKNKGGOVMO-UHFFFAOYSA-N	0	0	167.120	1.324	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)C[C@H](O)C2	1435972	170997057	/nfs/dbraw/zinc/99/70/57/170997057.db2.gz	VAPGHIYRAUSHOH-SECBINFHSA-N	0	0	179.175	1.054	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)C[C@@H](O)C2	1435971	170997178	/nfs/dbraw/zinc/99/71/78/170997178.db2.gz	VAPGHIYRAUSHOH-VIFPVBQESA-N	0	0	179.175	1.054	50	5	in-vitro	ADBARN
Cc1ccnc(Cl)c1[N+](=O)[O-]	1595321	170998397	/nfs/dbraw/zinc/99/83/97/170998397.db2.gz	JHARVUVBTAAPLA-UHFFFAOYSA-N	0	0	172.571	1.952	50	5	in-vitro	ADBARN
O=[N+]([O-])/C=C/c1ccc([N+](=O)[O-])cc1	1608652	170998615	/nfs/dbraw/zinc/99/86/15/170998615.db2.gz	HABXLWPUIWFTNM-AATRIKPKSA-N	0	0	194.146	1.842	50	5	in-vitro	ADBARN
O=[N+]([O-])Cc1ccccc1	1666770	170999419	/nfs/dbraw/zinc/99/94/19/170999419.db2.gz	VLZLOWPYUQHHCG-UHFFFAOYSA-N	0	0	137.138	1.463	50	5	in-vitro	ADBARN
O=[N+]([O-])CCCCCC[N+](=O)[O-]	1666961	170999447	/nfs/dbraw/zinc/99/94/47/170999447.db2.gz	YXBHCFHBPVLHEZ-UHFFFAOYSA-N	0	0	176.172	1.100	50	5		ADBARN
O=[N+]([O-])c1ccc2conc2c1	1654173	170999530	/nfs/dbraw/zinc/99/95/30/170999530.db2.gz	VXUKBYHFZXHKFY-UHFFFAOYSA-N	0	0	164.120	1.736	50	5		ADBARN
O=[N+]([O-])c1c[nH]c2ncnc(Cl)c12	1680585	171000389	/nfs/dbraw/zinc/00/03/89/171000389.db2.gz	FTYXRILYMGQZIW-UHFFFAOYSA-N	0	0	198.569	1.520	50	5		ADBARN
O=[N+]([O-])/C=C/c1ccccc1O	1688684	171000920	/nfs/dbraw/zinc/00/09/20/171000920.db2.gz	PMDYAIGGZBRBFX-AATRIKPKSA-N	0	0	165.148	1.640	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)cc(F)c1	1706151	171001285	/nfs/dbraw/zinc/00/12/85/171001285.db2.gz	AUQBBDWDLJSKMI-UHFFFAOYSA-N	0	0	159.091	1.873	50	5		ADBARN
Nc1ccc(F)c([N+](=O)[O-])c1	1706159	171001381	/nfs/dbraw/zinc/00/13/81/171001381.db2.gz	LLIOADBCFIXIEU-UHFFFAOYSA-N	0	0	156.116	1.316	50	5	in-vitro	ADBARN
O=[N+]([O-])CCc1ccco1	1733890	171001879	/nfs/dbraw/zinc/00/18/79/171001879.db2.gz	CXQAMTGSMRTUTH-UHFFFAOYSA-N	0	0	141.126	1.099	50	5		ADBARN
O=[N+]([O-])c1cc(O)ccc1Cl	1746714	171001947	/nfs/dbraw/zinc/00/19/47/171001947.db2.gz	JUIKCULGDIZNDI-UHFFFAOYSA-N	0	0	173.555	1.954	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(O)cc2cccnc12	1747022	171002155	/nfs/dbraw/zinc/00/21/55/171002155.db2.gz	AZDVQVFOHUFHOP-UHFFFAOYSA-N	0	0	190.158	1.849	50	5		ADBARN
CC(=O)CCC(C)(C)[N+](=O)[O-]	1733899	171002394	/nfs/dbraw/zinc/00/23/94/171002394.db2.gz	QWHNMIXUSPUHGO-UHFFFAOYSA-N	0	0	159.185	1.411	50	5		ADBARN
[O-][N+]12CC[N+]([O-])(CC1)c1ccccc12	2027325	171004317	/nfs/dbraw/zinc/00/43/17/171004317.db2.gz	YFJRCEVULCRSMH-UHFFFAOYSA-N	0	0	192.218	1.324	50	5		ADBARN
O=[N+]([O-])/C=C/c1ccccc1[N+](=O)[O-]	2169230	171004528	/nfs/dbraw/zinc/00/45/28/171004528.db2.gz	INIQBBVYBCGEIX-AATRIKPKSA-N	0	0	194.146	1.842	50	5		ADBARN
O=[N+]([O-])/C=C/c1cccc(O)c1	2244055	171004618	/nfs/dbraw/zinc/00/46/18/171004618.db2.gz	DHTXBJQMDPODIB-SNAWJCMRSA-N	0	0	165.148	1.640	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(Cl)ccc1CO	2166807	171004826	/nfs/dbraw/zinc/00/48/26/171004826.db2.gz	OAHGNOHGHOTZQU-UHFFFAOYSA-N	0	0	187.582	1.741	50	5		ADBARN
O=[N+]([O-])/C=C/C1CCCC1	2173473	171004929	/nfs/dbraw/zinc/00/49/29/171004929.db2.gz	QJUJQXPQQYTYQZ-AATRIKPKSA-N	0	0	141.170	1.967	50	5		ADBARN
O=[N+]([O-])c1cc(CO)ccc1F	2386143	171005244	/nfs/dbraw/zinc/00/52/44/171005244.db2.gz	MKWJZTFMDWSRIH-UHFFFAOYSA-N	0	0	171.127	1.226	50	5	in-vitro	ADBARN
O=[N+]([O-])c1c(Cl)cccc1CO	2525470	171006053	/nfs/dbraw/zinc/00/60/53/171006053.db2.gz	ZSMDJSXEFYWXPD-UHFFFAOYSA-N	0	0	187.582	1.741	50	5		ADBARN
Cc1ccnc(F)c1[N+](=O)[O-]	2526730	171006338	/nfs/dbraw/zinc/00/63/38/171006338.db2.gz	AUHFWLUBEJKXLN-UHFFFAOYSA-N	0	0	156.116	1.437	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(CO)ccc1Cl	2567941	171007318	/nfs/dbraw/zinc/00/73/18/171007318.db2.gz	QLLRQJDSYJIXTN-UHFFFAOYSA-N	0	0	187.582	1.741	50	5	in-vitro	ADBARN
O=[N+]([O-])c1c(F)cccc1F	2557001	171007367	/nfs/dbraw/zinc/00/73/67/171007367.db2.gz	SSNCMIDZGFCTST-UHFFFAOYSA-N	0	0	159.091	1.873	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ncccc1F	2598978	171008661	/nfs/dbraw/zinc/00/86/61/171008661.db2.gz	IJVFHCSUEBAAOZ-UHFFFAOYSA-N	0	0	142.089	1.129	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(Cl)ccn1	2599006	171008690	/nfs/dbraw/zinc/00/86/90/171008690.db2.gz	YPKBJRKFGYVURL-UHFFFAOYSA-N	0	0	158.544	1.643	50	5	in-vitro	ADBARN
Nc1ccc(Cl)cc1[N+](=O)[O-]	3860834	171010151	/nfs/dbraw/zinc/01/01/51/171010151.db2.gz	PBGKNXWGYQPUJK-UHFFFAOYSA-N	0	0	172.571	1.830	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)NCCO2	3883877	171010277	/nfs/dbraw/zinc/01/02/77/171010277.db2.gz	GZAJZBARYACGSO-UHFFFAOYSA-N	0	0	180.163	1.399	50	5	in-vitro	ADBARN
O=Cc1ccc(C=O)c([N+](=O)[O-])c1	3845218	171010350	/nfs/dbraw/zinc/01/03/50/171010350.db2.gz	XKJZDFJGFMPBBG-UHFFFAOYSA-N	0	0	179.131	1.220	50	5	in-vitro	ADBARN
CNc1ccc(C=O)cc1[N+](=O)[O-]	3886141	171010457	/nfs/dbraw/zinc/01/04/57/171010457.db2.gz	PUJBBHWWDARUJE-UHFFFAOYSA-N	0	0	180.163	1.449	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)CCCN2	3888997	171010858	/nfs/dbraw/zinc/01/08/58/171010858.db2.gz	ASVYHMUYLBMSKW-UHFFFAOYSA-N	0	0	178.191	1.953	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)C=NCC2	4181907	171011211	/nfs/dbraw/zinc/01/12/11/171011211.db2.gz	GVHORNVRKMSZLA-UHFFFAOYSA-N	0	0	176.175	1.570	50	5		ADBARN
Nc1ccc(Cl)c([N+](=O)[O-])c1N	4107963	171011227	/nfs/dbraw/zinc/01/12/27/171011227.db2.gz	OHIUWWQDSMTIFW-UHFFFAOYSA-N	0	0	187.586	1.413	50	5		ADBARN
O=[N+]([O-])c1ccc2c[nH]nc2c1	4127238	171011284	/nfs/dbraw/zinc/01/12/84/171011284.db2.gz	ORZRMRUXSPNQQL-UHFFFAOYSA-N	0	0	163.136	1.471	50	5	in-vivo	ADBARN
CC(=O)Nc1cc(C)ccc1[N+](=O)[O-]	4127885	171011287	/nfs/dbraw/zinc/01/12/87/171011287.db2.gz	PNLDBAVNZVQRLS-UHFFFAOYSA-N	0	0	194.190	1.862	50	5		ADBARN
O=[N+]([O-])c1ccc2c(c1)CCN2	4043641	171011382	/nfs/dbraw/zinc/01/13/82/171011382.db2.gz	WJQWYAJTPPYORB-UHFFFAOYSA-N	0	0	164.164	1.563	50	5	in-vitro	ADBARN
CNc1ccc(F)cc1[N+](=O)[O-]	4255988	171012150	/nfs/dbraw/zinc/01/21/50/171012150.db2.gz	QELGNVHWXQYICY-UHFFFAOYSA-N	0	0	170.143	1.776	50	5	in-vitro	ADBARN
O=[N+]([O-])CC1=CCCCC1	4285346	171012271	/nfs/dbraw/zinc/01/22/71/171012271.db2.gz	KEELANLBFIOZSH-UHFFFAOYSA-N	0	0	141.170	1.764	50	5		ADBARN
Nc1ccc(F)cc1[N+](=O)[O-]	4261952	171012384	/nfs/dbraw/zinc/01/23/84/171012384.db2.gz	PUGDHSSOXPHLPT-UHFFFAOYSA-N	0	0	156.116	1.316	50	5	in-vitro	ADBARN
O=[N+]([O-])C1=CCCCC1	4528664	171013156	/nfs/dbraw/zinc/01/31/56/171013156.db2.gz	DJBRXNRKYAWTBL-UHFFFAOYSA-N	0	0	127.143	1.721	50	5	in-vitro	ADBARN
O=S=Nc1ccc([N+](=O)[O-])cc1	4538699	171013227	/nfs/dbraw/zinc/01/32/27/171013227.db2.gz	VFCGVVBHMYTZSL-UHFFFAOYSA-N	0	0	184.176	1.623	50	5		ADBARN
Nc1ccc2nc[nH]c2c1[N+](=O)[O-]	4343078	171013339	/nfs/dbraw/zinc/01/33/39/171013339.db2.gz	ZMXPHHJHUIOKJB-UHFFFAOYSA-N	0	0	178.151	1.053	50	5		ADBARN
O=[N+]([O-])c1nc[nH]c1Br	4714979	171014215	/nfs/dbraw/zinc/01/42/15/171014215.db2.gz	KSEFBYAEHWXHLM-UHFFFAOYSA-N	0	0	191.972	1.080	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2[nH]cnc2c1	4693007	171014240	/nfs/dbraw/zinc/01/42/40/171014240.db2.gz	XPAZGLFMMUODDK-UHFFFAOYSA-N	0	0	163.136	1.471	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)OCCCO2	4837073	171014597	/nfs/dbraw/zinc/01/45/97/171014597.db2.gz	DYLOYOGDBJZJDV-UHFFFAOYSA-N	0	0	195.174	1.756	50	5	in-vitro	ADBARN
CNc1ccc(C)cc1[N+](=O)[O-]	4823072	171014864	/nfs/dbraw/zinc/01/48/64/171014864.db2.gz	PQRIBMJCGDIAFK-UHFFFAOYSA-N	0	0	166.180	1.945	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2[nH]c(=S)[nH]c2c1	5124323	171015782	/nfs/dbraw/zinc/01/57/82/171015782.db2.gz	YPXQSGWOGQPLQO-UHFFFAOYSA-N	0	0	195.203	1.760	50	5	in-vitro	ADBARN
O=[N+]([O-])c1n[nH]c(-c2ccccc2)n1	5667946	171017106	/nfs/dbraw/zinc/01/71/06/171017106.db2.gz	JIQXYZDYMPQCBG-UHFFFAOYSA-N	0	0	190.162	1.380	50	5		ADBARN
CC(=O)Nc1cccc([N+](=O)[O-])c1C	5537132	171017456	/nfs/dbraw/zinc/01/74/56/171017456.db2.gz	NMYFXIITWKKOKY-UHFFFAOYSA-N	0	0	194.190	1.862	50	5	in-vitro	ADBARN
CC/C=C/[N+](=O)[O-]	5761952	171018188	/nfs/dbraw/zinc/01/81/88/171018188.db2.gz	UTANVCZNJLPXGK-ONEGZZNKSA-N	0	0	101.105	1.187	50	5		ADBARN
O=[N+]([O-])c1ccc2c(ccc[n+]2[O-])c1	5845646	171019067	/nfs/dbraw/zinc/01/90/67/171019067.db2.gz	FABIKJYANKLSLU-UHFFFAOYSA-N	0	0	190.158	1.381	50	5		ADBARN
O=[N+]([O-])C1CCCCC1	8100868	171021374	/nfs/dbraw/zinc/02/13/74/171021374.db2.gz	NJNQUTDUIPVROZ-UHFFFAOYSA-N	0	0	129.159	1.596	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)cnc1Cl	8698159	171021889	/nfs/dbraw/zinc/02/18/89/171021889.db2.gz	SVVZGNAZMPSGMU-UHFFFAOYSA-N	0	0	176.534	1.782	50	5	in-vitro	ADBARN
COc1ccc(O)cc1[N+](=O)[O-]	8700313	171021911	/nfs/dbraw/zinc/02/19/11/171021911.db2.gz	AADXAMFLYDYIFS-UHFFFAOYSA-N	0	0	169.136	1.309	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)ccn1	8698171	171021986	/nfs/dbraw/zinc/02/19/86/171021986.db2.gz	LBLMBLVHTJEEDZ-UHFFFAOYSA-N	0	0	142.089	1.129	50	5		ADBARN
C[S@@](=O)c1cccc([N+](=O)[O-])c1	8628074	171022328	/nfs/dbraw/zinc/02/23/28/171022328.db2.gz	ARRRUECVLDIJAY-LBPRGKRZSA-N	0	0	185.204	1.332	50	5		ADBARN
O=[N+]([O-])c1cc(C2CC2)[nH]n1	12396626	171025834	/nfs/dbraw/zinc/02/58/34/171025834.db2.gz	CTSMOTWWAYPQLU-UHFFFAOYSA-N	0	0	153.141	1.195	50	5		ADBARN
O=[N+]([O-])c1nc2ccccc2[n-]1	13284835	171026666	/nfs/dbraw/zinc/02/66/66/171026666.db2.gz	KRTDQDCPEZRVGC-UHFFFAOYSA-N	0	0	163.136	1.471	50	5		ADBARN
O=[N+]([O-])c1c[nH]c2ncccc12	14007927	171028127	/nfs/dbraw/zinc/02/81/27/171028127.db2.gz	DTLVPICXPRRMOQ-UHFFFAOYSA-N	0	0	163.136	1.471	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)cc2n[nH]cc12	14983258	171028897	/nfs/dbraw/zinc/02/88/97/171028897.db2.gz	ZLWWUZPPDBZERM-UHFFFAOYSA-N	0	0	181.126	1.610	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)c2c[nH]nc2c1	14983247	171029241	/nfs/dbraw/zinc/02/92/41/171029241.db2.gz	ODZQPOTVNLDEJS-UHFFFAOYSA-N	0	0	181.126	1.610	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(Cl)cnc1F	15442494	171029763	/nfs/dbraw/zinc/02/97/63/171029763.db2.gz	QYRFYYRMUFOIKW-UHFFFAOYSA-N	0	0	176.534	1.782	50	5	in-vitro	ADBARN
Cc1ccnc(C)c1[N+](=O)[O-]	16125318	171030532	/nfs/dbraw/zinc/03/05/32/171030532.db2.gz	MOQKFCFVTVIJJS-UHFFFAOYSA-N	0	0	152.153	1.607	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)OCCN2	19769972	171035715	/nfs/dbraw/zinc/03/57/15/171035715.db2.gz	YKCFDUNYLMTXFC-UHFFFAOYSA-N	0	0	180.163	1.399	50	5	in-vitro	ADBARN
CC(=O)Nc1c(F)cccc1[N+](=O)[O-]	22005261	171041058	/nfs/dbraw/zinc/04/10/58/171041058.db2.gz	CXDCWGIDRFMMPX-UHFFFAOYSA-N	0	0	198.153	1.692	50	5		ADBARN
O=[N+]([O-])c1ccc2cnoc2c1	26567330	171044751	/nfs/dbraw/zinc/04/47/51/171044751.db2.gz	WIYPTBLUSSLGIV-UHFFFAOYSA-N	0	0	164.120	1.736	50	5		ADBARN
O=[N+]([O-])c1ccc2c(c1)NCCN2	26896085	171045961	/nfs/dbraw/zinc/04/59/61/171045961.db2.gz	ZVDCYZVYRXZJQF-UHFFFAOYSA-N	0	0	179.179	1.432	50	5	in-vitro	ADBARN
O=[N+]([O-])c1n[nH]c2ccccc12	39208463	171046728	/nfs/dbraw/zinc/04/67/28/171046728.db2.gz	OWIRCRREDNEXTA-UHFFFAOYSA-N	0	0	163.136	1.471	50	5		ADBARN
NC(=S)c1ccc([N+](=O)[O-])cc1	30836485	171048323	/nfs/dbraw/zinc/04/83/23/171048323.db2.gz	MDBQPBMIZPCKAJ-UHFFFAOYSA-N	0	0	182.204	1.229	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc2c(Cl)nccn2c1	30678436	171048857	/nfs/dbraw/zinc/04/88/57/171048857.db2.gz	OTWHUHVUMPHTOY-UHFFFAOYSA-N	0	0	197.581	1.896	50	5		ADBARN
O=[N+]([O-])c1ccc2c(c1)[C@@H](O)CC2	34268586	171053628	/nfs/dbraw/zinc/05/36/28/171053628.db2.gz	VHQKWLILGPELQO-VIFPVBQESA-N	0	0	179.175	1.574	50	5		ADBARN
O=[N+]([O-])c1ccc2c(c1)[C@H](O)CC2	34268585	171054011	/nfs/dbraw/zinc/05/40/11/171054011.db2.gz	VHQKWLILGPELQO-SECBINFHSA-N	0	0	179.175	1.574	50	5		ADBARN
O=[N+]([O-])c1cc(CO)cnc1Cl	34480133	171055560	/nfs/dbraw/zinc/05/55/60/171055560.db2.gz	QLRNYXFFYULBME-UHFFFAOYSA-N	0	0	188.570	1.136	50	5		ADBARN
O=[N+]([O-])c1cc(CCO)ccc1F	34427549	171056052	/nfs/dbraw/zinc/05/60/52/171056052.db2.gz	MSAVICSPFQKRGG-UHFFFAOYSA-N	0	0	185.154	1.269	50	5		ADBARN
O=[N+]([O-])c1c(F)ccnc1F	34545681	171056407	/nfs/dbraw/zinc/05/64/07/171056407.db2.gz	BEWIQKYGRIAYST-UHFFFAOYSA-N	0	0	160.079	1.268	50	5	in-vitro	ADBARN
O=[N+]([O-])Cc1ccc(F)cc1	34596368	171056692	/nfs/dbraw/zinc/05/66/92/171056692.db2.gz	VKIQQWYWDWKJQB-UHFFFAOYSA-N	0	0	155.128	1.602	50	5		ADBARN
O=[N+]([O-])c1nccnc1Cl	34765275	171057424	/nfs/dbraw/zinc/05/74/24/171057424.db2.gz	WFJAKBGXNXBMLL-UHFFFAOYSA-N	0	0	159.532	1.038	50	5		ADBARN
NC(=S)c1cccc([N+](=O)[O-])c1	36378507	171060607	/nfs/dbraw/zinc/06/06/07/171060607.db2.gz	HDQCHDWHHGEXQE-UHFFFAOYSA-N	0	0	182.204	1.229	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc2c[nH]nc2cc1F	36533702	171061616	/nfs/dbraw/zinc/06/16/16/171061616.db2.gz	CQWPKRSNPVUHQA-UHFFFAOYSA-N	0	0	181.126	1.610	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(CO)c(F)cc1F	37180275	171063302	/nfs/dbraw/zinc/06/33/02/171063302.db2.gz	VPJNXLNSNZEHSQ-UHFFFAOYSA-N	0	0	189.117	1.365	50	5	in-vitro	ADBARN
O=Cc1cccc(F)c1[N+](=O)[O-]	37597605	171065110	/nfs/dbraw/zinc/06/51/10/171065110.db2.gz	RJXDOIOYJGQGQH-UHFFFAOYSA-N	0	0	169.111	1.546	50	5	in-vitro	ADBARN
O=Cc1cccc([N+](=O)[O-])c1F	38949425	171070477	/nfs/dbraw/zinc/07/04/77/171070477.db2.gz	WLDHPJSICUOHTH-UHFFFAOYSA-N	0	0	169.111	1.546	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc2c(cc1[O-])OCCO2	38950957	171070651	/nfs/dbraw/zinc/07/06/51/171070651.db2.gz	LRHFGBDYKMSVMK-UHFFFAOYSA-N	0	0	197.146	1.072	50	5		ADBARN
O=[N+]([O-])c1cc(F)cnc1F	39088847	171074181	/nfs/dbraw/zinc/07/41/81/171074181.db2.gz	VGMUUROJPIKOIB-UHFFFAOYSA-N	0	0	160.079	1.268	50	5		ADBARN
O=[N+]([O-])c1ccc2c(c1)CCOC2	39116803	171075720	/nfs/dbraw/zinc/07/57/20/171075720.db2.gz	RTBMEWOVRPAVMS-UHFFFAOYSA-N	0	0	179.175	1.668	50	5	in-vitro	ADBARN
O=[N+]([O-])C1(Br)CCC1	196381742	171075765	/nfs/dbraw/zinc/07/57/65/171075765.db2.gz	HVPMGMYXQOVLBD-UHFFFAOYSA-N	0	0	180.001	1.538	50	5		ADBARN
O=c1c2ccc[nH]c-2ccc1[N+](=O)[O-]	39189604	171076710	/nfs/dbraw/zinc/07/67/10/171076710.db2.gz	WJPDFXSKFMLYSH-UHFFFAOYSA-N	0	0	190.158	1.849	50	5	in-vitro	ADBARN
CNc1ccc(CO)cc1[N+](=O)[O-]	39207232	171077598	/nfs/dbraw/zinc/07/75/98/171077598.db2.gz	CQTXKCNAHJKKQU-UHFFFAOYSA-N	0	0	182.179	1.129	50	5		ADBARN
O=[N+]([O-])c1c[nH]c2cnccc12	39223133	171077764	/nfs/dbraw/zinc/07/77/64/171077764.db2.gz	ZMNWUNQKJMZXJD-UHFFFAOYSA-N	0	0	163.136	1.471	50	5		ADBARN
CNc1ccc(C(C)=O)cc1[N+](=O)[O-]	39414840	171078941	/nfs/dbraw/zinc/07/89/41/171078941.db2.gz	RFMFMDSOEBOCAX-UHFFFAOYSA-N	0	0	194.190	1.839	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)CCCO2	39477873	171079783	/nfs/dbraw/zinc/07/97/83/171079783.db2.gz	XEEPCXIOIGPEPA-UHFFFAOYSA-N	0	0	179.175	1.920	50	5		ADBARN
CC(=O)Nc1cc(F)ccc1[N+](=O)[O-]	82254461	171085666	/nfs/dbraw/zinc/08/56/66/171085666.db2.gz	VQGOCZPTZPDVHL-UHFFFAOYSA-N	0	0	198.153	1.692	50	5		ADBARN
O=[N+]([O-])c1c[nH]nc1-c1ccncc1	42415189	171085970	/nfs/dbraw/zinc/08/59/70/171085970.db2.gz	QNIYLJZNEUCTHC-UHFFFAOYSA-N	0	0	190.162	1.380	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)ccc1CO	44184854	171089272	/nfs/dbraw/zinc/08/92/72/171089272.db2.gz	AYLMINHMFZNILI-UHFFFAOYSA-N	0	0	171.127	1.226	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)cc2cn[nH]c12	44185520	171089838	/nfs/dbraw/zinc/08/98/38/171089838.db2.gz	UEKZIDSQISFLMJ-UHFFFAOYSA-N	0	0	181.126	1.610	50	5	in-vitro	ADBARN
O=[N+]([O-])c1c(F)nc2ccccn12	45027529	171091120	/nfs/dbraw/zinc/09/11/20/171091120.db2.gz	OKXWANRKZBXOSX-UHFFFAOYSA-N	0	0	181.126	1.382	50	5		ADBARN
O=[N+]([O-])c1ccc2c(c1)COC2	44676091	171091739	/nfs/dbraw/zinc/09/17/39/171091739.db2.gz	VZIBAMYIHSHADC-UHFFFAOYSA-N	0	0	165.148	1.625	50	5	in-vitro	ADBARN
O=[N+]([O-])c1n[nH]c2c(Cl)nccc12	49342702	171093667	/nfs/dbraw/zinc/09/36/67/171093667.db2.gz	PSJJYTFYDCJOFS-UHFFFAOYSA-N	0	0	198.569	1.520	50	5		ADBARN
O=[N+]([O-])c1ncn(-c2ccccc2)n1	57429464	171100516	/nfs/dbraw/zinc/10/05/16/171100516.db2.gz	AOUDREGNSCFGAJ-UHFFFAOYSA-N	0	0	190.162	1.176	50	5		ADBARN
O=[N+]([O-])c1cc(Cl)cc(CO)c1	64033664	171104040	/nfs/dbraw/zinc/10/40/40/171104040.db2.gz	LKBQUSJJIYIBDP-UHFFFAOYSA-N	0	0	187.582	1.741	50	5	in-vitro	ADBARN
O=[N+]([O-])c1nn(C(F)F)cc1Cl	69760130	171105565	/nfs/dbraw/zinc/10/55/65/171105565.db2.gz	FYVKNMBKPLJNTO-UHFFFAOYSA-N	0	0	197.528	1.840	50	5		ADBARN
O=[N+]([O-])c1c(F)cc(CO)cc1F	79017149	171120965	/nfs/dbraw/zinc/12/09/65/171120965.db2.gz	MWMXVSGWUYOLQS-UHFFFAOYSA-N	0	0	189.117	1.365	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1F	79052321	171121131	/nfs/dbraw/zinc/12/11/31/171121131.db2.gz	MEGKAPYCJRCDAE-UHFFFAOYSA-N	0	0	192.533	1.021	50	5		ADBARN
O=[N+]([O-])c1c[nH]nc1Br	79006875	171121212	/nfs/dbraw/zinc/12/12/12/171121212.db2.gz	XAURTANBYDETIM-UHFFFAOYSA-N	0	0	191.972	1.080	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)cc(CO)c1	82237866	171121650	/nfs/dbraw/zinc/12/16/50/171121650.db2.gz	VIPAPHQBEJJKOZ-UHFFFAOYSA-N	0	0	171.127	1.226	50	5		ADBARN
O=[N+]([O-])c1ccc2c(c1)CCO2	83256586	171128419	/nfs/dbraw/zinc/12/84/19/171128419.db2.gz	TYPKKUFDAHEIOP-UHFFFAOYSA-N	0	0	165.148	1.530	50	5		ADBARN
O=[N+]([O-])c1c[nH]nc1-c1nccs1	83142836	171128845	/nfs/dbraw/zinc/12/88/45/171128845.db2.gz	WNRJFVLIODINOD-UHFFFAOYSA-N	0	0	196.191	1.441	50	5		ADBARN
O=[N+]([O-])c1cc(F)c(F)nc1F	85224063	171131689	/nfs/dbraw/zinc/13/16/89/171131689.db2.gz	MMDPSCYWIADBPM-UHFFFAOYSA-N	0	0	178.069	1.407	50	5		ADBARN
O=[N+]([O-])c1ncc(Cl)cc1F	88189955	171132961	/nfs/dbraw/zinc/13/29/61/171132961.db2.gz	FUKOQNFWJNNEQO-UHFFFAOYSA-N	0	0	176.534	1.782	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc2n[nH]cc2cc1F	89197051	171134123	/nfs/dbraw/zinc/13/41/23/171134123.db2.gz	JRSRHHJSNKBZCB-UHFFFAOYSA-N	0	0	181.126	1.610	50	5	in-vitro	ADBARN
O=[N+]([O-])c1c(F)cccc1CO	91252343	171134396	/nfs/dbraw/zinc/13/43/96/171134396.db2.gz	MMKNOYTVACESCK-UHFFFAOYSA-N	0	0	171.127	1.226	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ncccc1N1CCCC1	95081117	171136328	/nfs/dbraw/zinc/13/63/28/171136328.db2.gz	JDGVVTHJDQLXGP-UHFFFAOYSA-N	0	0	193.206	1.590	50	5		ADBARN
O=[N+]([O-])c1cc2c(cc1F)OCCN2	95644360	171136538	/nfs/dbraw/zinc/13/65/38/171136538.db2.gz	PEOVRVSERLAIQM-UHFFFAOYSA-N	0	0	198.153	1.538	50	5		ADBARN
O=[N+]([O-])CCc1ccsc1	95829639	171139638	/nfs/dbraw/zinc/13/96/38/171139638.db2.gz	BUYGQVOYTRGWJV-UHFFFAOYSA-N	0	0	157.194	1.567	50	5		ADBARN
O=[N+]([O-])c1c[nH]c2cccnc12	95830780	171139938	/nfs/dbraw/zinc/13/99/38/171139938.db2.gz	FTRQCCAMRDXXGH-UHFFFAOYSA-N	0	0	163.136	1.471	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1F)CCN2	95884029	171140113	/nfs/dbraw/zinc/14/01/13/171140113.db2.gz	IZJPDEDMUHMSKG-UHFFFAOYSA-N	0	0	182.154	1.702	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)cc(CO)c1F	95930277	171140387	/nfs/dbraw/zinc/14/03/87/171140387.db2.gz	YOTNSPOEKNULNQ-UHFFFAOYSA-N	0	0	189.117	1.365	50	5		ADBARN
O=[N+]([O-])Cc1nc2ccccc2[nH]1	100177888	171144363	/nfs/dbraw/zinc/14/43/63/171144363.db2.gz	OKRTYRDMIKNFFI-UHFFFAOYSA-N	0	0	177.163	1.340	50	5		ADBARN
O=[N+]([O-])c1cc(C(F)(F)F)[nH]n1	100803265	171145502	/nfs/dbraw/zinc/14/55/02/171145502.db2.gz	DHZRRMYXYCFJIY-UHFFFAOYSA-N	0	0	181.073	1.337	50	5		ADBARN
O=[N+]([O-])c1cc(F)cc(F)c1CO	169800332	171165808	/nfs/dbraw/zinc/16/58/08/171165808.db2.gz	LZRAMXHQFWZODZ-UHFFFAOYSA-N	0	0	189.117	1.365	50	5		ADBARN
O=[N+]([O-])c1c[nH]nc1C(F)F	223253387	171182779	/nfs/dbraw/zinc/18/27/79/171182779.db2.gz	JPRDJSYMLUZDRS-UHFFFAOYSA-N	0	0	163.083	1.256	50	5		ADBARN
O=[N+]([O-])C1CCCCCC1	4829191	171186560	/nfs/dbraw/zinc/18/65/60/171186560.db2.gz	LACLQAUWSKAKQJ-UHFFFAOYSA-N	0	0	143.186	1.986	50	5		ADBARN
O=[N+]([O-])c1cc(F)cc([O-])c1F	263622737	171187951	/nfs/dbraw/zinc/18/79/51/171187951.db2.gz	AKNLAZURPYXKJI-UHFFFAOYSA-N	0	0	175.090	1.579	50	5		ADBARN
O=Cc1cccc([N+](=O)[O-])c1	163576	171187963	/nfs/dbraw/zinc/18/79/63/171187963.db2.gz	ZETIVVHRRQLWFW-UHFFFAOYSA-N	0	0	151.121	1.407	50	5	in-vitro	ADBARN
O=Cc1ccccc1[N+](=O)[O-]	164601	171188017	/nfs/dbraw/zinc/18/80/17/171188017.db2.gz	CMWKITSNTDAEDT-UHFFFAOYSA-N	0	0	151.121	1.407	50	5	in-vitro	ADBARN
O=[N+]([O-])C/C=C/c1ccco1	263619774	171188233	/nfs/dbraw/zinc/18/82/33/171188233.db2.gz	XSVZLJPWFCKZTO-HNQUOIGGSA-N	0	0	153.137	1.570	50	5		ADBARN
[O-][N+]1(CCc2ccccn2)CCCC1	45028128	171190076	/nfs/dbraw/zinc/19/00/76/171190076.db2.gz	SXAJOHCKWJVTCV-UHFFFAOYSA-N	0	0	192.262	1.733	50	5		ADBARN
O=[N+]([O-])c1cc2c(cc1F)NCC2	306145582	171191271	/nfs/dbraw/zinc/19/12/71/171191271.db2.gz	JDSAQRIJNJOSPY-UHFFFAOYSA-N	0	0	182.154	1.702	50	5		ADBARN
O=[N+]([O-])c1nc[nH]c1N1CCCCC1	6161136	171198372	/nfs/dbraw/zinc/19/83/72/171198372.db2.gz	IEDMEKQITXKUIN-UHFFFAOYSA-N	0	0	196.210	1.308	50	5		ADBARN
O=[N+]([O-])C1([N+](=O)[O-])CCCCC1	19320230	171211467	/nfs/dbraw/zinc/21/14/67/171211467.db2.gz	OWJVEZJJRYZWNI-UHFFFAOYSA-N	0	0	174.156	1.200	50	5		ADBARN
O=[N+]([O-])CCc1ccccc1	1608651	171215411	/nfs/dbraw/zinc/21/54/11/171215411.db2.gz	XAWCLWKTUKMCMO-UHFFFAOYSA-N	0	0	151.165	1.506	50	5		ADBARN
O=[N+]([O-])CCC1CCC1	36377889	171216775	/nfs/dbraw/zinc/21/67/75/171216775.db2.gz	TWARFNMZHLVGMX-UHFFFAOYSA-N	0	0	129.159	1.453	50	5		ADBARN
C[S@](=O)Cc1cccc([N+](=O)[O-])c1	150337969	344080401	/nfs/dbraw/zinc/08/04/01/344080401.db2.gz	UWKGKAZBUKEURD-CYBMUJFWSA-N	0	0	199.231	1.473	50	5	in-vitro	ADBARN
Cc1cc(F)c(CO)cc1[N+](=O)[O-]	169725191	344351724	/nfs/dbraw/zinc/35/17/24/344351724.db2.gz	WRXKWGJLBYHGKE-UHFFFAOYSA-N	0	0	185.154	1.535	50	5		ADBARN
O=[N+]([O-])c1c[nH]c(Br)n1	5425250	207351025	/nfs/dbraw/zinc/35/10/25/207351025.db2.gz	UWRJWMLKEHRGOH-UHFFFAOYSA-N	0	0	191.972	1.080	50	5		ADBARN
O=[N+]([O-])C1CCCC1	5413249	207351587	/nfs/dbraw/zinc/35/15/87/207351587.db2.gz	CJSZWOGCKKDSJG-UHFFFAOYSA-N	0	0	115.132	1.206	50	5	in-vitro	ADBARN
O=[N+]([O-])c1c[nH]nc1-c1ccccn1	42415188	207352547	/nfs/dbraw/zinc/35/25/47/207352547.db2.gz	YRKGZAPVVJYLGV-UHFFFAOYSA-N	0	0	190.162	1.380	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)c(CO)cc1F	40566581	207352659	/nfs/dbraw/zinc/35/26/59/207352659.db2.gz	RBUYLUYPBHZOCB-UHFFFAOYSA-N	0	0	189.117	1.365	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccn(C2CCCC2)n1	12396634	351365198	/nfs/dbraw/zinc/36/51/98/351365198.db2.gz	MMYUAXSDHZVHSA-UHFFFAOYSA-N	0	0	181.195	1.906	50	5		ADBARN
O=[N+]([O-])/C=C/c1ccccc1	1700197	325595980	/nfs/dbraw/zinc/59/59/80/325595980.db2.gz	PIAOLBVUVDXHHL-VOTSOKGWSA-N	0	0	149.149	1.934	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ncccc1Cl	2566375	325596144	/nfs/dbraw/zinc/59/61/44/325596144.db2.gz	PSGASDJUCYTRAD-UHFFFAOYSA-N	0	0	158.544	1.643	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)CC2	34599024	325599483	/nfs/dbraw/zinc/59/94/83/325599483.db2.gz	ILYYCDAVWLQXKB-UHFFFAOYSA-N	0	0	149.149	1.693	50	5		ADBARN
O=[N+]([O-])c1cnn(C2CCOCC2)c1	116519719	325621715	/nfs/dbraw/zinc/62/17/15/325621715.db2.gz	WNGOPKGWJNIWCU-UHFFFAOYSA-N	0	0	197.194	1.143	50	5		ADBARN
CC(C)c1ncc([N+](=O)[O-])n1C	1580	342923634	/nfs/dbraw/zinc/92/36/34/342923634.db2.gz	NTAFJUSDNOSFFY-UHFFFAOYSA-N	0	0	169.184	1.452	50	5	in-man	ADBARN
Cc1ccc([N+](=O)[O-])c2nsnc12	39558	342924557	/nfs/dbraw/zinc/92/45/57/342924557.db2.gz	NTZTXANDSQZDAO-UHFFFAOYSA-N	0	0	195.203	1.908	50	5		ADBARN
O=[N+]([O-])/C=C/c1ccc2c(c1)OCO2	33976	342924588	/nfs/dbraw/zinc/92/45/88/342924588.db2.gz	KFLWBZPSJQPRDD-ONEGZZNKSA-N	0	0	193.158	1.663	50	5	in-vitro	ADBARN
O=[N+]([O-])/C=C/c1ccc(O)cc1	39663	342924631	/nfs/dbraw/zinc/92/46/31/342924631.db2.gz	CTJKRKMPTRJAIT-AATRIKPKSA-N	0	0	165.148	1.640	50	5	in-vivo	ADBARN
O=[N+]([O-])c1ccc2cnncc2c1	49649	342924926	/nfs/dbraw/zinc/92/49/26/342924926.db2.gz	GVLAWBPLKDRQCZ-UHFFFAOYSA-N	0	0	175.147	1.538	50	5		ADBARN
O=[N+]([O-])/C=C/c1ccco1	55261	342925064	/nfs/dbraw/zinc/92/50/64/342925064.db2.gz	WVUICGOYGDHVBH-ONEGZZNKSA-N	0	0	139.110	1.527	50	5	in-vitro	ADBARN
CN(/C=C/[N+](=O)[O-])c1ccccc1	50277	342925105	/nfs/dbraw/zinc/92/51/05/342925105.db2.gz	RUTWDVHNQBLUFO-BQYQJAHWSA-N	0	0	178.191	1.871	50	5		ADBARN
O=c1oc2ccccc2c2nccnc12	62103	342925352	/nfs/dbraw/zinc/92/53/52/342925352.db2.gz	NOVNOZNKFHLMJY-UHFFFAOYSA-N	0	0	198.181	1.736	50	5		ADBARN
CC(=O)Nc1cc([N+](=O)[O-])ccc1C	66986	342925555	/nfs/dbraw/zinc/92/55/55/342925555.db2.gz	YMHUULKGTGEHHQ-UHFFFAOYSA-N	0	0	194.190	1.862	50	5	in-vitro	ADBARN
Cc1cn2c(C)nc([N+](=O)[O-])c2n1C	68458	342925585	/nfs/dbraw/zinc/92/55/85/342925585.db2.gz	DGOMCASTQHXNOE-UHFFFAOYSA-N	0	0	194.194	1.198	50	5		ADBARN
O=[N+]([O-])c1cc(O)c2ncccc2c1	78149	342925955	/nfs/dbraw/zinc/92/59/55/342925955.db2.gz	BVBQGQLGXJDKLZ-UHFFFAOYSA-N	0	0	190.158	1.849	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])cc1NN	88613	342926373	/nfs/dbraw/zinc/92/63/73/342926373.db2.gz	ZMHHLAAPJJAADE-UHFFFAOYSA-N	0	0	167.168	1.189	50	5	in-vitro	ADBARN
O=c1oc2ccccc2cc1[N+](=O)[O-]	92004	342926514	/nfs/dbraw/zinc/92/65/14/342926514.db2.gz	YTCVPEZECJYZRK-UHFFFAOYSA-N	0	0	191.142	1.701	50	5		ADBARN
O=[N+]([O-])c1ccc2c(c1)COCO2	103493	342926730	/nfs/dbraw/zinc/92/67/30/342926730.db2.gz	RCVQOAMNZPWAIM-UHFFFAOYSA-N	0	0	181.147	1.461	50	5		ADBARN
O=c1c2ccccc2nc2ccccn12	111199	342926837	/nfs/dbraw/zinc/92/68/37/342926837.db2.gz	MONJTOUXCWKOFS-UHFFFAOYSA-N	0	0	196.209	1.848	50	5		ADBARN
CNC(=O)c1ccc(C)c([N+](=O)[O-])c1	102029	342926999	/nfs/dbraw/zinc/92/69/99/342926999.db2.gz	QGWGRJLQNCNLLM-UHFFFAOYSA-N	0	0	194.190	1.263	50	5		ADBARN
Cc1cc(C)c([N+](=O)[O-])c(C)n1	129393	342927682	/nfs/dbraw/zinc/92/76/82/342927682.db2.gz	UQBHNBZGFVDCAH-UHFFFAOYSA-N	0	0	166.180	1.915	50	5		ADBARN
O=[N+]([O-])c1n[nH]nc1-c1ccccc1	132813	342927897	/nfs/dbraw/zinc/92/78/97/342927897.db2.gz	BQSXZAYOAYHXHP-UHFFFAOYSA-N	0	0	190.162	1.380	50	5		ADBARN
CC(=O)Nc1cc([N+](=O)[O-])ccc1F	152367	342928242	/nfs/dbraw/zinc/92/82/42/342928242.db2.gz	PXJGUIPZTSDKMY-UHFFFAOYSA-N	0	0	198.153	1.692	50	5	in-vitro	ADBARN
CC(C)c1nc([N+](=O)[O-])c[nH]1	157584	342929329	/nfs/dbraw/zinc/92/93/29/342929329.db2.gz	SQZCZXRYOJJCDU-UHFFFAOYSA-N	0	0	155.157	1.441	50	5	in-vitro	ADBARN
Cc1c(O)cccc1[N+](=O)[O-]	163570	342930484	/nfs/dbraw/zinc/93/04/84/342930484.db2.gz	GAKLFAZBKQGUBO-UHFFFAOYSA-N	0	0	153.137	1.609	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])cc1O	164798	342930527	/nfs/dbraw/zinc/93/05/27/342930527.db2.gz	UMFDLIXUUJMPSI-UHFFFAOYSA-N	0	0	153.137	1.609	50	5	in-vitro	ADBARN
CCn1cnc2cc([N+](=O)[O-])ccc21	174448	342931099	/nfs/dbraw/zinc/93/10/99/342931099.db2.gz	GINJOHOCISEINH-UHFFFAOYSA-N	0	0	191.190	1.964	50	5		ADBARN
C[S@@](=O)c1ccc([N+](=O)[O-])cc1	173126	342931181	/nfs/dbraw/zinc/93/11/81/342931181.db2.gz	MLTFFVSGGPGNSP-LBPRGKRZSA-N	0	0	185.204	1.332	50	5		ADBARN
CC(=O)Nc1cccc([N+](=O)[O-])c1	171659	342931215	/nfs/dbraw/zinc/93/12/15/342931215.db2.gz	KFTYNYHJHKCRKU-UHFFFAOYSA-N	0	0	180.163	1.553	50	5		ADBARN
C[S@@](=O)c1ccccc1[N+](=O)[O-]	173127	342931277	/nfs/dbraw/zinc/93/12/77/342931277.db2.gz	JECOZFMBKQJNDT-LBPRGKRZSA-N	0	0	185.204	1.332	50	5		ADBARN
Cc1nc(Cl)ccc1[N+](=O)[O-]	330879	342933164	/nfs/dbraw/zinc/93/31/64/342933164.db2.gz	GHSRMSJVYMITDX-UHFFFAOYSA-N	0	0	172.571	1.952	50	5		ADBARN
Cc1cnc(Cl)c([N+](=O)[O-])c1	333064	342933524	/nfs/dbraw/zinc/93/35/24/342933524.db2.gz	LUAJUWOJEFFNFE-UHFFFAOYSA-N	0	0	172.571	1.952	50	5	in-vitro	ADBARN
Cc1cnccc1[N+](=O)[O-]	332952	342933640	/nfs/dbraw/zinc/93/36/40/342933640.db2.gz	UYAWSMUOLFSNGC-UHFFFAOYSA-N	0	0	138.126	1.298	50	5	in-vitro	ADBARN
Cc1cnc2cc([N+](=O)[O-])ccc2n1	343355	342934359	/nfs/dbraw/zinc/93/43/59/342934359.db2.gz	CZWQHNDESNJXGS-UHFFFAOYSA-N	0	0	189.174	1.846	50	5		ADBARN
O=[N+]([O-])c1ccc2nccn2c1	337567	342934408	/nfs/dbraw/zinc/93/44/08/342934408.db2.gz	RXZZQEFTZIHXRI-UHFFFAOYSA-N	0	0	163.136	1.243	50	5	in-vitro	ADBARN
C[N+](C)([O-])Cc1ccccc1	394522	342937082	/nfs/dbraw/zinc/93/70/82/342937082.db2.gz	UJZXIGKNPLTUOZ-UHFFFAOYSA-N	0	0	151.209	1.761	50	5		ADBARN
CCn1c(C)nc([N+](=O)[O-])c1Cl	481440	342939517	/nfs/dbraw/zinc/93/95/17/342939517.db2.gz	MVICIJDNZUMTFU-UHFFFAOYSA-N	0	0	189.602	1.773	50	5	in-vitro	ADBARN
Cc1ccc(SN)c([N+](=O)[O-])c1	547033	342940799	/nfs/dbraw/zinc/94/07/99/342940799.db2.gz	UZTTYRSZDJSYLJ-UHFFFAOYSA-N	0	0	184.220	1.869	50	5		ADBARN
[O-][N+]12CCN(CC1)c1ccccc12	551502	342940894	/nfs/dbraw/zinc/94/08/94/342940894.db2.gz	VFSVHIRERJSMFT-UHFFFAOYSA-N	0	0	176.219	1.325	50	5		ADBARN
Cc1[nH]nc(Cl)c1[N+](=O)[O-]	1225148	342943483	/nfs/dbraw/zinc/94/34/83/342943483.db2.gz	ZCHRCALASPNJEQ-UHFFFAOYSA-N	0	0	161.548	1.280	50	5		ADBARN
O=[N+]([O-])c1c(Cl)ncnc1Cl	1078933	342943322	/nfs/dbraw/zinc/94/33/22/342943322.db2.gz	HCTISZQLTGAYOX-UHFFFAOYSA-N	0	0	193.977	1.692	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])cc2c[nH]nc12	1235098	342943678	/nfs/dbraw/zinc/94/36/78/342943678.db2.gz	JOJIHKJWRAFXSC-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
CCc1c[n+]([O-])c(C)cc1[N+](=O)[O-]	1304885	342944579	/nfs/dbraw/zinc/94/45/79/342944579.db2.gz	DANDYWNNFZVYIE-UHFFFAOYSA-N	0	0	182.179	1.099	50	5		ADBARN
O=[N+]([O-])c1nonc1-c1ccccc1	1295931	342943940	/nfs/dbraw/zinc/94/39/40/342943940.db2.gz	BYHHKBZPGQFDKM-UHFFFAOYSA-N	0	0	191.146	1.645	50	5		ADBARN
Cc1cc2n[nH]cc2cc1[N+](=O)[O-]	1392913	342944357	/nfs/dbraw/zinc/94/43/57/342944357.db2.gz	JNIDNZRLKGLAOP-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
Cc1c([N+](=O)[O-])ccc2n[nH]cc12	1403891	342945001	/nfs/dbraw/zinc/94/50/01/342945001.db2.gz	AIFYSIHSUXTSGT-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
Cc1nc2cccc([N+](=O)[O-])c2[nH]1	1433327	342945349	/nfs/dbraw/zinc/94/53/49/342945349.db2.gz	NPNUZBBMRYRAPF-UHFFFAOYSA-N	0	0	177.163	1.780	50	5		ADBARN
O=[N+]([O-])c1c(Cl)nc2ccccn12	1580814	342948770	/nfs/dbraw/zinc/94/87/70/342948770.db2.gz	MPYABESQQVTTRX-UHFFFAOYSA-N	0	0	197.581	1.896	50	5	in-vitro	ADBARN
CN(C)c1ccc(C=O)c([N+](=O)[O-])c1	1583075	342949321	/nfs/dbraw/zinc/94/93/21/342949321.db2.gz	DHLFXZQEAWYQLC-UHFFFAOYSA-N	0	0	194.190	1.473	50	5		ADBARN
Cc1cc(Cl)ncc1[N+](=O)[O-]	1595322	342950407	/nfs/dbraw/zinc/95/04/07/342950407.db2.gz	HWZUMEVIIGNXGM-UHFFFAOYSA-N	0	0	172.571	1.952	50	5	in-vitro	ADBARN
CN(C)C(=O)c1cccc([N+](=O)[O-])c1	1599308	342950756	/nfs/dbraw/zinc/95/07/56/342950756.db2.gz	DKWDGIRXGDSOST-UHFFFAOYSA-N	0	0	194.190	1.297	50	5	in-vitro	ADBARN
O=[N+]([O-])/C=C/c1cccc([N+](=O)[O-])c1	1608653	342951890	/nfs/dbraw/zinc/95/18/90/342951890.db2.gz	YOEGXQQUPVDQEE-SNAWJCMRSA-N	0	0	194.146	1.842	50	5	in-vitro	ADBARN
Cc1c(C=O)cccc1[N+](=O)[O-]	1621362	342952523	/nfs/dbraw/zinc/95/25/23/342952523.db2.gz	ATLCWADLCUCTLL-UHFFFAOYSA-N	0	0	165.148	1.716	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)NCCC2	1621036	342952746	/nfs/dbraw/zinc/95/27/46/342952746.db2.gz	WSWMGHRLUYADNA-UHFFFAOYSA-N	0	0	178.191	1.953	50	5	in-vitro	ADBARN
CCCC[N+](=O)[O-]	1666927	342955621	/nfs/dbraw/zinc/95/56/21/342955621.db2.gz	NALZTFARIYUCBY-UHFFFAOYSA-N	0	0	103.121	1.063	50	5	in-vitro	ADBARN
CCCCC[N+](=O)[O-]	1666924	342955663	/nfs/dbraw/zinc/95/56/63/342955663.db2.gz	BVALZCVRLDMXOQ-UHFFFAOYSA-N	0	0	117.148	1.453	50	5	in-vitro	ADBARN
Cc1cc(O)cc([N+](=O)[O-])c1	1672511	342956349	/nfs/dbraw/zinc/95/63/49/342956349.db2.gz	KDKCEPVMXOUFJD-UHFFFAOYSA-N	0	0	153.137	1.609	50	5	in-vitro	ADBARN
Cc1ccc(O)cc1[N+](=O)[O-]	1672516	342956451	/nfs/dbraw/zinc/95/64/51/342956451.db2.gz	BQEXDUKMTVYBRK-UHFFFAOYSA-N	0	0	153.137	1.609	50	5	in-vitro	ADBARN
C[C@H](O)c1ccccc1[N+](=O)[O-]	1679160	342957633	/nfs/dbraw/zinc/95/76/33/342957633.db2.gz	DSDBYQDNNWCLHL-LURJTMIESA-N	0	0	167.164	1.648	50	5	in-vitro	ADBARN
CCC(Cl)(Cl)[N+](=O)[O-]	1693383	342959256	/nfs/dbraw/zinc/95/92/56/342959256.db2.gz	DNYOTMDPSXBJRJ-UHFFFAOYSA-N	0	0	157.984	1.805	50	5		ADBARN
Cc1cc([N+](=O)[O-])cc(Cl)n1	1692668	342959295	/nfs/dbraw/zinc/95/92/95/342959295.db2.gz	BASZDKHKTXGGEP-UHFFFAOYSA-N	0	0	172.571	1.952	50	5		ADBARN
Cc1cccc([N+](=O)[O-])c1	1700066	342960381	/nfs/dbraw/zinc/96/03/81/342960381.db2.gz	QZYHIOPPLUPUJF-UHFFFAOYSA-N	0	0	137.138	1.903	50	5	in-vitro	ADBARN
Cc1ccccc1[N+](=O)[O-]	1700065	342960393	/nfs/dbraw/zinc/96/03/93/342960393.db2.gz	PLAZTCDQAHEYBI-UHFFFAOYSA-N	0	0	137.138	1.903	50	5	in-vitro	ADBARN
CN(C)c1cccc([N+](=O)[O-])c1	1700200	342960443	/nfs/dbraw/zinc/96/04/43/342960443.db2.gz	CJDICMLSLYHRPT-UHFFFAOYSA-N	0	0	166.180	1.661	50	5	in-vitro	ADBARN
C[C@H](O)c1cccc([N+](=O)[O-])c1	1706203	342960597	/nfs/dbraw/zinc/96/05/97/342960597.db2.gz	FRPQAVXDUWMFCK-LURJTMIESA-N	0	0	167.164	1.648	50	5	in-vitro	ADBARN
Cc1nn(C)c(Cl)c1[N+](=O)[O-]	1717496	342962156	/nfs/dbraw/zinc/96/21/56/342962156.db2.gz	WBMBDRIOUHCVAS-UHFFFAOYSA-N	0	0	175.575	1.290	50	5	in-vitro	ADBARN
C[C@H]([C@@H](O)c1ccccc1)[N+](=O)[O-]	1733936	342962968	/nfs/dbraw/zinc/96/29/68/342962968.db2.gz	JGYVPZIKTZGAAD-VXNVDRBHSA-N	0	0	181.191	1.385	50	5		ADBARN
CCC(CC)(C[N+](=O)[O-])C[N+](=O)[O-]	1760280	342964105	/nfs/dbraw/zinc/96/41/05/342964105.db2.gz	XOGZZVNGLVHBRD-UHFFFAOYSA-N	0	0	190.199	1.346	50	5		ADBARN
Cc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-]	2008675	342966134	/nfs/dbraw/zinc/96/61/34/342966134.db2.gz	IEEJAAUSLQCGJH-UHFFFAOYSA-N	0	0	197.150	1.394	50	5	in-vitro	ADBARN
CCCCCC[N+](=O)[O-]	2031533	342967706	/nfs/dbraw/zinc/96/77/06/342967706.db2.gz	FEYJIFXFOHFGCC-UHFFFAOYSA-N	0	0	131.175	1.843	50	5	endogenous,in-man	ADBARN
CC[C@H](C)[N+](=O)[O-]	2034490	342968030	/nfs/dbraw/zinc/96/80/30/342968030.db2.gz	SUGZATOHBPXTDV-BYPYZUCNSA-N	0	0	103.121	1.062	50	5	in-vitro	ADBARN
C[C@H](O)C1([N+](=O)[O-])CCCCC1	2141655	342969475	/nfs/dbraw/zinc/96/94/75/342969475.db2.gz	YIKCHZRYVSLLSN-ZETCQYMHSA-N	0	0	173.212	1.347	50	5		ADBARN
Cc1cc(N)cc([N+](=O)[O-])c1	2149929	342970107	/nfs/dbraw/zinc/97/01/07/342970107.db2.gz	DZIJEXQVMORGQX-UHFFFAOYSA-N	0	0	152.153	1.485	50	5	in-vitro	ADBARN
Cc1ccc(C=O)cc1[N+](=O)[O-]	2146927	342970116	/nfs/dbraw/zinc/97/01/16/342970116.db2.gz	KHWGAWBXQOKXIJ-UHFFFAOYSA-N	0	0	165.148	1.716	50	5	in-vitro	ADBARN
CCc1ccc([N+](=O)[O-])cc1N	2166290	342970435	/nfs/dbraw/zinc/97/04/35/342970435.db2.gz	MMZWMCKTKJKIMC-UHFFFAOYSA-N	0	0	166.180	1.739	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])cc1NC=O	2164965	342970478	/nfs/dbraw/zinc/97/04/78/342970478.db2.gz	AGEISPGOHDJZHN-UHFFFAOYSA-N	0	0	180.163	1.472	50	5		ADBARN
Cc1cc(F)ncc1[N+](=O)[O-]	2384001	342971817	/nfs/dbraw/zinc/97/18/17/342971817.db2.gz	NSKQWXVTBOPEMH-UHFFFAOYSA-N	0	0	156.116	1.437	50	5	in-vitro	ADBARN
CCc1ccc(C=O)cc1[N+](=O)[O-]	2522284	342973999	/nfs/dbraw/zinc/97/39/99/342973999.db2.gz	PQNRTCSIGGYXNB-UHFFFAOYSA-N	0	0	179.175	1.970	50	5		ADBARN
Cc1nn(C(F)F)c(C)c1[N+](=O)[O-]	2533924	342974949	/nfs/dbraw/zinc/97/49/49/342974949.db2.gz	BQOBUTUKAVDCAE-UHFFFAOYSA-N	0	0	191.137	1.803	50	5		ADBARN
CCn1cc([N+](=O)[O-])c(C)n1	2537040	342975067	/nfs/dbraw/zinc/97/50/67/342975067.db2.gz	TYUHNNYPMAKLIQ-UHFFFAOYSA-N	0	0	155.157	1.120	50	5		ADBARN
Cc1c(NN)cccc1[N+](=O)[O-]	2533968	342975249	/nfs/dbraw/zinc/97/52/49/342975249.db2.gz	KHZUSEASVVTALS-UHFFFAOYSA-N	0	0	167.168	1.189	50	5	in-vitro	ADBARN
CCCCn1cc([N+](=O)[O-])nc1C	2555761	342976291	/nfs/dbraw/zinc/97/62/91/342976291.db2.gz	QZJVHLRSLFVNTO-UHFFFAOYSA-N	0	0	183.211	1.900	50	5		ADBARN
Cc1ccc(CO)cc1[N+](=O)[O-]	2567950	342977548	/nfs/dbraw/zinc/97/75/48/342977548.db2.gz	URCWIFSXDARYLY-UHFFFAOYSA-N	0	0	167.164	1.396	50	5	in-vitro	ADBARN
CC[N+]([O-])(CC)CC	2584523	342979142	/nfs/dbraw/zinc/97/91/42/342979142.db2.gz	LFMTUFVYMCDPGY-UHFFFAOYSA-N	0	0	117.192	1.361	50	5		ADBARN
Cc1c([N+](=O)[O-])cc[n+]([O-])c1Cl	3847024	342984785	/nfs/dbraw/zinc/98/47/85/342984785.db2.gz	HFWNDVWSHMKOQY-UHFFFAOYSA-N	0	0	188.570	1.190	50	5		ADBARN
Cc1ccc(N)c([N+](=O)[O-])c1	3844700	342984815	/nfs/dbraw/zinc/98/48/15/342984815.db2.gz	DLURHXYXQYMPLT-UHFFFAOYSA-N	0	0	152.153	1.485	50	5	in-vitro	ADBARN
CN(C)c1ccc([N+](=O)[O-])cc1	3852228	342985309	/nfs/dbraw/zinc/98/53/09/342985309.db2.gz	QJAIOCKFIORVFU-UHFFFAOYSA-N	0	0	166.180	1.661	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])ccc1N	3861142	342985423	/nfs/dbraw/zinc/98/54/23/342985423.db2.gz	XTTIQGSLJBWVIV-UHFFFAOYSA-N	0	0	152.153	1.485	50	5	in-vitro	ADBARN
Cc1cccc([N+](=O)[O-])c1N	3860618	342985430	/nfs/dbraw/zinc/98/54/30/342985430.db2.gz	FCMRHMPITHLLLA-UHFFFAOYSA-N	0	0	152.153	1.485	50	5	in-vitro	ADBARN
Cc1cc(C)c(N)c([N+](=O)[O-])c1	3877350	342985687	/nfs/dbraw/zinc/98/56/87/342985687.db2.gz	VSRYYONYIUUFFY-UHFFFAOYSA-N	0	0	166.180	1.794	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2c(c1)OCCO2	3897607	342986030	/nfs/dbraw/zinc/98/60/30/342986030.db2.gz	MQSGCURTKWHBRX-UHFFFAOYSA-N	0	0	181.147	1.366	50	5	in-vitro	ADBARN
Cc1ccc2n[nH]nc2c1[N+](=O)[O-]	4023767	342986492	/nfs/dbraw/zinc/98/64/92/342986492.db2.gz	YVEWJXYTEMEKTG-UHFFFAOYSA-N	0	0	178.151	1.175	50	5		ADBARN
Cc1c(C(N)=O)cccc1[N+](=O)[O-]	4013983	342986568	/nfs/dbraw/zinc/98/65/68/342986568.db2.gz	RRDXGSJTLUNXHN-UHFFFAOYSA-N	0	0	180.163	1.002	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])cc1C(N)=O	4013997	342986658	/nfs/dbraw/zinc/98/66/58/342986658.db2.gz	ZNWVCUHOZLVMOC-UHFFFAOYSA-N	0	0	180.163	1.002	50	5		ADBARN
CN1C(=O)Cc2cc([N+](=O)[O-])ccc21	4091628	342987124	/nfs/dbraw/zinc/98/71/24/342987124.db2.gz	QQYDOWGHCYCEQF-UHFFFAOYSA-N	0	0	192.174	1.114	50	5	in-vitro	ADBARN
Cc1c(N)ccc([N+](=O)[O-])c1C	4100713	342987380	/nfs/dbraw/zinc/98/73/80/342987380.db2.gz	XXIWYZBTCKMAMY-UHFFFAOYSA-N	0	0	166.180	1.794	50	5	in-vitro	ADBARN
CC(C)Cc1cc([N+](=O)[O-])n(C)n1	4110398	342987390	/nfs/dbraw/zinc/98/73/90/342987390.db2.gz	IFKHCBBRNDNPJN-UHFFFAOYSA-N	0	0	183.211	1.527	50	5		ADBARN
Cc1ccc([N+](=O)[O-])c(N)c1C	4100736	342987715	/nfs/dbraw/zinc/98/77/15/342987715.db2.gz	YEFYPFWBLCARLC-UHFFFAOYSA-N	0	0	166.180	1.794	50	5		ADBARN
Cc1ccc(N)c(N)c1[N+](=O)[O-]	4202301	342988072	/nfs/dbraw/zinc/98/80/72/342988072.db2.gz	UOFSMFMNGAKHJO-UHFFFAOYSA-N	0	0	167.168	1.068	50	5		ADBARN
Cc1ccc(NN)c([N+](=O)[O-])c1	4237424	342989249	/nfs/dbraw/zinc/98/92/49/342989249.db2.gz	COWMLQSNMSCSOL-UHFFFAOYSA-N	0	0	167.168	1.189	50	5	in-vitro	ADBARN
Cc1[nH]nc([N+](=O)[O-])c1Cl	4243745	342989339	/nfs/dbraw/zinc/98/93/39/342989339.db2.gz	RVRMXEGIHGSLHB-UHFFFAOYSA-N	0	0	161.548	1.280	50	5		ADBARN
Cc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-]	4245385	342989659	/nfs/dbraw/zinc/98/96/59/342989659.db2.gz	KQRJATLINVYHEZ-UHFFFAOYSA-N	0	0	197.150	1.394	50	5	in-vitro	ADBARN
CN(C)c1ccc(N)c([N+](=O)[O-])c1	4262440	342989744	/nfs/dbraw/zinc/98/97/44/342989744.db2.gz	COWGRITUYIECBW-UHFFFAOYSA-N	0	0	181.195	1.243	50	5		ADBARN
CN(C)c1ccc([N+](=O)[O-])c(N)c1	4262439	342989815	/nfs/dbraw/zinc/98/98/15/342989815.db2.gz	WJTOMXLUNDWLCY-UHFFFAOYSA-N	0	0	181.195	1.243	50	5		ADBARN
Cc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1	4252814	342989934	/nfs/dbraw/zinc/98/99/34/342989934.db2.gz	MOOOPNRPJGZXPE-UHFFFAOYSA-N	0	0	197.150	1.394	50	5	in-vitro	ADBARN
Cc1cc(N)ccc1[N+](=O)[O-]	4366989	342991220	/nfs/dbraw/zinc/99/12/20/342991220.db2.gz	XPAYEWBTLKOEDA-UHFFFAOYSA-N	0	0	152.153	1.485	50	5	in-vitro	ADBARN
Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]	4522865	342992231	/nfs/dbraw/zinc/99/22/31/342992231.db2.gz	DYSXLQBUUOPLBB-UHFFFAOYSA-N	0	0	182.135	1.811	50	5		ADBARN
Cc1ccc([N+](=O)[O-])c(N)c1	4520851	342992502	/nfs/dbraw/zinc/99/25/02/342992502.db2.gz	IGDYNWKWXUCIJB-UHFFFAOYSA-N	0	0	152.153	1.485	50	5		ADBARN
CC(C)(C)c1cc([N+](=O)[O-])n[nH]1	4552393	342992732	/nfs/dbraw/zinc/99/27/32/342992732.db2.gz	QEFPZYIXGTXNAO-UHFFFAOYSA-N	0	0	169.184	1.615	50	5		ADBARN
Cc1cc2c(cc1[N+](=O)[O-])OCO2	4532722	342992742	/nfs/dbraw/zinc/99/27/42/342992742.db2.gz	HSJXVJRZFPZLSP-UHFFFAOYSA-N	0	0	181.147	1.632	50	5	in-vitro	ADBARN
CN(C)C(=O)c1ccc([N+](=O)[O-])cc1	4532644	342992798	/nfs/dbraw/zinc/99/27/98/342992798.db2.gz	WYOXDERVKORKJN-UHFFFAOYSA-N	0	0	194.190	1.297	50	5	in-vitro	ADBARN
COc1nccc([N+](=O)[O-])c1OC	4531773	342992826	/nfs/dbraw/zinc/99/28/26/342992826.db2.gz	LSBDMBBFUAPOIW-UHFFFAOYSA-N	0	0	184.151	1.007	50	5		ADBARN
Cc1ccc(NC=O)c([N+](=O)[O-])c1	4582647	342993089	/nfs/dbraw/zinc/99/30/89/342993089.db2.gz	QLNJWWYNJCJWFQ-UHFFFAOYSA-N	0	0	180.163	1.472	50	5		ADBARN
Cc1cc([N+](=O)[O-])ccc1NC=O	4582893	342993226	/nfs/dbraw/zinc/99/32/26/342993226.db2.gz	VWPYMBWXPWWLGJ-UHFFFAOYSA-N	0	0	180.163	1.472	50	5		ADBARN
CCc1ccc(N)c([N+](=O)[O-])c1	4707871	342993960	/nfs/dbraw/zinc/99/39/60/342993960.db2.gz	RUQAPQLDPWSAQM-UHFFFAOYSA-N	0	0	166.180	1.739	50	5		ADBARN
CCCCNc1c([N+](=O)[O-])ncn1C	4728777	342994483	/nfs/dbraw/zinc/99/44/83/342994483.db2.gz	NERQQPVXLKUBHQ-UHFFFAOYSA-N	0	0	198.226	1.540	50	5		ADBARN
CN(C)C(=O)c1ccccc1[N+](=O)[O-]	4761420	342994803	/nfs/dbraw/zinc/99/48/03/342994803.db2.gz	KPQZUMNGHBYUOI-UHFFFAOYSA-N	0	0	194.190	1.297	50	5		ADBARN
Cc1cc(N)cc(C)c1[N+](=O)[O-]	4774786	342995265	/nfs/dbraw/zinc/99/52/65/342995265.db2.gz	RKYZUYQFTGLAOX-UHFFFAOYSA-N	0	0	166.180	1.794	50	5		ADBARN
Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1N	4772924	342995317	/nfs/dbraw/zinc/99/53/17/342995317.db2.gz	RQEMAPKTZLEYNM-UHFFFAOYSA-N	0	0	197.150	1.394	50	5		ADBARN
Cc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]	5159593	342998963	/nfs/dbraw/zinc/99/89/63/342998963.db2.gz	KZBOXYKTSUUBTO-UHFFFAOYSA-N	0	0	182.135	1.811	50	5	in-vitro	ADBARN
Cc1[nH]nc(C(F)(F)F)c1[N+](=O)[O-]	5212049	342999954	/nfs/dbraw/zinc/99/99/54/342999954.db2.gz	MZVQCTATYLWIQA-UHFFFAOYSA-N	0	0	195.100	1.645	50	5	in-vitro	ADBARN
C[C@H](O)CNc1ccc([N+](=O)[O-])cc1	5275220	343000206	/nfs/dbraw/zinc/00/02/06/343000206.db2.gz	JOSXXYYMPRLBPZ-ZETCQYMHSA-N	0	0	196.206	1.388	50	5		ADBARN
Cc1ccc([N+](=O)[O-])c(N)c1[N+](=O)[O-]	5419780	343002287	/nfs/dbraw/zinc/00/22/87/343002287.db2.gz	KZSINJBSWZJVRO-UHFFFAOYSA-N	0	0	197.150	1.394	50	5		ADBARN
Cc1cc([N+](=O)[O-])ccc1NN	5540888	343004569	/nfs/dbraw/zinc/00/45/69/343004569.db2.gz	RERPRXPTVXLOFR-UHFFFAOYSA-N	0	0	167.168	1.189	50	5	in-vitro	ADBARN
CNC(=O)c1cccc([N+](=O)[O-])c1C	5537042	343004728	/nfs/dbraw/zinc/00/47/28/343004728.db2.gz	GSHSDDOFSWMGOH-UHFFFAOYSA-N	0	0	194.190	1.263	50	5		ADBARN
CCn1cnc2ccc([N+](=O)[O-])cc21	5569546	343005122	/nfs/dbraw/zinc/00/51/22/343005122.db2.gz	SPYBNKTYLRKYAD-UHFFFAOYSA-N	0	0	191.190	1.964	50	5		ADBARN
CCC(=O)Nc1ccc([N+](=O)[O-])cn1	5735294	343007121	/nfs/dbraw/zinc/00/71/21/343007121.db2.gz	CXFLZJRNXNZWES-UHFFFAOYSA-N	0	0	195.178	1.338	50	5		ADBARN
Cc1ccc([N+](=O)[O-])c(C)c1O	5781234	343008409	/nfs/dbraw/zinc/00/84/09/343008409.db2.gz	TZASZCQVZPLXHP-UHFFFAOYSA-N	0	0	167.164	1.917	50	5	in-vitro	ADBARN
CN1CCc2cc([N+](=O)[O-])ccc21	5966798	343010717	/nfs/dbraw/zinc/01/07/17/343010717.db2.gz	VNTWOKSFYDNPED-UHFFFAOYSA-N	0	0	178.191	1.587	50	5		ADBARN
CN(C)c1ccccc1[N+](=O)[O-]	6129940	343012756	/nfs/dbraw/zinc/01/27/56/343012756.db2.gz	NPZDNLCYFLDJFA-UHFFFAOYSA-N	0	0	166.180	1.661	50	5	in-vitro	ADBARN
CNC(=O)c1cccc(C)c1[N+](=O)[O-]	6234524	343013061	/nfs/dbraw/zinc/01/30/61/343013061.db2.gz	MTRVHOUBSJVKSD-UHFFFAOYSA-N	0	0	194.190	1.263	50	5		ADBARN
CN(C)c1ccc([N+](=O)[O-])c(C=O)c1	6351307	343013683	/nfs/dbraw/zinc/01/36/83/343013683.db2.gz	MLZVRZSAMSFHHP-UHFFFAOYSA-N	0	0	194.190	1.473	50	5		ADBARN
Cc1cc([N+](=O)[O-])cc(C)n1	6266291	343013716	/nfs/dbraw/zinc/01/37/16/343013716.db2.gz	OLERZURONBJUJK-UHFFFAOYSA-N	0	0	152.153	1.607	50	5	in-vitro	ADBARN
Cc1cc(NN)ccc1[N+](=O)[O-]	6922163	343016988	/nfs/dbraw/zinc/01/69/88/343016988.db2.gz	LJZQXGVKYRUBFR-UHFFFAOYSA-N	0	0	167.168	1.189	50	5	in-vitro	ADBARN
Cc1ccncc1[N+](=O)[O-]	8294978	343018291	/nfs/dbraw/zinc/01/82/91/343018291.db2.gz	JLNRJMGYBKMDGI-UHFFFAOYSA-N	0	0	138.126	1.298	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])cc1C=O	8698489	343019452	/nfs/dbraw/zinc/01/94/52/343019452.db2.gz	JLFWTLNLOSUFMU-UHFFFAOYSA-N	0	0	165.148	1.716	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])c2[nH]ncc12	8729916	343020573	/nfs/dbraw/zinc/02/05/73/343020573.db2.gz	IALDSOZYXPLUMA-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
CCC(=O)Cn1cc(C)c([N+](=O)[O-])n1	9694723	343021759	/nfs/dbraw/zinc/02/17/59/343021759.db2.gz	BPFVXLQSUDOQAQ-UHFFFAOYSA-N	0	0	197.194	1.079	50	5		ADBARN
Cc1cc(F)cc([N+](=O)[O-])c1N	12336476	343028382	/nfs/dbraw/zinc/02/83/82/343028382.db2.gz	RQJZBCXRJPJGGV-UHFFFAOYSA-N	0	0	170.143	1.625	50	5	in-vitro	ADBARN
Cc1ccc2ncc([N+](=O)[O-])n2c1	12338629	343028437	/nfs/dbraw/zinc/02/84/37/343028437.db2.gz	CUUHOYDMDHFMIY-UHFFFAOYSA-N	0	0	177.163	1.551	50	5	in-vitro	ADBARN
CC[C@H](C)n1ccc([N+](=O)[O-])n1	12395606	343029577	/nfs/dbraw/zinc/02/95/77/343029577.db2.gz	XZAWWVYDCUUBME-LURJTMIESA-N	0	0	169.184	1.762	50	5		ADBARN
Cc1cnc(CO)c(C)c1[N+](=O)[O-]	12360042	343029089	/nfs/dbraw/zinc/02/90/89/343029089.db2.gz	KBCDOXSSYLFMHH-UHFFFAOYSA-N	0	0	182.179	1.099	50	5	in-vitro	ADBARN
C[S@](=O)c1ccccc1[N+](=O)[O-]	12367580	343029385	/nfs/dbraw/zinc/02/93/85/343029385.db2.gz	JECOZFMBKQJNDT-GFCCVEGCSA-N	0	0	185.204	1.332	50	5		ADBARN
Cc1cc([N+](=O)[O-])nn1C(C)C	12395715	343029568	/nfs/dbraw/zinc/02/95/68/343029568.db2.gz	OICXZOHWYQLZTC-UHFFFAOYSA-N	0	0	169.184	1.681	50	5		ADBARN
CC(C)n1ccc([N+](=O)[O-])n1	12395559	343029626	/nfs/dbraw/zinc/02/96/26/343029626.db2.gz	BVADIEGMRNCQSZ-UHFFFAOYSA-N	0	0	155.157	1.372	50	5		ADBARN
Cc1cc([N+](=O)[O-])nn1CC(F)F	12395859	343029818	/nfs/dbraw/zinc/02/98/18/343029818.db2.gz	CVNBVVNDUYPAHH-UHFFFAOYSA-N	0	0	191.137	1.365	50	5		ADBARN
Cc1c(Cl)c([N+](=O)[O-])nn1C	12396472	343030152	/nfs/dbraw/zinc/03/01/52/343030152.db2.gz	LYFRTXOIWIDKQA-UHFFFAOYSA-N	0	0	175.575	1.290	50	5		ADBARN
CC(C)n1nccc1[N+](=O)[O-]	12397019	343030006	/nfs/dbraw/zinc/03/00/06/343030006.db2.gz	UIQWDGQLNXKFLJ-UHFFFAOYSA-N	0	0	155.157	1.372	50	5		ADBARN
Cc1nn(C)c2ncc([N+](=O)[O-])cc12	12396072	343030113	/nfs/dbraw/zinc/03/01/13/343030113.db2.gz	KTURGOXDKHCTIS-UHFFFAOYSA-N	0	0	192.178	1.185	50	5		ADBARN
CC(C)Cn1ccc([N+](=O)[O-])n1	12396687	343030192	/nfs/dbraw/zinc/03/01/92/343030192.db2.gz	CJCOHLYFDOJEMH-UHFFFAOYSA-N	0	0	169.184	1.447	50	5		ADBARN
CC(C)Cn1nccc1[N+](=O)[O-]	12397109	343030214	/nfs/dbraw/zinc/03/02/14/343030214.db2.gz	KZODIDKKGGEMGR-UHFFFAOYSA-N	0	0	169.184	1.447	50	5		ADBARN
CNC(=O)Nc1ccc([N+](=O)[O-])cc1	12505397	343031445	/nfs/dbraw/zinc/03/14/45/343031445.db2.gz	KLRUCOUQQILQEI-UHFFFAOYSA-N	0	0	195.178	1.346	50	5	in-vitro	ADBARN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1	12956128	343032642	/nfs/dbraw/zinc/03/26/42/343032642.db2.gz	JVOZJSSFSXFDAU-LURJTMIESA-N	0	0	178.191	1.951	50	5	in-vitro	ADBARN
Cc1cccc2ncc([N+](=O)[O-])n12	13207517	343033183	/nfs/dbraw/zinc/03/31/83/343033183.db2.gz	OGZKKWYLIWRTHQ-UHFFFAOYSA-N	0	0	177.163	1.551	50	5	in-vitro	ADBARN
Cc1cccnc1[N+](=O)[O-]	13234487	343033434	/nfs/dbraw/zinc/03/34/34/343033434.db2.gz	NNHSGPKSSZLCGT-UHFFFAOYSA-N	0	0	138.126	1.298	50	5	in-vitro	ADBARN
Cc1ccnc([N+](=O)[O-])c1	13281507	343033769	/nfs/dbraw/zinc/03/37/69/343033769.db2.gz	VGENLLAEDBMNSC-UHFFFAOYSA-N	0	0	138.126	1.298	50	5	in-vitro	ADBARN
Cc1cccc([N+](=O)[O-])n1	13281516	343033775	/nfs/dbraw/zinc/03/37/75/343033775.db2.gz	DEEYZLKYZZUQPC-UHFFFAOYSA-N	0	0	138.126	1.298	50	5		ADBARN
Cc1ncccc1[N+](=O)[O-]	13208028	343033779	/nfs/dbraw/zinc/03/37/79/343033779.db2.gz	CCFGTKQIRWHYTB-UHFFFAOYSA-N	0	0	138.126	1.298	50	5	in-vitro	ADBARN
C[C@H](O)c1ccc([N+](=O)[O-])cc1	13546082	343036263	/nfs/dbraw/zinc/03/62/63/343036263.db2.gz	CRJFHXYELTYDSG-LURJTMIESA-N	0	0	167.164	1.648	50	5	in-vitro	ADBARN
Cc1ccc2c[nH]nc2c1[N+](=O)[O-]	13571658	343036925	/nfs/dbraw/zinc/03/69/25/343036925.db2.gz	MFJNZLMQVJRCIW-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
CC(C)NC(=O)c1cc([N+](=O)[O-])c[nH]1	14077234	343038137	/nfs/dbraw/zinc/03/81/37/343038137.db2.gz	YMYKXGYHVZAEKJ-UHFFFAOYSA-N	0	0	197.194	1.061	50	5		ADBARN
Cc1cc([N+](=O)[O-])cc2n[nH]cc12	14984627	343040573	/nfs/dbraw/zinc/04/05/73/343040573.db2.gz	LOUROJHPRPDTSO-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
Cc1cnc(C)c([N+](=O)[O-])c1	14982738	343040608	/nfs/dbraw/zinc/04/06/08/343040608.db2.gz	ODTIWFKSSFPXNI-UHFFFAOYSA-N	0	0	152.153	1.607	50	5		ADBARN
Cc1cc(N)cc([N+](=O)[O-])c1C	14986287	343040899	/nfs/dbraw/zinc/04/08/99/343040899.db2.gz	LRWWBVBRBWPHBA-UHFFFAOYSA-N	0	0	166.180	1.794	50	5	in-vitro	ADBARN
Cc1cc(O)cc([N+](=O)[O-])c1C	14986280	343040992	/nfs/dbraw/zinc/04/09/92/343040992.db2.gz	HKQSKINMCHAPPJ-UHFFFAOYSA-N	0	0	167.164	1.917	50	5	in-vitro	ADBARN
Cc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-]	14986266	343041105	/nfs/dbraw/zinc/04/11/05/343041105.db2.gz	DXJQKWNJVPTPSK-UHFFFAOYSA-N	0	0	188.570	1.190	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])c(F)cc1N	14985729	343041133	/nfs/dbraw/zinc/04/11/33/343041133.db2.gz	RZRYLRYVZYEYNR-UHFFFAOYSA-N	0	0	170.143	1.625	50	5		ADBARN
Cc1c(N)ccc([N+](=O)[O-])c1F	14985734	343041148	/nfs/dbraw/zinc/04/11/48/343041148.db2.gz	NFWVJCKMVIGVLF-UHFFFAOYSA-N	0	0	170.143	1.625	50	5		ADBARN
Cc1cc(C)c([N+](=O)[O-])cn1	15781252	343042629	/nfs/dbraw/zinc/04/26/29/343042629.db2.gz	GMAJNANLBOHCAU-UHFFFAOYSA-N	0	0	152.153	1.607	50	5	in-vitro	ADBARN
Cc1cncc([N+](=O)[O-])c1C	15781703	343042668	/nfs/dbraw/zinc/04/26/68/343042668.db2.gz	YBGDWMNIMXOAHA-UHFFFAOYSA-N	0	0	152.153	1.607	50	5		ADBARN
Cc1cc(C=O)ccc1[N+](=O)[O-]	16123578	343043269	/nfs/dbraw/zinc/04/32/69/343043269.db2.gz	WHJDQIWWIJARMK-UHFFFAOYSA-N	0	0	165.148	1.716	50	5	in-vitro	ADBARN
Cc1cncc([N+](=O)[O-])c1	15886705	343043262	/nfs/dbraw/zinc/04/32/62/343043262.db2.gz	OQWXZZCTJZOSGH-UHFFFAOYSA-N	0	0	138.126	1.298	50	5	in-vitro	ADBARN
Cc1nc2[nH]ccc2cc1[N+](=O)[O-]	16678048	343044092	/nfs/dbraw/zinc/04/40/92/343044092.db2.gz	DLYUJKUXLFSSDQ-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
Cc1[nH]nc2cc([N+](=O)[O-])ccc12	16677949	343044230	/nfs/dbraw/zinc/04/42/30/343044230.db2.gz	FUNWSYKLFDLUIZ-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
CC(C)Oc1n[nH]cc1[N+](=O)[O-]	18161919	343048315	/nfs/dbraw/zinc/04/83/15/343048315.db2.gz	AGROZLDMFCVKAN-UHFFFAOYSA-N	0	0	171.156	1.105	50	5		ADBARN
Cc1c2ccc([N+](=O)[O-])cc2nn1C	19045402	343049189	/nfs/dbraw/zinc/04/91/89/343049189.db2.gz	JHGRUPGVUMAQQU-UHFFFAOYSA-N	0	0	191.190	1.790	50	5	in-vitro	ADBARN
CN(C)c1ccncc1[N+](=O)[O-]	19801014	343060709	/nfs/dbraw/zinc/06/07/09/343060709.db2.gz	GEHOQYGRCHPWEJ-UHFFFAOYSA-N	0	0	167.168	1.056	50	5		ADBARN
Cc1cc([N+](=O)[O-])cc(C)c1O	19850820	343061698	/nfs/dbraw/zinc/06/16/98/343061698.db2.gz	FNORUNUDZNWQFF-UHFFFAOYSA-N	0	0	167.164	1.917	50	5	in-vitro	ADBARN
Cc1nc(C=O)ccc1[N+](=O)[O-]	19872609	343062620	/nfs/dbraw/zinc/06/26/20/343062620.db2.gz	NKZIEDOFORWCFI-UHFFFAOYSA-N	0	0	166.136	1.111	50	5		ADBARN
Cc1cc(C)c(O)c([N+](=O)[O-])c1	19943287	343064611	/nfs/dbraw/zinc/06/46/11/343064611.db2.gz	KJRCHILWKQLEBC-UHFFFAOYSA-N	0	0	167.164	1.917	50	5		ADBARN
CC(C)Nc1ccc([N+](=O)[O-])cn1	20017634	343065955	/nfs/dbraw/zinc/06/59/55/343065955.db2.gz	OCRSHDLJZUBRIH-UHFFFAOYSA-N	0	0	181.195	1.810	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])c(C)cc1O	20280883	343070720	/nfs/dbraw/zinc/07/07/20/343070720.db2.gz	DSWZKAODNLLINU-UHFFFAOYSA-N	0	0	167.164	1.917	50	5	in-vitro	ADBARN
CCc1ccc(N)cc1[N+](=O)[O-]	20282186	343070801	/nfs/dbraw/zinc/07/08/01/343070801.db2.gz	OUVUXCBBKYHSLC-UHFFFAOYSA-N	0	0	166.180	1.739	50	5	in-vitro	ADBARN
CN(C)c1ccc([N+](=O)[O-])cn1	20268690	343070832	/nfs/dbraw/zinc/07/08/32/343070832.db2.gz	UCAOGXRUJFKQAP-UHFFFAOYSA-N	0	0	167.168	1.056	50	5	in-vitro	ADBARN
CC(C)Nc1ccc([N+](=O)[O-])cc1N	20549750	343074297	/nfs/dbraw/zinc/07/42/97/343074297.db2.gz	VMCJUOGTRRIILY-UHFFFAOYSA-N	0	0	195.222	1.997	50	5	in-vitro	ADBARN
CC(C)Nc1ncccc1[N+](=O)[O-]	21806452	343075638	/nfs/dbraw/zinc/07/56/38/343075638.db2.gz	FIFYOMWPOMVFAZ-UHFFFAOYSA-N	0	0	181.195	1.810	50	5	in-vitro	ADBARN
Cc1c(F)cnc(N)c1[N+](=O)[O-]	21981865	343076762	/nfs/dbraw/zinc/07/67/62/343076762.db2.gz	LRBDERXAUBXSGI-UHFFFAOYSA-N	0	0	171.131	1.020	50	5		ADBARN
Cc1nc(N)c([N+](=O)[O-])cc1Cl	21981860	343076986	/nfs/dbraw/zinc/07/69/86/343076986.db2.gz	FRXAFHSNZJIEII-UHFFFAOYSA-N	0	0	187.586	1.534	50	5		ADBARN
Cc1c(Cl)cnc(N)c1[N+](=O)[O-]	21985718	343077005	/nfs/dbraw/zinc/07/70/05/343077005.db2.gz	LLWKTQALVZANCU-UHFFFAOYSA-N	0	0	187.586	1.534	50	5	in-vitro	ADBARN
Cc1ccc(NCCO)c([N+](=O)[O-])c1	21986906	343077211	/nfs/dbraw/zinc/07/72/11/343077211.db2.gz	SCZQUWZLEIYDBD-UHFFFAOYSA-N	0	0	196.206	1.307	50	5		ADBARN
Cc1cc(N)c([N+](=O)[O-])cc1N	22010065	343077617	/nfs/dbraw/zinc/07/76/17/343077617.db2.gz	PJRDJHIRYREDHP-UHFFFAOYSA-N	0	0	167.168	1.068	50	5		ADBARN
Cc1cc2nn(C)cc2cc1[N+](=O)[O-]	22996455	343082693	/nfs/dbraw/zinc/08/26/93/343082693.db2.gz	WUUCOIZEKRTSGE-UHFFFAOYSA-N	0	0	191.190	1.790	50	5		ADBARN
Cc1c[n+]([O-])c(C)c(C)c1[N+](=O)[O-]	26893364	343090366	/nfs/dbraw/zinc/09/03/66/343090366.db2.gz	YMBLTOGTYNFTRX-UHFFFAOYSA-N	0	0	182.179	1.153	50	5		ADBARN
CN(C)c1ccc([N+](=O)[O-])cc1N	29753774	343093012	/nfs/dbraw/zinc/09/30/12/343093012.db2.gz	ADPVQLSOQDWABD-UHFFFAOYSA-N	0	0	181.195	1.243	50	5	in-vitro	ADBARN
COC(=O)c1c(C)cccc1[N+](=O)[O-]	32202911	343100800	/nfs/dbraw/zinc/10/08/00/343100800.db2.gz	XPVBLOOMFDNJTH-UHFFFAOYSA-N	0	0	195.174	1.690	50	5		ADBARN
O=[N+]([O-])c1ccc2cncnc2c1	32220240	343101209	/nfs/dbraw/zinc/10/12/09/343101209.db2.gz	GDYMOWJSENQTNU-UHFFFAOYSA-N	0	0	175.147	1.538	50	5		ADBARN
CNC(=O)c1ccc(F)c([N+](=O)[O-])c1	32579461	343102760	/nfs/dbraw/zinc/10/27/60/343102760.db2.gz	LTGYDUQSOZFFEM-UHFFFAOYSA-N	0	0	198.153	1.094	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])cc(N)c1O	33846140	343107344	/nfs/dbraw/zinc/10/73/44/343107344.db2.gz	ZDMBLPBTZZZSIW-UHFFFAOYSA-N	0	0	168.152	1.191	50	5	in-vitro	ADBARN
Cc1cccc(C=O)c1[N+](=O)[O-]	34091661	343110245	/nfs/dbraw/zinc/11/02/45/343110245.db2.gz	HAGUMWGXABFJMN-UHFFFAOYSA-N	0	0	165.148	1.716	50	5	in-vitro	ADBARN
Cc1cc(C=O)cc([N+](=O)[O-])c1	34143078	343111696	/nfs/dbraw/zinc/11/16/96/343111696.db2.gz	JXJUTTOJJMSVBB-UHFFFAOYSA-N	0	0	165.148	1.716	50	5	in-vitro	ADBARN
Cc1cc(CO)cc([N+](=O)[O-])c1	34212398	343113604	/nfs/dbraw/zinc/11/36/04/343113604.db2.gz	IVYZQNHRDOGBHH-UHFFFAOYSA-N	0	0	167.164	1.396	50	5	in-vitro	ADBARN
Cc1cccc([N+](=O)[O-])c1C=O	34225532	343114170	/nfs/dbraw/zinc/11/41/70/343114170.db2.gz	LBHWNZFYCKTRFN-UHFFFAOYSA-N	0	0	165.148	1.716	50	5	in-vitro	ADBARN
Cc1nccc(Cl)c1[N+](=O)[O-]	34300457	343116106	/nfs/dbraw/zinc/11/61/06/343116106.db2.gz	NRXOKEODPIKBFA-UHFFFAOYSA-N	0	0	172.571	1.952	50	5	in-vitro	ADBARN
Cc1cc(C=O)ncc1[N+](=O)[O-]	34320133	343116315	/nfs/dbraw/zinc/11/63/15/343116315.db2.gz	OBGLQHSGHQAMLV-UHFFFAOYSA-N	0	0	166.136	1.111	50	5		ADBARN
Cc1cc(F)c([N+](=O)[O-])cc1O	34499488	343120415	/nfs/dbraw/zinc/12/04/15/343120415.db2.gz	RSHVJZUBABFJRL-UHFFFAOYSA-N	0	0	171.127	1.748	50	5	in-vitro	ADBARN
COCCc1ccccc1[N+](=O)[O-]	34534202	343121081	/nfs/dbraw/zinc/12/10/81/343121081.db2.gz	GQDDMTHRSOAJBJ-UHFFFAOYSA-N	0	0	181.191	1.784	50	5		ADBARN
O=[N+]([O-])[C@@H]1C[C@H]1c1ccccc1	34588921	343122373	/nfs/dbraw/zinc/12/23/73/343122373.db2.gz	XRNLPUUQLOMTGY-DTWKUNHWSA-N	0	0	163.176	1.819	50	5		ADBARN
Cc1c([N+](=O)[O-])ccc2[nH]cnc12	34761466	343124901	/nfs/dbraw/zinc/12/49/01/343124901.db2.gz	OUNJNOIRCNXHMH-UHFFFAOYSA-N	0	0	177.163	1.780	50	5		ADBARN
Cc1cc(N)c(O)c([N+](=O)[O-])c1	35566950	343133220	/nfs/dbraw/zinc/13/32/20/343133220.db2.gz	AJWIWEGQLDDWQC-UHFFFAOYSA-N	0	0	168.152	1.191	50	5		ADBARN
Cc1ccc([N+](=O)[O-])c(C=O)c1	36448034	343145672	/nfs/dbraw/zinc/14/56/72/343145672.db2.gz	SKQIOXLCRQVPAT-UHFFFAOYSA-N	0	0	165.148	1.716	50	5	in-vitro	ADBARN
Cc1ccc(C(N)=S)cc1[N+](=O)[O-]	36533338	343146639	/nfs/dbraw/zinc/14/66/39/343146639.db2.gz	PGQMEJDSPAENNP-UHFFFAOYSA-N	0	0	196.231	1.537	50	5		ADBARN
Cc1cccc([N+](=O)[O-])c1C(N)=O	36965002	343156931	/nfs/dbraw/zinc/15/69/31/343156931.db2.gz	DOQGEYYGGHYOJZ-UHFFFAOYSA-N	0	0	180.163	1.002	50	5	in-vitro	ADBARN
Cc1n[nH]c2ccc([N+](=O)[O-])cc12	37625902	343172315	/nfs/dbraw/zinc/17/23/15/343172315.db2.gz	ZGDNJFXKELMVLS-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
Cc1[nH]c(C=O)c(C)c1[N+](=O)[O-]	37624307	343172350	/nfs/dbraw/zinc/17/23/50/343172350.db2.gz	OOVLXRNEZYLZRL-UHFFFAOYSA-N	0	0	168.152	1.352	50	5		ADBARN
Cc1cnc(NC2CC2)c([N+](=O)[O-])c1	38537016	343188891	/nfs/dbraw/zinc/18/88/91/343188891.db2.gz	RYYZDVJHHQGCAS-UHFFFAOYSA-N	0	0	193.206	1.873	50	5		ADBARN
Cc1cc(F)c(N)cc1[N+](=O)[O-]	38856117	343191563	/nfs/dbraw/zinc/19/15/63/343191563.db2.gz	OUNUNDAIKLDJAY-UHFFFAOYSA-N	0	0	170.143	1.625	50	5	in-vitro	ADBARN
Cc1cccc([N+](=O)[O-])c1CO	38887455	343191980	/nfs/dbraw/zinc/19/19/80/343191980.db2.gz	LIUYFMADDYMHLM-UHFFFAOYSA-N	0	0	167.164	1.396	50	5	in-vitro	ADBARN
Cc1cc(N)c([N+](=O)[O-])cc1F	39133641	343203385	/nfs/dbraw/zinc/20/33/85/343203385.db2.gz	CLZLGCQRNQTZRE-UHFFFAOYSA-N	0	0	170.143	1.625	50	5	in-vitro	ADBARN
CCc1ccc([N+](=O)[O-])cc1O	39133644	343203355	/nfs/dbraw/zinc/20/33/55/343203355.db2.gz	CQFIMSVIDUTMLT-UHFFFAOYSA-N	0	0	167.164	1.863	50	5		ADBARN
Cc1cc(C)c([N+](=O)[O-])cc1O	39133577	343203370	/nfs/dbraw/zinc/20/33/70/343203370.db2.gz	OMVAMPJZESGWII-UHFFFAOYSA-N	0	0	167.164	1.917	50	5		ADBARN
Cc1cc([N+](=O)[O-])ccc1CO	39133574	343203475	/nfs/dbraw/zinc/20/34/75/343203475.db2.gz	PXSWIWNWHAUARP-UHFFFAOYSA-N	0	0	167.164	1.396	50	5	in-vitro	ADBARN
Cc1cc(F)c([N+](=O)[O-])cc1N	39133591	343203490	/nfs/dbraw/zinc/20/34/90/343203490.db2.gz	LHIUCVZCVMTRNG-UHFFFAOYSA-N	0	0	170.143	1.625	50	5	in-vitro	ADBARN
Cc1cc(N)c(N)cc1[N+](=O)[O-]	39213662	343206491	/nfs/dbraw/zinc/20/64/91/343206491.db2.gz	VBZQQOZFOSOFLO-UHFFFAOYSA-N	0	0	167.168	1.068	50	5		ADBARN
Cc1c(N)cc(N)c(C)c1[N+](=O)[O-]	39234607	343206998	/nfs/dbraw/zinc/20/69/98/343206998.db2.gz	JZBIUSKLYGPDAP-UHFFFAOYSA-N	0	0	181.195	1.376	50	5		ADBARN
O=[N+]([O-])[C@H]1C[C@@H]1c1ccccc1	39245693	343207819	/nfs/dbraw/zinc/20/78/19/343207819.db2.gz	XRNLPUUQLOMTGY-BDAKNGLRSA-N	0	0	163.176	1.819	50	5		ADBARN
O=[N+]([O-])[C@@H]1C[C@@H]1c1ccccc1	39245694	343207901	/nfs/dbraw/zinc/20/79/01/343207901.db2.gz	XRNLPUUQLOMTGY-RKDXNWHRSA-N	0	0	163.176	1.819	50	5		ADBARN
Cc1csc([N+](=O)[O-])c1	39248242	343208040	/nfs/dbraw/zinc/20/80/40/343208040.db2.gz	QVMCRMQUFCQCNB-UHFFFAOYSA-N	0	0	143.167	1.965	50	5		ADBARN
Nc1cc2c(cc1[N+](=O)[O-])OCC2	39386426	343211448	/nfs/dbraw/zinc/21/14/48/343211448.db2.gz	BTYCNIIIWYDUOF-UHFFFAOYSA-N	0	0	180.163	1.112	50	5		ADBARN
O=[N+]([O-])c1ccc(-n2ccnn2)cc1	39401602	343211734	/nfs/dbraw/zinc/21/17/34/343211734.db2.gz	ZJBBZUJIVMYQNQ-UHFFFAOYSA-N	0	0	190.162	1.176	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])c(C(N)=O)c1	39433755	343212478	/nfs/dbraw/zinc/21/24/78/343212478.db2.gz	KNJDDEARUYAGMA-UHFFFAOYSA-N	0	0	180.163	1.002	50	5		ADBARN
Cc1cc(CO)c(O)c([N+](=O)[O-])c1	39426021	343212637	/nfs/dbraw/zinc/21/26/37/343212637.db2.gz	SFEKVEMUJBHBLK-UHFFFAOYSA-N	0	0	183.163	1.101	50	5		ADBARN
Cc1c(O)ccc([N+](=O)[O-])c1C	39603499	343213326	/nfs/dbraw/zinc/21/33/26/343213326.db2.gz	DAEZHJNJHQAEPE-UHFFFAOYSA-N	0	0	167.164	1.917	50	5	in-vitro	ADBARN
CN(CCO)c1ccccc1[N+](=O)[O-]	39648643	343213517	/nfs/dbraw/zinc/21/35/17/343213517.db2.gz	KEWKYHASHFMCQD-UHFFFAOYSA-N	0	0	196.206	1.023	50	5		ADBARN
Cc1cncc(C)c1[N+](=O)[O-]	39646579	343213589	/nfs/dbraw/zinc/21/35/89/343213589.db2.gz	DIBQGBVBDZKSBC-UHFFFAOYSA-N	0	0	152.153	1.607	50	5		ADBARN
Cc1nc2c(C)cccn2c1[N+](=O)[O-]	40163512	343215428	/nfs/dbraw/zinc/21/54/28/343215428.db2.gz	XWWCHTDGTULAHQ-UHFFFAOYSA-N	0	0	191.190	1.859	50	5		ADBARN
CC(C)c1n[nH]cc1[N+](=O)[O-]	42415200	343242253	/nfs/dbraw/zinc/24/22/53/343242253.db2.gz	NQTVWBQUVAWSQD-UHFFFAOYSA-N	0	0	155.157	1.441	50	5		ADBARN
Cc1c[nH]c(=S)c([N+](=O)[O-])c1	43224390	343250909	/nfs/dbraw/zinc/25/09/09/343250909.db2.gz	FHQQQGHOVLBHIU-UHFFFAOYSA-N	0	0	170.193	1.587	50	5		ADBARN
Cc1cnc2[nH]cc([N+](=O)[O-])c2c1	44712666	343268098	/nfs/dbraw/zinc/26/80/98/343268098.db2.gz	OWGGSXQRLHNDGC-UHFFFAOYSA-N	0	0	177.163	1.780	50	5		ADBARN
Cc1cc2cc([N+](=O)[O-])cnc2[nH]1	44712799	343268354	/nfs/dbraw/zinc/26/83/54/343268354.db2.gz	IWFJRRNZXJEJGF-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])ccc1C(N)=O	44747846	343269071	/nfs/dbraw/zinc/26/90/71/343269071.db2.gz	PVKLVGVLMCIHII-UHFFFAOYSA-N	0	0	180.163	1.002	50	5		ADBARN
Cc1nc2n(c1[N+](=O)[O-])CCCC2	45027512	343270609	/nfs/dbraw/zinc/27/06/09/343270609.db2.gz	ZAVSPOACOGZCSX-UHFFFAOYSA-N	0	0	181.195	1.436	50	5		ADBARN
Cc1nn(CC(F)F)cc1[N+](=O)[O-]	47474147	343273116	/nfs/dbraw/zinc/27/31/16/343273116.db2.gz	GJZJOWIMJNCWCG-UHFFFAOYSA-N	0	0	191.137	1.365	50	5		ADBARN
Cc1nn(C(F)F)cc1[N+](=O)[O-]	47474244	343273227	/nfs/dbraw/zinc/27/32/27/343273227.db2.gz	XRGJNGZHYWMYPQ-UHFFFAOYSA-N	0	0	177.110	1.495	50	5		ADBARN
Cc1noc(/C=C/N(C)C)c1[N+](=O)[O-]	52533988	343306099	/nfs/dbraw/zinc/30/60/99/343306099.db2.gz	RWJVMTFPQZAWIY-SNAWJCMRSA-N	0	0	197.194	1.424	50	5		ADBARN
CNC(=O)c1ccc([N+](=O)[O-])c(F)c1	54415760	343323621	/nfs/dbraw/zinc/32/36/21/343323621.db2.gz	NWCCVNYDXFXGOD-UHFFFAOYSA-N	0	0	198.153	1.094	50	5		ADBARN
CN(C)/C=C/c1ccncc1[N+](=O)[O-]	54960077	343332076	/nfs/dbraw/zinc/33/20/76/343332076.db2.gz	YYUSZTQRCCAPDJ-GQCTYLIASA-N	0	0	193.206	1.522	50	5		ADBARN
Cc1nc(Cl)ncc1[N+](=O)[O-]	57218815	343336819	/nfs/dbraw/zinc/33/68/19/343336819.db2.gz	IJVDFYRAYUHAIL-UHFFFAOYSA-N	0	0	173.559	1.347	50	5	in-vitro	ADBARN
Cc1ncc(Cl)cc1[N+](=O)[O-]	59788544	343347889	/nfs/dbraw/zinc/34/78/89/343347889.db2.gz	YEJGWUTXWBGOPG-UHFFFAOYSA-N	0	0	172.571	1.952	50	5	in-vitro	ADBARN
CCCCn1cc([N+](=O)[O-])cn1	67799268	343410705	/nfs/dbraw/zinc/41/07/05/343410705.db2.gz	CQFDLUGTBUUXMU-UHFFFAOYSA-N	0	0	169.184	1.591	50	5	in-vitro	ADBARN
CC(C)Cn1cc([N+](=O)[O-])cn1	67800386	343411138	/nfs/dbraw/zinc/41/11/38/343411138.db2.gz	BFSLMECOJXKWQR-UHFFFAOYSA-N	0	0	169.184	1.447	50	5		ADBARN
CNC(=O)c1ccc([N+](=O)[O-])cc1F	70190712	343478142	/nfs/dbraw/zinc/47/81/42/343478142.db2.gz	CWGRZEVFBBAKCD-UHFFFAOYSA-N	0	0	198.153	1.094	50	5	in-vitro	ADBARN
Cc1ncc([N+](=O)[O-])cc1Cl	71256142	343551556	/nfs/dbraw/zinc/55/15/56/343551556.db2.gz	KEQYIUZGVFBSNL-UHFFFAOYSA-N	0	0	172.571	1.952	50	5	in-vitro	ADBARN
Cc1cc2nccn2cc1[N+](=O)[O-]	71257115	343551700	/nfs/dbraw/zinc/55/17/00/343551700.db2.gz	DUHWKOXBDNMSET-UHFFFAOYSA-N	0	0	177.163	1.551	50	5	in-vitro	ADBARN
Cc1[nH]nc2ncc([N+](=O)[O-])cc12	71261640	343551758	/nfs/dbraw/zinc/55/17/58/343551758.db2.gz	VHUAFDKORZHXOD-UHFFFAOYSA-N	0	0	178.151	1.175	50	5	in-vitro	ADBARN
CCn1c(C)c([N+](=O)[O-])ccc1=O	71526667	343556245	/nfs/dbraw/zinc/55/62/45/343556245.db2.gz	ZEFINVBVIJQTNH-UHFFFAOYSA-N	0	0	182.179	1.085	50	5		ADBARN
Cc1cc(Cl)c([N+](=O)[O-])c(=O)[nH]1	71625135	343556853	/nfs/dbraw/zinc/55/68/53/343556853.db2.gz	LXOGQFQXRSVZRP-UHFFFAOYSA-N	0	0	188.570	1.245	50	5		ADBARN
Cc1ccc(CO)c([N+](=O)[O-])c1	71622018	343556885	/nfs/dbraw/zinc/55/68/85/343556885.db2.gz	QNJCSIZDJFUHBA-UHFFFAOYSA-N	0	0	167.164	1.396	50	5	in-vitro	ADBARN
Cc1cc(CCO)ccc1[N+](=O)[O-]	71773719	343557530	/nfs/dbraw/zinc/55/75/30/343557530.db2.gz	IUHPKTJNAUTYMK-UHFFFAOYSA-N	0	0	181.191	1.438	50	5		ADBARN
Cc1c([N+](=O)[O-])nnc2ccccc12	71790421	343558802	/nfs/dbraw/zinc/55/88/02/343558802.db2.gz	OWQASWALVUVONK-UHFFFAOYSA-N	0	0	189.174	1.846	50	5	in-vitro	ADBARN
CN(C)c1ccc(O)cc1[N+](=O)[O-]	72194404	343560719	/nfs/dbraw/zinc/56/07/19/343560719.db2.gz	NGGPMGZIWRXMGU-UHFFFAOYSA-N	0	0	182.179	1.366	50	5		ADBARN
Cc1cscc1[N+](=O)[O-]	78318358	343582416	/nfs/dbraw/zinc/58/24/16/343582416.db2.gz	XKXBYELYBUIZSM-UHFFFAOYSA-N	0	0	143.167	1.965	50	5		ADBARN
Cc1cc([N+](=O)[O-])ccc1OCCO	79421364	343588474	/nfs/dbraw/zinc/58/84/74/343588474.db2.gz	XPNUVSNIQQYQFE-UHFFFAOYSA-N	0	0	197.190	1.274	50	5	in-vitro	ADBARN
Cc1ccc([N+](=O)[O-])c(N)c1F	81990519	343594663	/nfs/dbraw/zinc/59/46/63/343594663.db2.gz	ZSDGOICOFHCJJL-UHFFFAOYSA-N	0	0	170.143	1.625	50	5	in-vitro	ADBARN
Cc1cc(Cl)nc(N)c1[N+](=O)[O-]	82046736	343594947	/nfs/dbraw/zinc/59/49/47/343594947.db2.gz	LPKQALYNXQIMFD-UHFFFAOYSA-N	0	0	187.586	1.534	50	5	in-vitro	ADBARN
C[C@H]1CNc2cc([N+](=O)[O-])ccc2O1	83254227	343617382	/nfs/dbraw/zinc/61/73/82/343617382.db2.gz	WTAGNTAYRIAHAZ-LURJTMIESA-N	0	0	194.190	1.788	50	5		ADBARN
Cc1cc(C(N)=S)ccc1[N+](=O)[O-]	83342493	343618990	/nfs/dbraw/zinc/61/89/90/343618990.db2.gz	QNPFIXDGSZDAGC-UHFFFAOYSA-N	0	0	196.231	1.537	50	5		ADBARN
CC(C)Nc1ccc([N+](=O)[O-])c(N)n1	83823831	343624699	/nfs/dbraw/zinc/62/46/99/343624699.db2.gz	KIEFXUSPHDNXKF-UHFFFAOYSA-N	0	0	196.210	1.392	50	5		ADBARN
CCn1nc(C)c([N+](=O)[O-])c1Cl	85019151	343638731	/nfs/dbraw/zinc/63/87/31/343638731.db2.gz	JUEYFGYMSCITJF-UHFFFAOYSA-N	0	0	189.602	1.773	50	5	in-vitro	ADBARN
CN1Cc2ccc([N+](=O)[O-])cc2C1=O	85389461	343642535	/nfs/dbraw/zinc/64/25/35/343642535.db2.gz	ZAEFFIFTXQYMPA-UHFFFAOYSA-N	0	0	192.174	1.180	50	5	in-vitro	ADBARN
Cc1nn(C)c2cc([N+](=O)[O-])ccc12	87493393	343661999	/nfs/dbraw/zinc/66/19/99/343661999.db2.gz	RUTULKJFQZYUDG-UHFFFAOYSA-N	0	0	191.190	1.790	50	5	in-vitro	ADBARN
Cc1c([N+](=O)[O-])ccc2nccn12	89202333	343672765	/nfs/dbraw/zinc/67/27/65/343672765.db2.gz	KRGMAOFLPPPRHV-UHFFFAOYSA-N	0	0	177.163	1.551	50	5		ADBARN
Cc1ccn2ccnc2c1[N+](=O)[O-]	89202627	343673005	/nfs/dbraw/zinc/67/30/05/343673005.db2.gz	QHUYCKIFEZBJQG-UHFFFAOYSA-N	0	0	177.163	1.551	50	5	in-vitro	ADBARN
Cc1cc2c(cc1[N+](=O)[O-])NCC2	90225737	343675120	/nfs/dbraw/zinc/67/51/20/343675120.db2.gz	BMGLKQQAARHMOW-UHFFFAOYSA-N	0	0	178.191	1.871	50	5	in-vitro	ADBARN
Cc1c2cc([N+](=O)[O-])ccc2nn1C	91302183	343677404	/nfs/dbraw/zinc/67/74/04/343677404.db2.gz	QHLFEOXDVSNQHC-UHFFFAOYSA-N	0	0	191.190	1.790	50	5		ADBARN
Cc1nc2c(C)cc([N+](=O)[O-])cn2n1	94992654	343678608	/nfs/dbraw/zinc/67/86/08/343678608.db2.gz	ILMVTBWTHIMKBP-UHFFFAOYSA-N	0	0	192.178	1.254	50	5		ADBARN
Cc1ccnc([N+](=O)[O-])c1[O-]	95093511	343680908	/nfs/dbraw/zinc/68/09/08/343680908.db2.gz	COIBQJMOZNXKIB-UHFFFAOYSA-N	0	0	154.125	1.004	50	5	in-vitro	ADBARN
CCn1ncc([N+](=O)[O-])c1Cl	95097394	343681879	/nfs/dbraw/zinc/68/18/79/343681879.db2.gz	AGWUMLSWBDBGLI-UHFFFAOYSA-N	0	0	175.575	1.465	50	5		ADBARN
Cc1nn(CCF)cc1[N+](=O)[O-]	95098651	343682298	/nfs/dbraw/zinc/68/22/98/343682298.db2.gz	WEBMFFAOYTXXND-UHFFFAOYSA-N	0	0	173.147	1.069	50	5		ADBARN
Cc1cc(F)c(O)cc1[N+](=O)[O-]	95217840	343682469	/nfs/dbraw/zinc/68/24/69/343682469.db2.gz	VYCDLDNAWPSNMM-UHFFFAOYSA-N	0	0	171.127	1.748	50	5		ADBARN
Cc1cc([N+](=O)[O-])nn1CC(C)C	95098567	343682643	/nfs/dbraw/zinc/68/26/43/343682643.db2.gz	CTMOMCDNOVTFNV-UHFFFAOYSA-N	0	0	183.211	1.756	50	5		ADBARN
Cc1c([N+](=O)[O-])ccc2c1CCN2	95496164	343683638	/nfs/dbraw/zinc/68/36/38/343683638.db2.gz	XZXMLIIFZFXIHW-UHFFFAOYSA-N	0	0	178.191	1.871	50	5		ADBARN
Cc1cc([N+](=O)[O-])cn2c(C)nnc12	95496145	343683792	/nfs/dbraw/zinc/68/37/92/343683792.db2.gz	GKMNUWYJEWYKIS-UHFFFAOYSA-N	0	0	192.178	1.254	50	5	in-vitro	ADBARN
CCC(=O)CC[C@H](C)[N+](=O)[O-]	95496173	343683857	/nfs/dbraw/zinc/68/38/57/343683857.db2.gz	ZYKAXLRSLQVORW-LURJTMIESA-N	0	0	159.185	1.411	50	5		ADBARN
Cc1cc(Cl)c([N+](=O)[O-])cn1	95762177	343687783	/nfs/dbraw/zinc/68/77/83/343687783.db2.gz	JIDYHMKFZYTPEA-UHFFFAOYSA-N	0	0	172.571	1.952	50	5	in-vitro	ADBARN
Cc1cnn(CCF)c1[N+](=O)[O-]	95836808	343688719	/nfs/dbraw/zinc/68/87/19/343688719.db2.gz	PDMQNHZFMMUXDQ-UHFFFAOYSA-N	0	0	173.147	1.069	50	5		ADBARN
Cc1cn(CCF)nc1[N+](=O)[O-]	95836804	343688730	/nfs/dbraw/zinc/68/87/30/343688730.db2.gz	LUVFXYPOOCHJPA-UHFFFAOYSA-N	0	0	173.147	1.069	50	5		ADBARN
CCCn1cc(C)c([N+](=O)[O-])n1	96029577	343692926	/nfs/dbraw/zinc/69/29/26/343692926.db2.gz	QGGGKOBKASYFQA-UHFFFAOYSA-N	0	0	169.184	1.510	50	5		ADBARN
Cc1nn(CC(C)C)cc1[N+](=O)[O-]	96029589	343693414	/nfs/dbraw/zinc/69/34/14/343693414.db2.gz	UDFWBCBRVQSFPM-UHFFFAOYSA-N	0	0	183.211	1.756	50	5		ADBARN
Cc1c(Cl)cncc1[N+](=O)[O-]	96300610	343695416	/nfs/dbraw/zinc/69/54/16/343695416.db2.gz	QEIZEUNCWAJMLN-UHFFFAOYSA-N	0	0	172.571	1.952	50	5	in-vitro	ADBARN
Cc1c[nH]c2ncc([N+](=O)[O-])cc12	96372389	343696840	/nfs/dbraw/zinc/69/68/40/343696840.db2.gz	IWQDJDICMFEZLB-UHFFFAOYSA-N	0	0	177.163	1.780	50	5	in-vitro	ADBARN
Cc1cnc2c([N+](=O)[O-])cccc2n1	98175253	343705544	/nfs/dbraw/zinc/70/55/44/343705544.db2.gz	SUHMXKSMCSGFJI-UHFFFAOYSA-N	0	0	189.174	1.846	50	5		ADBARN
Cc1cc(Cl)cnc1[N+](=O)[O-]	98178479	343706080	/nfs/dbraw/zinc/70/60/80/343706080.db2.gz	JQKDQMHAQKONAB-UHFFFAOYSA-N	0	0	172.571	1.952	50	5		ADBARN
Cc1c([N+](=O)[O-])cncc1[N+](=O)[O-]	98180701	343706520	/nfs/dbraw/zinc/70/65/20/343706520.db2.gz	TWSPEQRWUUBWAJ-UHFFFAOYSA-N	0	0	183.123	1.206	50	5	in-vitro	ADBARN
CN(C(N)=O)c1cccc([N+](=O)[O-])c1	98209798	343706977	/nfs/dbraw/zinc/70/69/77/343706977.db2.gz	RKHSNFNOMNHMGF-UHFFFAOYSA-N	0	0	195.178	1.110	50	5		ADBARN
C[N+](C)(C)CC1=CC=C[CH]1	100054388	343709960	/nfs/dbraw/zinc/70/99/60/343709960.db2.gz	ITTUJKIGENPKFG-UHFFFAOYSA-N	0	0	137.226	1.098	50	5		ADBARN
CNC(=O)c1cc(F)cc([N+](=O)[O-])c1	113702072	343760055	/nfs/dbraw/zinc/76/00/55/343760055.db2.gz	FFFXXWWYXCWMTH-UHFFFAOYSA-N	0	0	198.153	1.094	50	5		ADBARN
Cc1ccc(C(N)=O)c([N+](=O)[O-])c1	113752670	343760513	/nfs/dbraw/zinc/76/05/13/343760513.db2.gz	VWKSRDFIGWFBMV-UHFFFAOYSA-N	0	0	180.163	1.002	50	5		ADBARN
O=[N+]([O-])c1ccnc(C2CC2)c1	114065479	343761404	/nfs/dbraw/zinc/76/14/04/343761404.db2.gz	ZWGBCDQRQJOMMV-UHFFFAOYSA-N	0	0	164.164	1.867	50	5	in-vitro	ADBARN
CN(C)c1ccc([N+](=O)[O-])nc1	115232053	343766216	/nfs/dbraw/zinc/76/62/16/343766216.db2.gz	PDOHFLCDPWIDHH-UHFFFAOYSA-N	0	0	167.168	1.056	50	5		ADBARN
CCOC(=O)CC(C)(C)C[N+](=O)[O-]	115707920	343767314	/nfs/dbraw/zinc/76/73/14/343767314.db2.gz	UXVSMZJRKNDLII-UHFFFAOYSA-N	0	0	189.211	1.243	50	5		ADBARN
CCOc1ccc([N+](=O)[O-])c(C)n1	115831475	343767757	/nfs/dbraw/zinc/76/77/57/343767757.db2.gz	JNZWZIHXRYOWGB-UHFFFAOYSA-N	0	0	182.179	1.697	50	5		ADBARN
COc1cc2c(cc1[N+](=O)[O-])NCC2	118295733	343774946	/nfs/dbraw/zinc/77/49/46/343774946.db2.gz	XTJWZASEAYSGRT-UHFFFAOYSA-N	0	0	194.190	1.571	50	5	in-vitro	ADBARN
CCc1cccc([N+](=O)[O-])c1N	118846220	343776541	/nfs/dbraw/zinc/77/65/41/343776541.db2.gz	GZOOCJUOEDETNE-UHFFFAOYSA-N	0	0	166.180	1.739	50	5		ADBARN
Cc1cc([N+](=O)[O-])c(N)cc1F	125104795	343788769	/nfs/dbraw/zinc/78/87/69/343788769.db2.gz	IIUQXQQDJLQLCC-UHFFFAOYSA-N	0	0	170.143	1.625	50	5	in-vitro	ADBARN
Cc1cc([N+](=O)[O-])cc(F)c1N	135242564	343957870	/nfs/dbraw/zinc/95/78/70/343957870.db2.gz	ACSUPFMVHUMTGD-UHFFFAOYSA-N	0	0	170.143	1.625	50	5		ADBARN
Cc1cc([N+](=O)[O-])c(C)nc1C	137995051	343987605	/nfs/dbraw/zinc/98/76/05/343987605.db2.gz	SQMWLYMSEHAAGN-UHFFFAOYSA-N	0	0	166.180	1.915	50	5		ADBARN
CN(C)c1ccc(F)c([N+](=O)[O-])c1	139231237	343993751	/nfs/dbraw/zinc/99/37/51/343993751.db2.gz	OMHCRMSZWANSHP-UHFFFAOYSA-N	0	0	184.170	1.800	50	5		ADBARN
O=[N+]([O-])c1ccc2c(F)n[nH]c2c1	140007748	343997373	/nfs/dbraw/zinc/99/73/73/343997373.db2.gz	SLHOJJOAGOHGNL-UHFFFAOYSA-N	0	0	181.126	1.610	50	5		ADBARN
O=[N+]([O-])c1ccc(F)c(CCCO)c1	141337884	344005215	/nfs/dbraw/zinc/00/52/15/344005215.db2.gz	VUDCHEGYZXXBBD-UHFFFAOYSA-N	0	0	199.181	1.659	50	5		ADBARN
COc1c(F)ccc([N+](=O)[O-])c1F	145765145	344035647	/nfs/dbraw/zinc/03/56/47/344035647.db2.gz	CWPLDAOSFHZEKL-UHFFFAOYSA-N	0	0	189.117	1.882	50	5		ADBARN
COCCOc1cccc([N+](=O)[O-])c1	146048107	344038218	/nfs/dbraw/zinc/03/82/18/344038218.db2.gz	MIXOUNZKSILZLJ-UHFFFAOYSA-N	0	0	197.190	1.620	50	5		ADBARN
Cc1c([N+](=O)[O-])ccc(F)c1CO	146359316	344040793	/nfs/dbraw/zinc/04/07/93/344040793.db2.gz	WUKHWFLFJANGHX-UHFFFAOYSA-N	0	0	185.154	1.535	50	5		ADBARN
Cc1[nH]cc([N+](=O)[O-])c(=O)c1C	148990937	344061325	/nfs/dbraw/zinc/06/13/25/344061325.db2.gz	WFKHHAYANCSHGZ-UHFFFAOYSA-N	0	0	168.152	1.312	50	5	in-vitro	ADBARN
CCOc1ncc([N+](=O)[O-])cc1C	149640602	344069035	/nfs/dbraw/zinc/06/90/35/344069035.db2.gz	KPNCICPPUAUBOY-UHFFFAOYSA-N	0	0	182.179	1.697	50	5		ADBARN
Cn1ccc2cc([N+](=O)[O-])cnc21	149931914	344073719	/nfs/dbraw/zinc/07/37/19/344073719.db2.gz	OIMUASCYJUQGSD-UHFFFAOYSA-N	0	0	177.163	1.482	50	5		ADBARN
C[S@@](=O)Cc1cccc([N+](=O)[O-])c1	150337881	344080407	/nfs/dbraw/zinc/08/04/07/344080407.db2.gz	UWKGKAZBUKEURD-ZDUSSCGKSA-N	0	0	199.231	1.473	50	5	in-vitro	ADBARN
Nc1nccc2ccc([N+](=O)[O-])cc12	164014109	344234857	/nfs/dbraw/zinc/23/48/57/344234857.db2.gz	OCZGKOHVBQYFSW-UHFFFAOYSA-N	0	0	189.174	1.725	50	5	in-vitro	ADBARN
Cc1cc(F)c(C=O)cc1[N+](=O)[O-]	169725190	344351767	/nfs/dbraw/zinc/35/17/67/344351767.db2.gz	FRDWVXUIJCCEQG-UHFFFAOYSA-N	0	0	183.138	1.855	50	5		ADBARN
O=[N+]([O-])[C@H](F)Cc1ccccc1	196272212	344356388	/nfs/dbraw/zinc/35/63/88/344356388.db2.gz	WFJPQNZLPSGBFO-QMMMGPOBSA-N	0	0	169.155	1.801	50	5		ADBARN
O=[N+]([O-])[C@@H](F)Cc1ccccc1	196272206	344356615	/nfs/dbraw/zinc/35/66/15/344356615.db2.gz	WFJPQNZLPSGBFO-MRVPVSSYSA-N	0	0	169.155	1.801	50	5		ADBARN
CCCn1cnc([N+](=O)[O-])c1	196711995	344358851	/nfs/dbraw/zinc/35/88/51/344358851.db2.gz	YYYLBBHRZVIYQC-UHFFFAOYSA-N	0	0	155.157	1.201	50	5		ADBARN
O=[N+]([O-])c1cc(F)c2c(c1)CCN2	204796388	344370042	/nfs/dbraw/zinc/37/00/42/344370042.db2.gz	HRSVTAASZBEJPK-UHFFFAOYSA-N	0	0	182.154	1.702	50	5	in-vitro	ADBARN
Cc1c[nH]c2nccc([N+](=O)[O-])c12	206024543	344375118	/nfs/dbraw/zinc/37/51/18/344375118.db2.gz	VSUOHIJYKFLZLY-UHFFFAOYSA-N	0	0	177.163	1.780	50	5		ADBARN
COCOCc1cccc([N+](=O)[O-])c1	212119836	344379436	/nfs/dbraw/zinc/37/94/36/344379436.db2.gz	DPWNGUMIPOBEJU-UHFFFAOYSA-N	0	0	197.190	1.715	50	5		ADBARN
O=[N+]([O-])c1ccnc(F)c1F	212084966	344379645	/nfs/dbraw/zinc/37/96/45/344379645.db2.gz	RFCIQHKNMWBTFV-UHFFFAOYSA-N	0	0	160.079	1.268	50	5		ADBARN
Cc1c([N+](=O)[O-])ccc(F)c1N	216715067	344399349	/nfs/dbraw/zinc/39/93/49/344399349.db2.gz	BKPALQLYSLKWGR-UHFFFAOYSA-N	0	0	170.143	1.625	50	5		ADBARN
COc1cc(F)cc(N)c1[N+](=O)[O-]	217945914	344408363	/nfs/dbraw/zinc/40/83/63/344408363.db2.gz	CDBVQSPCFPKING-UHFFFAOYSA-N	0	0	186.142	1.325	50	5		ADBARN
O=[N+]([O-])c1cnn([C@H]2CCCCO2)c1	224873267	344474011	/nfs/dbraw/zinc/47/40/11/344474011.db2.gz	YJVPCRYLRDYTCH-MRVPVSSYSA-N	0	0	197.194	1.490	50	5		ADBARN
O=[N+]([O-])c1cnn([C@@H]2CCCCO2)c1	224873230	344474067	/nfs/dbraw/zinc/47/40/67/344474067.db2.gz	YJVPCRYLRDYTCH-QMMMGPOBSA-N	0	0	197.194	1.490	50	5		ADBARN
CN(C)c1c(F)cccc1[N+](=O)[O-]	238791143	344822274	/nfs/dbraw/zinc/82/22/74/344822274.db2.gz	NUCZBKAYTQRBQB-UHFFFAOYSA-N	0	0	184.170	1.800	50	5		ADBARN
C[N@@+]([O-])(CCO)Cc1ccccc1	247951939	344827056	/nfs/dbraw/zinc/82/70/56/344827056.db2.gz	MJQPYETZBGKFSD-LLVKDONJSA-N	0	0	181.235	1.123	50	5		ADBARN
C[N@+]([O-])(CCO)Cc1ccccc1	247951941	344827137	/nfs/dbraw/zinc/82/71/37/344827137.db2.gz	MJQPYETZBGKFSD-NSHDSACASA-N	0	0	181.235	1.123	50	5		ADBARN
O=[N+]([O-])c1cc(CO)cc(F)c1F	257974803	344943668	/nfs/dbraw/zinc/94/36/68/344943668.db2.gz	DCQWLFLBPKQLCE-UHFFFAOYSA-N	0	0	189.117	1.365	50	5		ADBARN
CCCCn1nccc1[N+](=O)[O-]	261493628	344956277	/nfs/dbraw/zinc/95/62/77/344956277.db2.gz	GEBXQFAZHRJQCZ-UHFFFAOYSA-N	0	0	169.184	1.591	50	5		ADBARN
Cc1cc([N+](=O)[O-])cc(C=O)c1F	261493894	344956502	/nfs/dbraw/zinc/95/65/02/344956502.db2.gz	LNNWMBXTZOPMDG-UHFFFAOYSA-N	0	0	183.138	1.855	50	5		ADBARN
CC(C)c1[nH]cnc1[N+](=O)[O-]	263624996	344956951	/nfs/dbraw/zinc/95/69/51/344956951.db2.gz	VWNPXPWVFGVTKF-UHFFFAOYSA-N	0	0	155.157	1.441	50	5		ADBARN
C[C@@]1(O)CC=C(C[N+](=O)[O-])CC1	306685106	345546333	/nfs/dbraw/zinc/54/63/33/345546333.db2.gz	IPRZKPSZGFFWEI-MRVPVSSYSA-N	0	0	171.196	1.124	50	5		ADBARN
O=[N+]([O-])c1cnc(F)c(Cl)c1	306813260	345631219	/nfs/dbraw/zinc/63/12/19/345631219.db2.gz	AEOGTIHVOKJMOS-UHFFFAOYSA-N	0	0	176.534	1.782	50	5		ADBARN
O=[N+]([O-])c1cccnc1N1CCC1	306887457	345683665	/nfs/dbraw/zinc/68/36/65/345683665.db2.gz	UNRDPHNKZYOTQU-UHFFFAOYSA-N	0	0	179.179	1.200	50	5		ADBARN
C[C@]1(O)CC[C@H](C[N+](=O)[O-])CC1	306953043	345715967	/nfs/dbraw/zinc/71/59/67/345715967.db2.gz	FJUFYDSCYPYBPW-ZKCHVHJHSA-N	0	0	173.212	1.204	50	5		ADBARN
COc1c(C)cc([N+](=O)[O-])cc1N	307089357	345804248	/nfs/dbraw/zinc/80/42/48/345804248.db2.gz	OIYMYYVSZAGCEH-UHFFFAOYSA-N	0	0	182.179	1.494	50	5		ADBARN
Cc1cn2ccc([N+](=O)[O-])cc2n1	585122806	346753025	/nfs/dbraw/zinc/75/30/25/346753025.db2.gz	SFUHKEVHNMCRGU-UHFFFAOYSA-N	0	0	177.163	1.551	50	5		ADBARN
C[C@@H](O)c1ccccc1[N+](=O)[O-]	2044984	351303388	/nfs/dbraw/zinc/30/33/88/351303388.db2.gz	DSDBYQDNNWCLHL-ZCFIWIBFSA-N	0	0	167.164	1.648	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(CO)cc1	157462	351271557	/nfs/dbraw/zinc/27/15/57/351271557.db2.gz	JKTYGPATCNUWKN-UHFFFAOYSA-N	0	0	153.137	1.087	50	5	in-vitro,metabolite	ADBARN
O=[N+]([O-])c1ccc(-c2nnco2)cc1	50220	351268137	/nfs/dbraw/zinc/26/81/37/351268137.db2.gz	FBQDNDLFVIKPRJ-UHFFFAOYSA-N	0	0	191.146	1.645	50	5	in-vitro	ADBARN
c1ccc2c(c1)ncc1ncnnc12	2080	351268352	/nfs/dbraw/zinc/26/83/52/351268352.db2.gz	ARFYZKAYDRJATN-UHFFFAOYSA-N	0	0	182.186	1.573	50	5	in-man	ADBARN
O=[N+]([O-])c1ccc(C2OCCO2)cc1	39829	351268463	/nfs/dbraw/zinc/26/84/63/351268463.db2.gz	RIXYVXYKLYQCSM-UHFFFAOYSA-N	0	0	195.174	1.640	50	5	in-vitro	ADBARN
O=[N+]([O-])/C=C/c1cccs1	55258	351269180	/nfs/dbraw/zinc/26/91/80/351269180.db2.gz	UTPOWFFIBWOQRK-ONEGZZNKSA-N	0	0	155.178	1.996	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-n2ccnc2)cc1	77197	351269309	/nfs/dbraw/zinc/26/93/09/351269309.db2.gz	PUCOOPJLAXJKOO-UHFFFAOYSA-N	0	0	189.174	1.781	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2nc[nH]c12	85294	351269759	/nfs/dbraw/zinc/26/97/59/351269759.db2.gz	NEJMFSBXFBFELK-UHFFFAOYSA-N	0	0	163.136	1.471	50	5		ADBARN
O=[N+]([O-])/C=C/c1ccsc1	101093	351269763	/nfs/dbraw/zinc/26/97/63/351269763.db2.gz	BKLSHYMRBHFIAN-HNQUOIGGSA-N	0	0	155.178	1.996	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2nsnc2c1	71460	351269789	/nfs/dbraw/zinc/26/97/89/351269789.db2.gz	BXZPSERJJMAPSV-UHFFFAOYSA-N	0	0	181.176	1.600	50	5	in-vitro	ADBARN
O=Cc1ccc([N+](=O)[O-])o1	152275	351270264	/nfs/dbraw/zinc/27/02/64/351270264.db2.gz	SXINBFXPADXIEY-UHFFFAOYSA-N	0	0	141.082	1.000	50	5	in-vitro	ADBARN
O=Cc1cc2c(cc1[N+](=O)[O-])OCO2	119450	351270479	/nfs/dbraw/zinc/27/04/79/351270479.db2.gz	NRZWECORTTWSEF-UHFFFAOYSA-N	0	0	195.130	1.136	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(-c2ncon2)c1	150535	351270597	/nfs/dbraw/zinc/27/05/97/351270597.db2.gz	BXMPGUQFWQUYRY-UHFFFAOYSA-N	0	0	191.146	1.645	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccnc(Cl)c1	151260	351270626	/nfs/dbraw/zinc/27/06/26/351270626.db2.gz	LIEPVGBDUYKPLC-UHFFFAOYSA-N	0	0	158.544	1.643	50	5	in-vitro	ADBARN
O=c1ccc2cc([N+](=O)[O-])ccc2o1	134480	351270801	/nfs/dbraw/zinc/27/08/01/351270801.db2.gz	RMERXEXZXIVNBF-UHFFFAOYSA-N	0	0	191.142	1.701	50	5	biogenic,in-vitro	ADBARN
O=[N+]([O-])c1ccc(F)c(F)c1	152925	351270863	/nfs/dbraw/zinc/27/08/63/351270863.db2.gz	RUBQQRMAWLSCCJ-UHFFFAOYSA-N	0	0	159.091	1.873	50	5		ADBARN
CCOc1cccnc1[N+](=O)[O-]	157098	351271589	/nfs/dbraw/zinc/27/15/89/351271589.db2.gz	WBEVIQNYYGPESH-UHFFFAOYSA-N	0	0	168.152	1.389	50	5	in-vitro	ADBARN
O=Cc1ccc([N+](=O)[O-])s1	154896	351271605	/nfs/dbraw/zinc/27/16/05/351271605.db2.gz	CHTSWZNXEKOLPM-UHFFFAOYSA-N	0	0	157.150	1.469	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-c2cn[nH]c2)cc1	154181	351271660	/nfs/dbraw/zinc/27/16/60/351271660.db2.gz	VTNBVJYDTGBDJO-UHFFFAOYSA-N	0	0	189.174	1.985	50	5	in-vitro	ADBARN
CCOc1ccncc1[N+](=O)[O-]	156410	351271705	/nfs/dbraw/zinc/27/17/05/351271705.db2.gz	ABOSMHRLVUWEMT-UHFFFAOYSA-N	0	0	168.152	1.389	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccccc1CO	157463	351271737	/nfs/dbraw/zinc/27/17/37/351271737.db2.gz	BWRBVBFLFQKBPT-UHFFFAOYSA-N	0	0	153.137	1.087	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(OC[C@H]2CO2)cc1	162465	351272397	/nfs/dbraw/zinc/27/23/97/351272397.db2.gz	FPIGOBKNDYAZTP-VIFPVBQESA-N	0	0	195.174	1.372	50	5	in-vitro	ADBARN
O=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	163425	351272448	/nfs/dbraw/zinc/27/24/48/351272448.db2.gz	PHKYMSLVWLYDKP-UHFFFAOYSA-N	0	0	190.158	1.889	50	5	in-vitro	ADBARN
O=Cc1ccc([N+](=O)[O-])cc1	164513	351272620	/nfs/dbraw/zinc/27/26/20/351272620.db2.gz	BXRFQSNOROATLV-UHFFFAOYSA-N	0	0	151.121	1.407	50	5	in-vitro,metabolite	ADBARN
O=[N+]([O-])c1ccc(OC[C@@H]2CO2)cc1	162466	351272654	/nfs/dbraw/zinc/27/26/54/351272654.db2.gz	FPIGOBKNDYAZTP-SECBINFHSA-N	0	0	195.174	1.372	50	5	in-vitro	ADBARN
O=Cc1csc([N+](=O)[O-])c1	159715	351272662	/nfs/dbraw/zinc/27/26/62/351272662.db2.gz	JYVNBTUBCTXNBI-UHFFFAOYSA-N	0	0	157.150	1.469	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2ncoc2c1	168375	351273428	/nfs/dbraw/zinc/27/34/28/351273428.db2.gz	NNESGHWUVLNAML-UHFFFAOYSA-N	0	0	164.120	1.736	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnc2ccccn12	173367	351273516	/nfs/dbraw/zinc/27/35/16/351273516.db2.gz	WYDBFRQNRYIZSL-UHFFFAOYSA-N	0	0	163.136	1.243	50	5	in-vitro	ADBARN
O=Cc1ccc(F)c([N+](=O)[O-])c1	164955	351273691	/nfs/dbraw/zinc/27/36/91/351273691.db2.gz	ILKWFRCNNILIJW-UHFFFAOYSA-N	0	0	169.111	1.546	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2n[nH]cc12	169194	351273824	/nfs/dbraw/zinc/27/38/24/351273824.db2.gz	WBTVZVUYPVQEIF-UHFFFAOYSA-N	0	0	163.136	1.471	50	5	in-vitro	ADBARN
O=Cc1c[nH]c2cc([N+](=O)[O-])ccc12	257794	351274610	/nfs/dbraw/zinc/27/46/10/351274610.db2.gz	KYFZSGBVGJNEPN-UHFFFAOYSA-N	0	0	190.158	1.889	50	5	in-vitro	ADBARN
O=Cc1cc([N+](=O)[O-])cs1	334076	351275231	/nfs/dbraw/zinc/27/52/31/351275231.db2.gz	YVNHJYYUGAEESI-UHFFFAOYSA-N	0	0	157.150	1.469	50	5		ADBARN
O=[N+]([O-])c1cccc(-n2ccnc2)c1	332367	351275550	/nfs/dbraw/zinc/27/55/50/351275550.db2.gz	NUIYHMRBFZOEES-UHFFFAOYSA-N	0	0	189.174	1.781	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccccc1-c1ncc[nH]1	337649	351276042	/nfs/dbraw/zinc/27/60/42/351276042.db2.gz	NEJHPXADNMJLGB-UHFFFAOYSA-N	0	0	189.174	1.985	50	5		ADBARN
CCOc1ccc([N+](=O)[O-])cn1	335039	351276167	/nfs/dbraw/zinc/27/61/67/351276167.db2.gz	LYDVDLYMQVSLQD-UHFFFAOYSA-N	0	0	168.152	1.389	50	5	in-vitro	ADBARN
O=[N+]([O-])c1c[nH]ccc1=S	334953	351276186	/nfs/dbraw/zinc/27/61/86/351276186.db2.gz	WWDZCQQUTFWNQI-UHFFFAOYSA-N	0	0	156.166	1.279	50	5		ADBARN
O=Cc1cc(F)ccc1[N+](=O)[O-]	336266	351276218	/nfs/dbraw/zinc/27/62/18/351276218.db2.gz	KKAFVHUJZPVWND-UHFFFAOYSA-N	0	0	169.111	1.546	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(-c2ncc[nH]2)c1	337644	351276265	/nfs/dbraw/zinc/27/62/65/351276265.db2.gz	ZPWKGNWCVRBHJB-UHFFFAOYSA-N	0	0	189.174	1.985	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccccc1-n1ccnc1	337720	351276291	/nfs/dbraw/zinc/27/62/91/351276291.db2.gz	HESJLLCGKVDGIB-UHFFFAOYSA-N	0	0	189.174	1.781	50	5	in-vitro	ADBARN
O=c1[nH]c2cc([N+](=O)[O-])ccc2o1	376977	351277074	/nfs/dbraw/zinc/27/70/74/351277074.db2.gz	UTQPEXLRBRAERQ-UHFFFAOYSA-N	0	0	180.119	1.029	50	5		ADBARN
O=c1ccoc2ccc([N+](=O)[O-])cc12	381740	351277274	/nfs/dbraw/zinc/27/72/74/351277274.db2.gz	ORWADBVBOPTYQT-UHFFFAOYSA-N	0	0	191.142	1.701	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-n2cccn2)s1	480674	351281392	/nfs/dbraw/zinc/28/13/92/351281392.db2.gz	LYPULMJPUWIZMN-UHFFFAOYSA-N	0	0	195.203	1.842	50	5		ADBARN
O=[N+]([O-])c1ccc([C@H]2CO2)cc1	1020828	351283256	/nfs/dbraw/zinc/28/32/56/351283256.db2.gz	YKIUTLHCSNCTDZ-MRVPVSSYSA-N	0	0	165.148	1.666	50	5	in-vivo	ADBARN
O=c1[nH]c2cc([N+](=O)[O-])ccc2s1	974651	351283265	/nfs/dbraw/zinc/28/32/65/351283265.db2.gz	GLRHCXKQSXFQHY-UHFFFAOYSA-N	0	0	196.187	1.910	50	5		ADBARN
O=[N+]([O-])c1ccsc1	967491	351283462	/nfs/dbraw/zinc/28/34/62/351283462.db2.gz	SIPCFXFCVTUAID-UHFFFAOYSA-N	0	0	129.140	1.656	50	5		ADBARN
O=[N+]([O-])c1ccc(Cl)c2nonc12	1311094	351284374	/nfs/dbraw/zinc/28/43/74/351284374.db2.gz	IGHBXJSNZCFXNK-UHFFFAOYSA-N	0	0	199.553	1.784	50	5	in-vitro	ADBARN
CCOc1ccc(C=O)cc1[N+](=O)[O-]	1410778	351285082	/nfs/dbraw/zinc/28/50/82/351285082.db2.gz	RPJKVMCCDKVUJN-UHFFFAOYSA-N	0	0	195.174	1.806	50	5		ADBARN
O=[N+]([O-])c1ccc2ocnc2c1	1395451	351285423	/nfs/dbraw/zinc/28/54/23/351285423.db2.gz	MNEOLRFGVQZMLA-UHFFFAOYSA-N	0	0	164.120	1.736	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(F)c2cn[nH]c12	1404078	351285433	/nfs/dbraw/zinc/28/54/33/351285433.db2.gz	CVMZDSQFDHLYSI-UHFFFAOYSA-N	0	0	181.126	1.610	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2ocnc12	1395452	351285572	/nfs/dbraw/zinc/28/55/72/351285572.db2.gz	SLXGGFDKGANNSL-UHFFFAOYSA-N	0	0	164.120	1.736	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2nsnc12	1509875	351285965	/nfs/dbraw/zinc/28/59/65/351285965.db2.gz	IWQKAMJGVIHECB-UHFFFAOYSA-N	0	0	181.176	1.600	50	5	in-vivo	ADBARN
O=[N+]([O-])c1ccccc1-c1cn[nH]c1	1504802	351286003	/nfs/dbraw/zinc/28/60/03/351286003.db2.gz	YHKKJSANXASGJT-UHFFFAOYSA-N	0	0	189.174	1.985	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(CCO)cc1	1510307	351286262	/nfs/dbraw/zinc/28/62/62/351286262.db2.gz	IKMXRUOZUUKSON-UHFFFAOYSA-N	0	0	167.164	1.130	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc[n+]([O-])c2ccccc12	1529664	351286288	/nfs/dbraw/zinc/28/62/88/351286288.db2.gz	YHQDZJICGQWFHK-UHFFFAOYSA-N	0	0	190.158	1.381	50	5	in-vitro	ADBARN
O=c1[nH]c2c(cc1[N+](=O)[O-])CCCC2	1506979	351286455	/nfs/dbraw/zinc/28/64/55/351286455.db2.gz	WDLQZGPOKQZCII-UHFFFAOYSA-N	0	0	194.190	1.162	50	5		ADBARN
O=[N+]([O-])c1cccc(O)c1	1576887	351288308	/nfs/dbraw/zinc/28/83/08/351288308.db2.gz	RTZZCYNQPHTPPL-UHFFFAOYSA-N	0	0	139.110	1.300	50	5	in-vitro	ADBARN
CC(C)=C[N+](=O)[O-]	1575618	351288258	/nfs/dbraw/zinc/28/82/58/351288258.db2.gz	VXMMUDFDTWWSQT-UHFFFAOYSA-N	0	0	101.105	1.187	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnc(Cl)nc1	1607263	351289979	/nfs/dbraw/zinc/28/99/79/351289979.db2.gz	OFCBNMYNAHUDGE-UHFFFAOYSA-N	0	0	159.532	1.038	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc[nH]c1=S	1648600	351291441	/nfs/dbraw/zinc/29/14/41/351291441.db2.gz	LKNPLDRVWHXGKZ-UHFFFAOYSA-N	0	0	156.166	1.652	50	5		ADBARN
CC(C)(Cl)[N+](=O)[O-]	1666915	351292207	/nfs/dbraw/zinc/29/22/07/351292207.db2.gz	JQYFSFNSNVRUPY-UHFFFAOYSA-N	0	0	123.539	1.238	50	5		ADBARN
O=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1669669	351292259	/nfs/dbraw/zinc/29/22/59/351292259.db2.gz	ZILXIZUBLXVYPI-UHFFFAOYSA-N	0	0	196.118	1.316	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1	1665741	351292396	/nfs/dbraw/zinc/29/23/96/351292396.db2.gz	LOTKRQAVGJMPNV-UHFFFAOYSA-N	0	0	186.098	1.642	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(Br)o1	1664806	351292493	/nfs/dbraw/zinc/29/24/93/351292493.db2.gz	QGTDMAKRJHGXOF-UHFFFAOYSA-N	0	0	191.968	1.950	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc([N+](=O)[O-])c1	1683353	351293940	/nfs/dbraw/zinc/29/39/40/351293940.db2.gz	WDCYWAQPCXBPJA-UHFFFAOYSA-N	0	0	168.108	1.503	50	5	in-vivo	ADBARN
O=[N+]([O-])c1cccs1	1680876	351294245	/nfs/dbraw/zinc/29/42/45/351294245.db2.gz	JIZRGGUCOQKGQD-UHFFFAOYSA-N	0	0	129.140	1.656	50	5	in-vitro	ADBARN
CCOc1cccc([N+](=O)[O-])c1	1686927	351294252	/nfs/dbraw/zinc/29/42/52/351294252.db2.gz	LFOLBPDHVGDKGJ-UHFFFAOYSA-N	0	0	167.164	1.994	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccccc1F	1682934	351294293	/nfs/dbraw/zinc/29/42/93/351294293.db2.gz	PWKNBLFSJAVFAB-UHFFFAOYSA-N	0	0	141.101	1.734	50	5	in-vitro	ADBARN
CCOc1ccc([N+](=O)[O-])cc1	1700199	351295968	/nfs/dbraw/zinc/29/59/68/351295968.db2.gz	NWPKEYHUZKMWKJ-UHFFFAOYSA-N	0	0	167.164	1.994	50	5		ADBARN
O=[N+]([O-])c1ccc(-n2nccn2)cc1	1715827	351296794	/nfs/dbraw/zinc/29/67/94/351296794.db2.gz	DAIISCIHCDYWAF-UHFFFAOYSA-N	0	0	190.162	1.176	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(F)cc1	1706157	351296999	/nfs/dbraw/zinc/29/69/99/351296999.db2.gz	WFQDTOYDVUWQMS-UHFFFAOYSA-N	0	0	141.101	1.734	50	5		ADBARN
O=[N+]([O-])c1cccc2nccnc12	1717144	351297710	/nfs/dbraw/zinc/29/77/10/351297710.db2.gz	WZBOWHSZOCPDMB-UHFFFAOYSA-N	0	0	175.147	1.538	50	5		ADBARN
C[C@@H]([C@@H](O)c1ccccc1)[N+](=O)[O-]	1733935	351298801	/nfs/dbraw/zinc/29/88/01/351298801.db2.gz	JGYVPZIKTZGAAD-IONNQARKSA-N	0	0	181.191	1.385	50	5		ADBARN
C[C@@H]([C@H](O)c1ccccc1)[N+](=O)[O-]	1733933	351298597	/nfs/dbraw/zinc/29/85/97/351298597.db2.gz	JGYVPZIKTZGAAD-CBAPKCEASA-N	0	0	181.191	1.385	50	5		ADBARN
O=[N+]([O-])c1ccc(=S)[nH]c1	1751778	351298852	/nfs/dbraw/zinc/29/88/52/351298852.db2.gz	BHQUBONFIYNJDA-UHFFFAOYSA-N	0	0	156.166	1.652	50	5	in-vitro	ADBARN
CC[C@@H](C)[N+](=O)[O-]	1758976	351299298	/nfs/dbraw/zinc/29/92/98/351299298.db2.gz	SUGZATOHBPXTDV-SCSAIBSYSA-N	0	0	103.121	1.062	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2nonc12	1764267	351299345	/nfs/dbraw/zinc/29/93/45/351299345.db2.gz	ZCVAGTPWBAZXAL-UHFFFAOYSA-N	0	0	165.108	1.131	50	5		ADBARN
CC(C)([C@H](O)c1ccccc1)[N+](=O)[O-]	1759047	351299363	/nfs/dbraw/zinc/29/93/63/351299363.db2.gz	HZYOZOFLFAXDFR-SECBINFHSA-N	0	0	195.218	1.775	50	5		ADBARN
O=[N+]([O-])c1ccccc1C1OCCO1	1868282	351299863	/nfs/dbraw/zinc/29/98/63/351299863.db2.gz	CEANTQDUGKFCET-UHFFFAOYSA-N	0	0	195.174	1.640	50	5		ADBARN
CC(C)CC[N+](=O)[O-]	1845911	351300366	/nfs/dbraw/zinc/30/03/66/351300366.db2.gz	FEJLPMVSVDSKHJ-UHFFFAOYSA-N	0	0	117.148	1.309	50	5		ADBARN
O=Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	1845989	351300369	/nfs/dbraw/zinc/30/03/69/351300369.db2.gz	WHFZQNNDIJKLIO-UHFFFAOYSA-N	0	0	196.118	1.316	50	5		ADBARN
O=[N+]([O-])c1ccc(/C=C/CO)cc1	2003944	351301396	/nfs/dbraw/zinc/30/13/96/351301396.db2.gz	LGXXEDSIJZHDBN-OWOJBTEDSA-N	0	0	179.175	1.600	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnc(Cl)nc1Cl	2023569	351302574	/nfs/dbraw/zinc/30/25/74/351302574.db2.gz	INUSQTPGSHFGHM-UHFFFAOYSA-N	0	0	193.977	1.692	50	5	in-vitro	ADBARN
CC(C)([C@@H](O)c1ccccc1)[N+](=O)[O-]	2042089	351303125	/nfs/dbraw/zinc/30/31/25/351303125.db2.gz	HZYOZOFLFAXDFR-VIFPVBQESA-N	0	0	195.218	1.775	50	5		ADBARN
O=[N+]([O-])c1cnsc1	2040162	351303278	/nfs/dbraw/zinc/30/32/78/351303278.db2.gz	FNXPAYVHLSTHQY-UHFFFAOYSA-N	0	0	130.128	1.051	50	5		ADBARN
O=[N+]([O-])c1ccc(F)c2nonc12	2166976	351303830	/nfs/dbraw/zinc/30/38/30/351303830.db2.gz	PGZIDERTDJHJFY-UHFFFAOYSA-N	0	0	183.098	1.270	50	5	in-vitro	ADBARN
C[C@@H](O)c1cccc([N+](=O)[O-])c1	2169377	351304336	/nfs/dbraw/zinc/30/43/36/351304336.db2.gz	FRPQAVXDUWMFCK-ZCFIWIBFSA-N	0	0	167.164	1.648	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(Cl)c1CO	2160272	351304430	/nfs/dbraw/zinc/30/44/30/351304430.db2.gz	NXNWDPRVHZOPBJ-UHFFFAOYSA-N	0	0	187.582	1.741	50	5	in-vitro	ADBARN
O=[N+]([O-])C=C1CCCCCN1	2226526	351305303	/nfs/dbraw/zinc/30/53/03/351305303.db2.gz	VVTVZDUKYJWIDH-SREVYHEPSA-N	0	0	156.185	1.268	50	5		ADBARN
CCOc1ccc(N)cc1[N+](=O)[O-]	2243613	351305418	/nfs/dbraw/zinc/30/54/18/351305418.db2.gz	LHQGCNLLLDKOOO-UHFFFAOYSA-N	0	0	182.179	1.576	50	5		ADBARN
O=[N+]([O-])c1ccc(CO)cc1F	2243159	351305556	/nfs/dbraw/zinc/30/55/56/351305556.db2.gz	FEMLPDPJKINFGA-UHFFFAOYSA-N	0	0	171.127	1.226	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccnc1F	2383998	351306219	/nfs/dbraw/zinc/30/62/19/351306219.db2.gz	QDKIYDGHCFZBGC-UHFFFAOYSA-N	0	0	142.089	1.129	50	5	in-vitro	ADBARN
O=c1[nH]c2cccc([N+](=O)[O-])c2[nH]1	2519672	351308407	/nfs/dbraw/zinc/30/84/07/351308407.db2.gz	NEXYNHXFBYYIHI-UHFFFAOYSA-N	0	0	179.135	1.177	50	5		ADBARN
O=[N+]([O-])c1ccnc(F)c1	2526706	351308991	/nfs/dbraw/zinc/30/89/91/351308991.db2.gz	BOGKTBKWDIUAGK-UHFFFAOYSA-N	0	0	142.089	1.129	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1F	2525819	351309152	/nfs/dbraw/zinc/30/91/52/351309152.db2.gz	IQKSCEDCDQGAAO-UHFFFAOYSA-N	0	0	192.533	1.021	50	5		ADBARN
O=[N+]([O-])c1ccncc1F	2526725	351309407	/nfs/dbraw/zinc/30/94/07/351309407.db2.gz	DIFITFKCBAVEAX-UHFFFAOYSA-N	0	0	142.089	1.129	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnn(CC(F)(F)F)c1	2534799	351309989	/nfs/dbraw/zinc/30/99/89/351309989.db2.gz	BSAZQIZFWLLKBU-UHFFFAOYSA-N	0	0	195.100	1.354	50	5	in-vitro	ADBARN
O=Cc1c[nH]c2cccc([N+](=O)[O-])c12	2541456	351310039	/nfs/dbraw/zinc/31/00/39/351310039.db2.gz	CGXVTWQTGQAMMX-UHFFFAOYSA-N	0	0	190.158	1.889	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccn(C(F)F)n1	2534798	351310016	/nfs/dbraw/zinc/31/00/16/351310016.db2.gz	OIAZJYJFYCOXQL-UHFFFAOYSA-N	0	0	163.083	1.186	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnn(C(F)F)c1	2534800	351310138	/nfs/dbraw/zinc/31/01/38/351310138.db2.gz	VCURCUIEDUUUEA-UHFFFAOYSA-N	0	0	163.083	1.186	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(CCO)c1	2539362	351310344	/nfs/dbraw/zinc/31/03/44/351310344.db2.gz	PWZWTSYUZQZFKE-UHFFFAOYSA-N	0	0	167.164	1.130	50	5		ADBARN
O=[N+]([O-])c1cccc2[nH]cc(CO)c12	2541457	351310464	/nfs/dbraw/zinc/31/04/64/351310464.db2.gz	GIZXLVHVDBXUPQ-UHFFFAOYSA-N	0	0	192.174	1.568	50	5		ADBARN
O=[N+]([O-])c1ccc(Cl)nc1	2564034	351311936	/nfs/dbraw/zinc/31/19/36/351311936.db2.gz	BAZVFQBTJPBRTJ-UHFFFAOYSA-N	0	0	158.544	1.643	50	5		ADBARN
O=[N+]([O-])c1cccc(F)c1F	2565580	351312377	/nfs/dbraw/zinc/31/23/77/351312377.db2.gz	IXIJRPBFPLESEI-UHFFFAOYSA-N	0	0	159.091	1.873	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(Cl)cc1CO	2567957	351312402	/nfs/dbraw/zinc/31/24/02/351312402.db2.gz	ULYZTHQGJXPEFT-UHFFFAOYSA-N	0	0	187.582	1.741	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccncc1Cl	2566376	351312424	/nfs/dbraw/zinc/31/24/24/351312424.db2.gz	CWLVEHGKYCYAIO-UHFFFAOYSA-N	0	0	158.544	1.643	50	5	in-vitro	ADBARN
O=Cc1c[nH]c2c([N+](=O)[O-])cccc12	2572407	351313198	/nfs/dbraw/zinc/31/31/98/351313198.db2.gz	ADGKBVRTGVODMM-UHFFFAOYSA-N	0	0	190.158	1.889	50	5	in-vitro	ADBARN
C[C@@H](O)c1ccc([N+](=O)[O-])cc1	2571406	351313362	/nfs/dbraw/zinc/31/33/62/351313362.db2.gz	CRJFHXYELTYDSG-ZCFIWIBFSA-N	0	0	167.164	1.648	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnccc1Cl	2583405	351314226	/nfs/dbraw/zinc/31/42/26/351314226.db2.gz	JOTRPRKONYTVBV-UHFFFAOYSA-N	0	0	158.544	1.643	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cncc(Cl)c1	2599046	351314243	/nfs/dbraw/zinc/31/42/43/351314243.db2.gz	MUTXEQVAHJCPSL-UHFFFAOYSA-N	0	0	158.544	1.643	50	5	in-vitro	ADBARN
O=Cc1cc([N+](=O)[O-])ccc1F	2584302	351314277	/nfs/dbraw/zinc/31/42/77/351314277.db2.gz	VVXFDFQEIRGULC-UHFFFAOYSA-N	0	0	169.111	1.546	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(Cl)n1	2599037	351314657	/nfs/dbraw/zinc/31/46/57/351314657.db2.gz	YRSNXUYQRUULNJ-UHFFFAOYSA-N	0	0	158.544	1.643	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(F)c(CO)c1	2583603	351314723	/nfs/dbraw/zinc/31/47/23/351314723.db2.gz	IFIOUOYJVOSTFH-UHFFFAOYSA-N	0	0	171.127	1.226	50	5	in-vitro	ADBARN
CCOc1ccc([N+](=O)[O-])cc1C=O	2756600	351315124	/nfs/dbraw/zinc/31/51/24/351315124.db2.gz	FIRASLIMSQEZFO-UHFFFAOYSA-N	0	0	195.174	1.806	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(OC[C@@H]2CO2)c1	3130556	351316747	/nfs/dbraw/zinc/31/67/47/351316747.db2.gz	CNJLXLVVZBTEOC-SECBINFHSA-N	0	0	195.174	1.372	50	5	in-vitro	ADBARN
CC(C)(O)c1ccc([N+](=O)[O-])cc1	3165701	351317163	/nfs/dbraw/zinc/31/71/63/351317163.db2.gz	BCERWYLBCDENFU-UHFFFAOYSA-N	0	0	181.191	1.822	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccccc1-n1cccn1	3852544	351321597	/nfs/dbraw/zinc/32/15/97/351321597.db2.gz	OHPLOJFVHRTRPF-UHFFFAOYSA-N	0	0	189.174	1.781	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccnc1-n1cccn1	3852472	351321644	/nfs/dbraw/zinc/32/16/44/351321644.db2.gz	MXOSEIYUMLCCTN-UHFFFAOYSA-N	0	0	190.162	1.176	50	5		ADBARN
O=[N+]([O-])c1ccc([N+](=O)[O-])cc1	3875684	351322753	/nfs/dbraw/zinc/32/27/53/351322753.db2.gz	FYFDQJRXFWGIBS-UHFFFAOYSA-N	0	0	168.108	1.503	50	5	in-vitro	ADBARN
CCOc1ccc(N)c([N+](=O)[O-])c1	3878823	351322792	/nfs/dbraw/zinc/32/27/92/351322792.db2.gz	ISFYBUAVOZFROB-UHFFFAOYSA-N	0	0	182.179	1.576	50	5		ADBARN
CCOc1cccc(N)c1[N+](=O)[O-]	4115583	351324962	/nfs/dbraw/zinc/32/49/62/351324962.db2.gz	PUMNQZNLEXKCII-UHFFFAOYSA-N	0	0	182.179	1.576	50	5		ADBARN
CCOc1ccc([N+](=O)[O-])c(N)c1	4115585	351325163	/nfs/dbraw/zinc/32/51/63/351325163.db2.gz	NWTQJQSOCJKTDD-UHFFFAOYSA-N	0	0	182.179	1.576	50	5		ADBARN
O=[N+]([O-])c1ccccc1[N+](=O)[O-]	4261808	351326916	/nfs/dbraw/zinc/32/69/16/351326916.db2.gz	IZUKQUVSCNEFMJ-UHFFFAOYSA-N	0	0	168.108	1.503	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-n2cccn2)cc1	4253771	351326968	/nfs/dbraw/zinc/32/69/68/351326968.db2.gz	PNWPAZGIVRZAER-UHFFFAOYSA-N	0	0	189.174	1.781	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(F)cc1[N+](=O)[O-]	4255671	351327015	/nfs/dbraw/zinc/32/70/15/351327015.db2.gz	IRIUWJQQUVBRLV-UHFFFAOYSA-N	0	0	186.098	1.642	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(NCCCO)cc1	4358704	351328944	/nfs/dbraw/zinc/32/89/44/351328944.db2.gz	WVKYZNIVNCTAQE-UHFFFAOYSA-N	0	0	196.206	1.389	50	5		ADBARN
O=[N+]([O-])c1ccccc1OC[C@H]1CO1	4403221	351329046	/nfs/dbraw/zinc/32/90/46/351329046.db2.gz	SMKKEOQDQNCTGL-SSDOTTSWSA-N	0	0	195.174	1.372	50	5		ADBARN
O=[N+]([O-])c1ccc(C2=NCN=N2)cc1	4558199	351330623	/nfs/dbraw/zinc/33/06/23/351330623.db2.gz	YEXWYCSCFURWKB-UHFFFAOYSA-N	0	0	190.162	1.765	50	5		ADBARN
O=[N+]([O-])/C=C\c1ccncc1	4575131	351331243	/nfs/dbraw/zinc/33/12/43/351331243.db2.gz	MUHDOWRKJXJUNC-UTCJRWHESA-N	0	0	150.137	1.329	50	5		ADBARN
O=[N+]([O-])/C=C\c1cccc(O)c1	4829015	351334297	/nfs/dbraw/zinc/33/42/97/351334297.db2.gz	DHTXBJQMDPODIB-PLNGDYQASA-N	0	0	165.148	1.640	50	5		ADBARN
O=[N+]([O-])/C=C\c1ccccc1O	5063983	351337796	/nfs/dbraw/zinc/33/77/96/351337796.db2.gz	PMDYAIGGZBRBFX-WAYWQWQTSA-N	0	0	165.148	1.640	50	5		ADBARN
CCOc1cc([N+](=O)[O-])ccc1N	5196860	351340337	/nfs/dbraw/zinc/34/03/37/351340337.db2.gz	OWRHDQKCCXTFFE-UHFFFAOYSA-N	0	0	182.179	1.576	50	5		ADBARN
O=[N+]([O-])c1cn(C(F)F)cn1	5268974	351341328	/nfs/dbraw/zinc/34/13/28/351341328.db2.gz	UHUTZHJTDLBYBI-UHFFFAOYSA-N	0	0	163.083	1.186	50	5		ADBARN
O=Cc1ccc([N+](=O)[O-])cc1F	5427607	351343374	/nfs/dbraw/zinc/34/33/74/351343374.db2.gz	ZFCMKFOFVGHQNE-UHFFFAOYSA-N	0	0	169.111	1.546	50	5	in-vitro	ADBARN
O=Cc1ccc([N+](=O)[O-])c(F)c1	5427020	351343390	/nfs/dbraw/zinc/34/33/90/351343390.db2.gz	BWUIGISQVCIQBT-UHFFFAOYSA-N	0	0	169.111	1.546	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-c2c[nH]cn2)cc1	5819025	351347463	/nfs/dbraw/zinc/34/74/63/351347463.db2.gz	FNLBIRUBMLUNQC-UHFFFAOYSA-N	0	0	189.174	1.985	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc([C@@H]2O[C@H]2CO)cc1	6093302	351349876	/nfs/dbraw/zinc/34/98/76/351349876.db2.gz	TVWSYFXHQPGITR-IUCAKERBSA-N	0	0	195.174	1.027	50	5		ADBARN
O=[N+]([O-])c1ccc([C@H]2O[C@@H]2CO)cc1	6093233	351349931	/nfs/dbraw/zinc/34/99/31/351349931.db2.gz	TVWSYFXHQPGITR-RKDXNWHRSA-N	0	0	195.174	1.027	50	5		ADBARN
O=[N+]([O-])c1ccc2nnsc2c1	6094229	351350089	/nfs/dbraw/zinc/35/00/89/351350089.db2.gz	UKEXDPWRCYZDHX-UHFFFAOYSA-N	0	0	181.176	1.600	50	5		ADBARN
O=[N+]([O-])c1ccc2oncc2c1	6094227	351350294	/nfs/dbraw/zinc/35/02/94/351350294.db2.gz	TWOYWCWKYDYTIP-UHFFFAOYSA-N	0	0	164.120	1.736	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(CO)c(Cl)c1	6092158	351350453	/nfs/dbraw/zinc/35/04/53/351350453.db2.gz	XHIXVZHYFBOAJT-UHFFFAOYSA-N	0	0	187.582	1.741	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2cn[nH]c12	6473422	351351159	/nfs/dbraw/zinc/35/11/59/351351159.db2.gz	PQCAUHUKTBHUSA-UHFFFAOYSA-N	0	0	163.136	1.471	50	5	investigational	ADBARN
O=[N+]([O-])/C=C\c1ccc(O)cc1	8617556	351355978	/nfs/dbraw/zinc/35/59/78/351355978.db2.gz	CTJKRKMPTRJAIT-WAYWQWQTSA-N	0	0	165.148	1.640	50	5		ADBARN
O=c1ccc2cccc([N+](=O)[O-])c2[nH]1	8652260	351356162	/nfs/dbraw/zinc/35/61/62/351356162.db2.gz	LPIFZNBFLQNYIA-UHFFFAOYSA-N	0	0	190.158	1.436	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2c1CCN2	8699781	351357240	/nfs/dbraw/zinc/35/72/40/351357240.db2.gz	VTQFDUKXUFJCAO-UHFFFAOYSA-N	0	0	164.164	1.563	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-c2cc[nH]n2)o1	8684248	351357261	/nfs/dbraw/zinc/35/72/61/351357261.db2.gz	DICJXPWWJZEDCX-UHFFFAOYSA-N	0	0	179.135	1.578	50	5		ADBARN
O=[N+]([O-])c1cccc2c1CCCN2	8699725	351357506	/nfs/dbraw/zinc/35/75/06/351357506.db2.gz	SLKNPFUKDWYVGF-UHFFFAOYSA-N	0	0	178.191	1.953	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccccc1/C=C/CO	8727809	351358472	/nfs/dbraw/zinc/35/84/72/351358472.db2.gz	JQDUHQARXQIRHF-HWKANZROSA-N	0	0	179.175	1.600	50	5		ADBARN
O=[N+]([O-])c1cccn2ccnc12	8730184	351358660	/nfs/dbraw/zinc/35/86/60/351358660.db2.gz	FXGFBWQPMINBNG-UHFFFAOYSA-N	0	0	163.136	1.243	50	5		ADBARN
O=[N+]([O-])c1ccc2nonc2c1Cl	8733301	351358806	/nfs/dbraw/zinc/35/88/06/351358806.db2.gz	UFKISXXUBSZJCC-UHFFFAOYSA-N	0	0	199.553	1.784	50	5		ADBARN
CC(C)(c1ccncc1)[N+](=O)[O-]	11535880	351360022	/nfs/dbraw/zinc/36/00/22/351360022.db2.gz	JWGIWURNZVFPIW-UHFFFAOYSA-N	0	0	166.180	1.593	50	5		ADBARN
O=c1[nH]c2ccccc2cc1[N+](=O)[O-]	11804033	351360785	/nfs/dbraw/zinc/36/07/85/351360785.db2.gz	MZVAAWXYMDEDLD-UHFFFAOYSA-N	0	0	190.158	1.436	50	5	in-vitro	ADBARN
CC[C@@H](C)n1ccc([N+](=O)[O-])n1	12395604	351364012	/nfs/dbraw/zinc/36/40/12/351364012.db2.gz	XZAWWVYDCUUBME-ZCFIWIBFSA-N	0	0	169.184	1.762	50	5		ADBARN
O=[N+]([O-])c1cnn(CC(F)F)c1	12395040	351364354	/nfs/dbraw/zinc/36/43/54/351364354.db2.gz	QMQIIEPTRYGDHE-UHFFFAOYSA-N	0	0	177.110	1.056	50	5		ADBARN
O=[N+]([O-])c1ccc(-c2nc[nH]n2)cc1	12480739	351365173	/nfs/dbraw/zinc/36/51/73/351365173.db2.gz	OIGIZPCMVZXYQC-UHFFFAOYSA-N	0	0	190.162	1.380	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-n2cccn2)nc1	12398529	351365082	/nfs/dbraw/zinc/36/50/82/351365082.db2.gz	MPAGFUQMIGVVKE-UHFFFAOYSA-N	0	0	190.162	1.176	50	5		ADBARN
O=[N+]([O-])c1ccn(CC(F)F)n1	12396463	351365100	/nfs/dbraw/zinc/36/51/00/351365100.db2.gz	QDAXGXKHQSRONN-UHFFFAOYSA-N	0	0	177.110	1.056	50	5		ADBARN
O=[N+]([O-])c1cncs1	12471766	351365259	/nfs/dbraw/zinc/36/52/59/351365259.db2.gz	VVVCJCRUFSIVHI-UHFFFAOYSA-N	0	0	130.128	1.051	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(-c2nc[nH]n2)c1	12480747	351365446	/nfs/dbraw/zinc/36/54/46/351365446.db2.gz	STXJRVLVLGGYPJ-UHFFFAOYSA-N	0	0	190.162	1.380	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccn(CC2CC2)n1	12396654	351365780	/nfs/dbraw/zinc/36/57/80/351365780.db2.gz	ATVMIAJOJCXJFJ-UHFFFAOYSA-N	0	0	167.168	1.201	50	5		ADBARN
O=c1ccc([N+](=O)[O-])c2[nH]cccc1-2	13140389	351367325	/nfs/dbraw/zinc/36/73/25/351367325.db2.gz	GBFQOBPPJULZSN-UHFFFAOYSA-N	0	0	190.158	1.849	50	5		ADBARN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1	12956121	351367354	/nfs/dbraw/zinc/36/73/54/351367354.db2.gz	JVOZJSSFSXFDAU-ZCFIWIBFSA-N	0	0	178.191	1.951	50	5	in-vitro	ADBARN
O=c1[nH]ccc2c([N+](=O)[O-])cccc12	13597570	351371008	/nfs/dbraw/zinc/37/10/08/351371008.db2.gz	GMDPUTAUKHHDCI-UHFFFAOYSA-N	0	0	190.158	1.436	50	5	in-vitro	ADBARN
O=[N+]([O-])c1c[nH]c(=S)c(Cl)c1	14982410	351375590	/nfs/dbraw/zinc/37/55/90/351375590.db2.gz	MJUVUYBYAXQFKE-UHFFFAOYSA-N	0	0	190.611	1.932	50	5		ADBARN
O=c1[nH][nH]c2cc([N+](=O)[O-])ccc12	14983612	351376451	/nfs/dbraw/zinc/37/64/51/351376451.db2.gz	BNLMXABHKLAIAG-UHFFFAOYSA-N	0	0	179.135	1.177	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnc2[nH]ccc2c1	14984920	351376522	/nfs/dbraw/zinc/37/65/22/351376522.db2.gz	INMIPMLIYKQQID-UHFFFAOYSA-N	0	0	163.136	1.471	50	5		ADBARN
O=Cc1[nH]nc2cc([N+](=O)[O-])ccc12	14984575	351377232	/nfs/dbraw/zinc/37/72/32/351377232.db2.gz	UYPSMSUYMARCRX-UHFFFAOYSA-N	0	0	191.146	1.284	50	5	in-vitro	ADBARN
O=c1ccc2c([N+](=O)[O-])cccc2[nH]1	16991501	351381695	/nfs/dbraw/zinc/38/16/95/351381695.db2.gz	NRZABPOFVNBWMI-UHFFFAOYSA-N	0	0	190.158	1.436	50	5	in-vitro	ADBARN
O=c1cc[nH]c2cc([N+](=O)[O-])ccc12	17289857	351382920	/nfs/dbraw/zinc/38/29/20/351382920.db2.gz	MLPKSYLYDHCVOI-UHFFFAOYSA-N	0	0	190.158	1.436	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(-c2cc[nH]n2)c1	18217767	351384748	/nfs/dbraw/zinc/38/47/48/351384748.db2.gz	RUWXJVIBNZSEQD-UHFFFAOYSA-N	0	0	189.174	1.985	50	5	in-vitro	ADBARN
O=c1[nH]c2ccc([N+](=O)[O-])cc2o1	18190681	351385627	/nfs/dbraw/zinc/38/56/27/351385627.db2.gz	JGYJZHYTADCWIK-UHFFFAOYSA-N	0	0	180.119	1.029	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(F)cn1	18811216	351386823	/nfs/dbraw/zinc/38/68/23/351386823.db2.gz	CGFYNRVHPARGFY-UHFFFAOYSA-N	0	0	142.089	1.129	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnn(-c2ccccn2)c1	20004294	351399039	/nfs/dbraw/zinc/39/90/39/351399039.db2.gz	ARAOPVBQHBNFMY-UHFFFAOYSA-N	0	0	190.162	1.176	50	5		ADBARN
O=[N+]([O-])c1ccc(NC2CC2)nc1	20020153	351399082	/nfs/dbraw/zinc/39/90/82/351399082.db2.gz	MVTPBGCAEZTYHI-UHFFFAOYSA-N	0	0	179.179	1.564	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccnc1NC1CC1	20135254	351401225	/nfs/dbraw/zinc/40/12/25/351401225.db2.gz	MPSNZVZFQHGGDP-UHFFFAOYSA-N	0	0	179.179	1.564	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccnc1N1CCCC1	20246993	351403288	/nfs/dbraw/zinc/40/32/88/351403288.db2.gz	SMRXLVBZPIVHDZ-UHFFFAOYSA-N	0	0	193.206	1.590	50	5		ADBARN
O=[N+]([O-])c1cnccc1NC1CC1	20370178	351404351	/nfs/dbraw/zinc/40/43/51/351404351.db2.gz	OXWIUZUWZJVMSR-UHFFFAOYSA-N	0	0	179.179	1.564	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccnc1NCC1CC1	21786490	351409242	/nfs/dbraw/zinc/40/92/42/351409242.db2.gz	LWBIGSQVTBKNDQ-UHFFFAOYSA-N	0	0	193.206	1.812	50	5		ADBARN
O=c1ccc2ccc([N+](=O)[O-])cc2o1	22064613	351410764	/nfs/dbraw/zinc/41/07/64/351410764.db2.gz	XSECDQPYFOEVPU-UHFFFAOYSA-N	0	0	191.142	1.701	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cn(-c2ccccc2)cn1	22001035	351410928	/nfs/dbraw/zinc/41/09/28/351410928.db2.gz	UEGSGHUETRZQDI-UHFFFAOYSA-N	0	0	189.174	1.781	50	5		ADBARN
O=c1[nH]c2cccc([N+](=O)[O-])c2o1	22005974	351411317	/nfs/dbraw/zinc/41/13/17/351411317.db2.gz	SKYBXCYGTUEWBK-UHFFFAOYSA-N	0	0	180.119	1.442	50	5		ADBARN
O=[N+]([O-])c1cnc2ccc(Cl)nn12	22115869	351412798	/nfs/dbraw/zinc/41/27/98/351412798.db2.gz	IJEZMDPWGDWYKJ-UHFFFAOYSA-N	0	0	198.569	1.291	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-n2ccnc2)nc1	22637894	351414423	/nfs/dbraw/zinc/41/44/23/351414423.db2.gz	KHKBELKMRGNELL-UHFFFAOYSA-N	0	0	190.162	1.176	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2c1NCC2	26894116	351420762	/nfs/dbraw/zinc/42/07/62/351420762.db2.gz	MSVCQAUKLQEIJJ-UHFFFAOYSA-N	0	0	164.164	1.563	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(F)nc1F	31176462	351423538	/nfs/dbraw/zinc/42/35/38/351423538.db2.gz	GFDZKTFHLUFNPC-UHFFFAOYSA-N	0	0	160.079	1.268	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2c1NCCC2	32007075	351424383	/nfs/dbraw/zinc/42/43/83/351424383.db2.gz	SKMXDVKIYCUVMM-UHFFFAOYSA-N	0	0	178.191	1.953	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnc(Cl)s1	32500065	351428544	/nfs/dbraw/zinc/42/85/44/351428544.db2.gz	USOMXSLAPRWFCV-UHFFFAOYSA-N	0	0	164.573	1.705	50	5	in-vitro	ADBARN
O=Cc1cc([N+](=O)[O-])c(F)cc1F	32627927	351428971	/nfs/dbraw/zinc/42/89/71/351428971.db2.gz	MMFFDMRGDWUXDH-UHFFFAOYSA-N	0	0	187.101	1.686	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(CO)cc1Cl	34165573	351435843	/nfs/dbraw/zinc/43/58/43/351435843.db2.gz	ZJVGZPXKLAORCY-UHFFFAOYSA-N	0	0	187.582	1.741	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(-n2cncn2)c1	34412145	351439817	/nfs/dbraw/zinc/43/98/17/351439817.db2.gz	HYTFMMVEHXWFEK-UHFFFAOYSA-N	0	0	190.162	1.176	50	5		ADBARN
O=[N+]([O-])c1ccccc1-n1cncn1	34412144	351440070	/nfs/dbraw/zinc/44/00/70/351440070.db2.gz	VRTXNVSANZBXNW-UHFFFAOYSA-N	0	0	190.162	1.176	50	5		ADBARN
O=c1[nH]c2cc(F)c([N+](=O)[O-])cc2o1	34408563	351440078	/nfs/dbraw/zinc/44/00/78/351440078.db2.gz	OYLSATYIXHNQKT-UHFFFAOYSA-N	0	0	198.109	1.581	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(OCCF)cc1	34450126	351440859	/nfs/dbraw/zinc/44/08/59/351440859.db2.gz	VWYVXJCCZJOMEM-UHFFFAOYSA-N	0	0	185.154	1.943	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(CO)c1Cl	34476093	351441295	/nfs/dbraw/zinc/44/12/95/351441295.db2.gz	MOCPJIDJALBRIX-UHFFFAOYSA-N	0	0	187.582	1.741	50	5		ADBARN
O=Cc1c(F)ccc([N+](=O)[O-])c1F	34497287	351441564	/nfs/dbraw/zinc/44/15/64/351441564.db2.gz	KFAXVNHRKYGPED-UHFFFAOYSA-N	0	0	187.101	1.686	50	5		ADBARN
O=[N+]([O-])c1ccccc1[O-]	34719541	351444567	/nfs/dbraw/zinc/44/45/67/351444567.db2.gz	IQUPABOKLQSFBK-UHFFFAOYSA-N	0	0	139.110	1.300	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccnc1-n1ccnc1	34929130	351445656	/nfs/dbraw/zinc/44/56/56/351445656.db2.gz	ACJKDAOFHMVUOJ-UHFFFAOYSA-N	0	0	190.162	1.176	50	5		ADBARN
O=c1[nH]c2c([N+](=O)[O-])cccc2o1	34770596	351445767	/nfs/dbraw/zinc/44/57/67/351445767.db2.gz	IXZMRVOOBBPFIZ-UHFFFAOYSA-N	0	0	180.119	1.442	50	5		ADBARN
O=c1c(Cl)c[nH]cc1[N+](=O)[O-]	35270277	351449256	/nfs/dbraw/zinc/44/92/56/351449256.db2.gz	VEOKYVSPRSTYHS-UHFFFAOYSA-N	0	0	174.543	1.349	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-n2cncn2)cc1	35570229	351450525	/nfs/dbraw/zinc/45/05/25/351450525.db2.gz	YGFKLGQEQNGWOB-UHFFFAOYSA-N	0	0	190.162	1.176	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(-n2cccn2)c1	35728291	351452927	/nfs/dbraw/zinc/45/29/27/351452927.db2.gz	WTFRZFHXSRGFQB-UHFFFAOYSA-N	0	0	189.174	1.781	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnc2c(c1)CCC2	35822570	351454559	/nfs/dbraw/zinc/45/45/59/351454559.db2.gz	MOSHQQPJHRYIHH-UHFFFAOYSA-N	0	0	164.164	1.479	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-c2nnco2)o1	36378447	351456598	/nfs/dbraw/zinc/45/65/98/351456598.db2.gz	DMBJNWQLOVXFNG-UHFFFAOYSA-N	0	0	181.107	1.238	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(-c2ncc[nH]2)cc1	36379551	351456645	/nfs/dbraw/zinc/45/66/45/351456645.db2.gz	GJKIAPNNPWBCOF-UHFFFAOYSA-N	0	0	189.174	1.985	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc([C@H]2CO2)c1	36437825	351456664	/nfs/dbraw/zinc/45/66/64/351456664.db2.gz	VVZFDVJTIOLMKC-MRVPVSSYSA-N	0	0	165.148	1.666	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnc2cc(Cl)ccn12	38537197	351481926	/nfs/dbraw/zinc/48/19/26/351481926.db2.gz	OUZJWCHBKWOMPF-UHFFFAOYSA-N	0	0	197.581	1.896	50	5	in-vitro	ADBARN
O=Cc1ccsc1[N+](=O)[O-]	39017323	351485185	/nfs/dbraw/zinc/48/51/85/351485185.db2.gz	HPEZITSKOFYWSJ-UHFFFAOYSA-N	0	0	157.150	1.469	50	5		ADBARN
O=[N+]([O-])c1cccc2c1OCCO2	39188574	351497051	/nfs/dbraw/zinc/49/70/51/351497051.db2.gz	XDHJIJSXCHOQQI-UHFFFAOYSA-N	0	0	181.147	1.366	50	5		ADBARN
CC(C)(Cc1ccc(O)cc1)[N+](=O)[O-]	39306783	351500786	/nfs/dbraw/zinc/50/07/86/351500786.db2.gz	QEFUZHZUCRVJLK-UHFFFAOYSA-N	0	0	195.218	1.990	50	5		ADBARN
O=[N+]([O-])c1cccc(-n2cnnc2)c1	39331470	351500934	/nfs/dbraw/zinc/50/09/34/351500934.db2.gz	MPPCZPMXXQYFAP-UHFFFAOYSA-N	0	0	190.162	1.176	50	5		ADBARN
O=[N+]([O-])c1cccnc1OC1CCC1	39325844	351501001	/nfs/dbraw/zinc/50/10/01/351501001.db2.gz	KTNTYGPRGGVJIX-UHFFFAOYSA-N	0	0	194.190	1.921	50	5		ADBARN
O=[N+]([O-])c1cccc2c1CC[C@H]2O	39395520	351502026	/nfs/dbraw/zinc/50/20/26/351502026.db2.gz	LZMRRYRIKGREQH-SECBINFHSA-N	0	0	179.175	1.574	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc2c1CC[C@@H]2O	39395519	351502245	/nfs/dbraw/zinc/50/22/45/351502245.db2.gz	LZMRRYRIKGREQH-VIFPVBQESA-N	0	0	179.175	1.574	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccoc1	39438371	351503302	/nfs/dbraw/zinc/50/33/02/351503302.db2.gz	MUXGHJAVVZIQNB-UHFFFAOYSA-N	0	0	113.072	1.188	50	5		ADBARN
O=[N+]([O-])c1cccc2c1NCCO2	39953824	351504776	/nfs/dbraw/zinc/50/47/76/351504776.db2.gz	OEMLNKRYGKJRJY-UHFFFAOYSA-N	0	0	180.163	1.399	50	5	in-vitro	ADBARN
O=Cc1cc(F)c([N+](=O)[O-])cc1F	40566584	351509306	/nfs/dbraw/zinc/50/93/06/351509306.db2.gz	QMQRAEOCSNLDEY-UHFFFAOYSA-N	0	0	187.101	1.686	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc2n[nH]cc2c1F	42689613	351524354	/nfs/dbraw/zinc/52/43/54/351524354.db2.gz	KWAYHRXXJNBMRS-UHFFFAOYSA-N	0	0	181.126	1.610	50	5	in-vitro	ADBARN
O=c1[nH]cnc2cccc([N+](=O)[O-])c12	42684245	351524512	/nfs/dbraw/zinc/52/45/12/351524512.db2.gz	AGOKBMXSQJZEKF-UHFFFAOYSA-N	0	0	191.146	1.244	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(F)n1	43220721	351526876	/nfs/dbraw/zinc/52/68/76/351526876.db2.gz	OCOVUZVTOYAYHB-UHFFFAOYSA-N	0	0	142.089	1.129	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(F)c2c1NCC2	44699990	351540072	/nfs/dbraw/zinc/54/00/72/351540072.db2.gz	PAVIDRYITUVQFL-UHFFFAOYSA-N	0	0	182.154	1.702	50	5	in-vitro	ADBARN
CCOc1cc([N+](=O)[O-])ccn1	44790262	351540114	/nfs/dbraw/zinc/54/01/14/351540114.db2.gz	KMLVTBQETPUDFG-UHFFFAOYSA-N	0	0	168.152	1.389	50	5		ADBARN
O=[N+]([O-])c1ccc(C2(O)CC2)cc1	45796232	351543293	/nfs/dbraw/zinc/54/32/93/351543293.db2.gz	HOLQSQQZKZEYMV-UHFFFAOYSA-N	0	0	179.175	1.576	50	5		ADBARN
O=[N+]([O-])c1cncc(F)c1	66327856	351593352	/nfs/dbraw/zinc/59/33/52/351593352.db2.gz	LBPCMDALPLHBTE-UHFFFAOYSA-N	0	0	142.089	1.129	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccnc(Cl)c1F	67172216	351594121	/nfs/dbraw/zinc/59/41/21/351594121.db2.gz	RUPPDEJTTHOVGP-UHFFFAOYSA-N	0	0	176.534	1.782	50	5		ADBARN
O=[N+]([O-])c1cnn(C2CCCC2)c1	67803035	351594151	/nfs/dbraw/zinc/59/41/51/351594151.db2.gz	QTVZPYUDEBKCFJ-UHFFFAOYSA-N	0	0	181.195	1.906	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(F)c1CO	67802429	351594334	/nfs/dbraw/zinc/59/43/34/351594334.db2.gz	RHZFPVDHVXUSND-UHFFFAOYSA-N	0	0	171.127	1.226	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnn(C2CC2)c1	67802940	351594462	/nfs/dbraw/zinc/59/44/62/351594462.db2.gz	XTOMBOSUZBTHTM-UHFFFAOYSA-N	0	0	153.141	1.126	50	5		ADBARN
O=[N+]([O-])c1cnc2c(c1)CCCC2	71260706	351610685	/nfs/dbraw/zinc/61/06/85/351610685.db2.gz	HBFBJEXFVBHLIC-UHFFFAOYSA-N	0	0	178.191	1.869	50	5	in-vitro	ADBARN
O=Cc1cc2cc([N+](=O)[O-])ccc2[nH]1	71773708	351612781	/nfs/dbraw/zinc/61/27/81/351612781.db2.gz	GQBZFTRMWRYAMS-UHFFFAOYSA-N	0	0	190.158	1.889	50	5		ADBARN
O=[N+]([O-])c1ccc(OC2COC2)cc1	71791928	351613722	/nfs/dbraw/zinc/61/37/22/351613722.db2.gz	MJSQLDJAEWYVJR-UHFFFAOYSA-N	0	0	195.174	1.372	50	5		ADBARN
O=[N+]([O-])c1ccc(CO)c(F)c1	71788955	351613943	/nfs/dbraw/zinc/61/39/43/351613943.db2.gz	XYGZVFTWIGGORD-UHFFFAOYSA-N	0	0	171.127	1.226	50	5	in-vitro	ADBARN
O=Cc1cc(F)cc([N+](=O)[O-])c1	71791099	351614006	/nfs/dbraw/zinc/61/40/06/351614006.db2.gz	BNZAUKCPEARMKF-UHFFFAOYSA-N	0	0	169.111	1.546	50	5	in-vitro	ADBARN
O=Cc1cnc(Cl)c([N+](=O)[O-])c1	71788814	351614053	/nfs/dbraw/zinc/61/40/53/351614053.db2.gz	HCPSAKMGYHWRSW-UHFFFAOYSA-N	0	0	186.554	1.456	50	5		ADBARN
O=[N+]([O-])c1ccccc1OC1COC1	71791929	351614133	/nfs/dbraw/zinc/61/41/33/351614133.db2.gz	RNOJAKXHDKKDLR-UHFFFAOYSA-N	0	0	195.174	1.372	50	5		ADBARN
CC(C)CCn1cc([N+](=O)[O-])cn1	71978638	351615194	/nfs/dbraw/zinc/61/51/94/351615194.db2.gz	YVXROGVHFOYTNG-UHFFFAOYSA-N	0	0	183.211	1.837	50	5		ADBARN
O=[N+]([O-])c1cnc(F)cc1F	72265958	351618869	/nfs/dbraw/zinc/61/88/69/351618869.db2.gz	OLPMWQXRTRVQRS-UHFFFAOYSA-N	0	0	160.079	1.268	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccccc1OCCF	81135696	351632518	/nfs/dbraw/zinc/63/25/18/351632518.db2.gz	BZCYDTZLMSRNOQ-UHFFFAOYSA-N	0	0	185.154	1.943	50	5	in-vitro	ADBARN
O=c1[nH]ccc2cc([N+](=O)[O-])ccc12	82046786	351634090	/nfs/dbraw/zinc/63/40/90/351634090.db2.gz	DWFJQUBPWKLJNA-UHFFFAOYSA-N	0	0	190.158	1.436	50	5		ADBARN
C[C@@H]1CNc2cc([N+](=O)[O-])ccc2O1	83254226	351644517	/nfs/dbraw/zinc/64/45/17/351644517.db2.gz	WTAGNTAYRIAHAZ-ZCFIWIBFSA-N	0	0	194.190	1.788	50	5		ADBARN
O=[N+]([O-])c1ccn2ccnc2c1	88189767	351661975	/nfs/dbraw/zinc/66/19/75/351661975.db2.gz	XHIHNKPBMQNFSW-UHFFFAOYSA-N	0	0	163.136	1.243	50	5		ADBARN
O=[N+]([O-])c1ccc(F)nc1Cl	88189917	351662202	/nfs/dbraw/zinc/66/22/02/351662202.db2.gz	SBLKLWBROBWDAO-UHFFFAOYSA-N	0	0	176.534	1.782	50	5		ADBARN
O=[N+]([O-])c1cnc2ccc(F)cn12	89201912	351663056	/nfs/dbraw/zinc/66/30/56/351663056.db2.gz	WTEGDZZHPUPJCU-UHFFFAOYSA-N	0	0	181.126	1.382	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccc(-c2cn[nH]c2)c1	89780854	351663835	/nfs/dbraw/zinc/66/38/35/351663835.db2.gz	KLYSLFRVYACGED-UHFFFAOYSA-N	0	0	189.174	1.985	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc[n+]([O-])c2c1CCCC2	90225777	351664034	/nfs/dbraw/zinc/66/40/34/351664034.db2.gz	SWSDHCGZLPFBHU-UHFFFAOYSA-N	0	0	194.190	1.107	50	5	in-vitro	ADBARN
CCOc1ncccc1[N+](=O)[O-]	95082658	351667764	/nfs/dbraw/zinc/66/77/64/351667764.db2.gz	KJTXUEVNNJSFJA-UHFFFAOYSA-N	0	0	168.152	1.389	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccncc1N1CCCC1	95081366	351668235	/nfs/dbraw/zinc/66/82/35/351668235.db2.gz	ABJFFSHLMQHIES-UHFFFAOYSA-N	0	0	193.206	1.590	50	5		ADBARN
O=c1[nH]c2ccc([N+](=O)[O-])cc2s1	95611350	351670489	/nfs/dbraw/zinc/67/04/89/351670489.db2.gz	QITPMSSAFSZYOP-UHFFFAOYSA-N	0	0	196.187	1.498	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnn2ccc(Cl)nc12	95629931	351670944	/nfs/dbraw/zinc/67/09/44/351670944.db2.gz	VYEUPRYCLWAOMU-UHFFFAOYSA-N	0	0	198.569	1.291	50	5	in-vitro	ADBARN
CCOc1cccc([N+](=O)[O-])c1N	95628391	351671160	/nfs/dbraw/zinc/67/11/60/351671160.db2.gz	WBAPTPZBKPFPPB-UHFFFAOYSA-N	0	0	182.179	1.576	50	5		ADBARN
O=[N+]([O-])c1cnn(C2CC2)c1Cl	95803737	351673564	/nfs/dbraw/zinc/67/35/64/351673564.db2.gz	RQWKGGSXBYDRQI-UHFFFAOYSA-N	0	0	187.586	1.780	50	5		ADBARN
O=[N+]([O-])c1cccc2c1CCO2	95742668	351673618	/nfs/dbraw/zinc/67/36/18/351673618.db2.gz	IPDYBJXZGGSEJL-UHFFFAOYSA-N	0	0	165.148	1.530	50	5		ADBARN
O=Cc1ncc(Cl)cc1[N+](=O)[O-]	95762350	351673915	/nfs/dbraw/zinc/67/39/15/351673915.db2.gz	WSRAYZCNSPVZHL-UHFFFAOYSA-N	0	0	186.554	1.456	50	5		ADBARN
O=[N+]([O-])c1ccc(F)c(CCO)c1	95775284	351673953	/nfs/dbraw/zinc/67/39/53/351673953.db2.gz	MCHWKGNTOWXQDV-UHFFFAOYSA-N	0	0	185.154	1.269	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cn(C2CC2)cn1	95829797	351674781	/nfs/dbraw/zinc/67/47/81/351674781.db2.gz	ZOUJGYZBGXLVNT-UHFFFAOYSA-N	0	0	153.141	1.126	50	5		ADBARN
O=[N+]([O-])c1cccc2oncc12	95830567	351674923	/nfs/dbraw/zinc/67/49/23/351674923.db2.gz	PWRLVIBSLCSATP-UHFFFAOYSA-N	0	0	164.120	1.736	50	5		ADBARN
O=[N+]([O-])c1ccc(Cl)nc1F	95933525	351677426	/nfs/dbraw/zinc/67/74/26/351677426.db2.gz	VLSBYXNGUYWVMA-UHFFFAOYSA-N	0	0	176.534	1.782	50	5		ADBARN
O=Cc1ncc([N+](=O)[O-])cc1Cl	96028576	351678388	/nfs/dbraw/zinc/67/83/88/351678388.db2.gz	JHZABTLKWJQLTR-UHFFFAOYSA-N	0	0	186.554	1.456	50	5	in-vitro	ADBARN
CCOc1c(N)cccc1[N+](=O)[O-]	96316058	351680327	/nfs/dbraw/zinc/68/03/27/351680327.db2.gz	WBNJDFKGBPXBIM-UHFFFAOYSA-N	0	0	182.179	1.576	50	5		ADBARN
O=Cc1c(F)cc([N+](=O)[O-])cc1F	96867659	351684215	/nfs/dbraw/zinc/68/42/15/351684215.db2.gz	JNHSVSOHMUMJNK-UHFFFAOYSA-N	0	0	187.101	1.686	50	5	in-vitro	ADBARN
O=[N+]([O-])c1ccc(N2CCC2)nc1	98213546	351685083	/nfs/dbraw/zinc/68/50/83/351685083.db2.gz	LEZHBFZHPMIYPR-UHFFFAOYSA-N	0	0	179.179	1.200	50	5		ADBARN
O=[N+]([O-])c1ccc(OC(F)F)nc1	114087770	351723557	/nfs/dbraw/zinc/72/35/57/351723557.db2.gz	WLHADOSXRICWAB-UHFFFAOYSA-N	0	0	190.105	1.591	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cc(F)c(F)cc1CO	117951887	351726061	/nfs/dbraw/zinc/72/60/61/351726061.db2.gz	BPPXTUUKWURHBO-UHFFFAOYSA-N	0	0	189.117	1.365	50	5	in-vitro	ADBARN
CCOc1ccc(O)cc1[N+](=O)[O-]	162103337	351760626	/nfs/dbraw/zinc/76/06/26/351760626.db2.gz	HULHXYZRPSYIKR-UHFFFAOYSA-N	0	0	183.163	1.699	50	5		ADBARN
O=Cc1c(F)cc(F)cc1[N+](=O)[O-]	169800328	351771241	/nfs/dbraw/zinc/77/12/41/351771241.db2.gz	RTMILDSHLKDGLL-UHFFFAOYSA-N	0	0	187.101	1.686	50	5		ADBARN
Cc1c([N+](=O)[O-])ccc(N)c1F	169801429	351771478	/nfs/dbraw/zinc/77/14/78/351771478.db2.gz	PUVHWWSNBSKAJM-UHFFFAOYSA-N	0	0	170.143	1.625	50	5		ADBARN
Nc1c(F)cc([N+](=O)[O-])c(F)c1F	199748009	351779844	/nfs/dbraw/zinc/77/98/44/351779844.db2.gz	RQRCFULIICUDSN-UHFFFAOYSA-N	0	0	192.096	1.594	50	5		ADBARN
O=[N+]([O-])c1ccc(C(F)F)nc1	215773789	351786642	/nfs/dbraw/zinc/78/66/42/351786642.db2.gz	QBVBANWRADHVHP-UHFFFAOYSA-N	0	0	174.106	1.927	50	5	in-vitro	ADBARN
COc1ccc(F)c(F)c1[N+](=O)[O-]	220100921	351791941	/nfs/dbraw/zinc/79/19/41/351791941.db2.gz	QWHFCBJLLRPNGK-UHFFFAOYSA-N	0	0	189.117	1.882	50	5		ADBARN
O=Cc1nc2cc([N+](=O)[O-])ccc2o1	226240859	351801712	/nfs/dbraw/zinc/80/17/12/351801712.db2.gz	YSCAUYTYJXOCBI-UHFFFAOYSA-N	0	0	192.130	1.549	50	5		ADBARN
O=Cc1cc(F)c(F)c([N+](=O)[O-])c1	258078524	351858716	/nfs/dbraw/zinc/85/87/16/351858716.db2.gz	VJKNMTQRGLQIHU-UHFFFAOYSA-N	0	0	187.101	1.686	50	5		ADBARN
Cc1ncn(CC2CC2)c1[N+](=O)[O-]	261508471	351892102	/nfs/dbraw/zinc/89/21/02/351892102.db2.gz	SVXYYAISAFZAHU-UHFFFAOYSA-N	0	0	181.195	1.510	50	5		ADBARN
O=[N+]([O-])c1cc(Cl)c2nccn2c1	307248654	351998409	/nfs/dbraw/zinc/99/84/09/351998409.db2.gz	AUVYSHCOUJTHLK-UHFFFAOYSA-N	0	0	197.581	1.896	50	5		ADBARN
Cc1cc(F)cc(C(N)=O)c1[N+](=O)[O-]	307347780	352005811	/nfs/dbraw/zinc/00/58/11/352005811.db2.gz	QUFLYDXFGDRUPV-UHFFFAOYSA-N	0	0	198.153	1.141	50	5		ADBARN
Cc1cc(C)c([N+](=O)[O-])c(C(N)=O)c1	307400782	352010109	/nfs/dbraw/zinc/01/01/09/352010109.db2.gz	AJSOPJXXBUQVLA-UHFFFAOYSA-N	0	0	194.190	1.311	50	5		ADBARN
CCn1cnc([N+](=O)[O-])c1C	408716822	352158650	/nfs/dbraw/zinc/15/86/50/352158650.db2.gz	RJJLBLHCXOJGGP-UHFFFAOYSA-N	0	0	155.157	1.120	50	5		ADBARN
CN1C(=O)Cc2ccc([N+](=O)[O-])cc21	498050930	352162650	/nfs/dbraw/zinc/16/26/50/352162650.db2.gz	RWDCBOPMGNVVOV-UHFFFAOYSA-N	0	0	192.174	1.114	50	5	in-vitro	ADBARN
COc1c(N)ccc([N+](=O)[O-])c1F	575442719	352206089	/nfs/dbraw/zinc/20/60/89/352206089.db2.gz	NBTHWDFBBGFYKF-UHFFFAOYSA-N	0	0	186.142	1.325	50	5		ADBARN
Nc1cc(Cl)cc(F)c1[N+](=O)[O-]	575722132	352901822	/nfs/dbraw/zinc/90/18/22/352901822.db2.gz	GIOPZRJOGOUPMU-UHFFFAOYSA-N	0	0	190.561	1.970	50	5		ADBARN
COc1c(N)cc([N+](=O)[O-])cc1F	575727157	352904381	/nfs/dbraw/zinc/90/43/81/352904381.db2.gz	MBLXUSZWFUEGSB-UHFFFAOYSA-N	0	0	186.142	1.325	50	5	in-vitro	ADBARN
COc1cc(N)c([N+](=O)[O-])c(F)c1	575726534	352904541	/nfs/dbraw/zinc/90/45/41/352904541.db2.gz	CPSXRDNMXIUMQK-UHFFFAOYSA-N	0	0	186.142	1.325	50	5		ADBARN
COc1c(N)ccc(F)c1[N+](=O)[O-]	575727995	352905360	/nfs/dbraw/zinc/90/53/60/352905360.db2.gz	YSVDABATHQBBKE-UHFFFAOYSA-N	0	0	186.142	1.325	50	5		ADBARN
CC[C@@](C)([N+](=O)[O-])C(C)(C)[N+](=O)[O-]	3070205	371617096	/nfs/dbraw/zinc/61/70/96/371617096.db2.gz	IXKCCSQYPRNQNI-SSDOTTSWSA-N	0	0	190.199	1.487	50	5		ADBARN
O=[N+]([O-])c1ccc(N2CCCC2)nc1	19645556	371629146	/nfs/dbraw/zinc/62/91/46/371629146.db2.gz	URFBPCUSVFCNSQ-UHFFFAOYSA-N	0	0	193.206	1.590	50	5	in-vitro	ADBARN
O=c1ccc2cc([N+](=O)[O-])c[nH]c-2c1	36138814	371633022	/nfs/dbraw/zinc/63/30/22/371633022.db2.gz	ZPXQGAAMLVFFOC-UHFFFAOYSA-N	0	0	190.158	1.849	50	5		ADBARN
O=c1ccc2ccc([N+](=O)[O-])cc2[nH]1	91301499	371655235	/nfs/dbraw/zinc/65/52/35/371655235.db2.gz	ZZVKOBBRQRBYRF-UHFFFAOYSA-N	0	0	190.158	1.436	50	5	in-vitro	ADBARN
Cc1c(F)ccc([N+](=O)[O-])c1N	3884493	375287793	/nfs/dbraw/zinc/28/77/93/375287793.db2.gz	CRPZQUGQOPIFPQ-UHFFFAOYSA-N	0	0	170.143	1.625	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnc(Cl)c(F)c1	63772316	375314981	/nfs/dbraw/zinc/31/49/81/375314981.db2.gz	SHXURKRHCSAERA-UHFFFAOYSA-N	0	0	176.534	1.782	50	5		ADBARN
O=[N+]([O-])c1ccc(-n2cccc2)nc1	15937675	409314396	/nfs/dbraw/zinc/31/43/96/409314396.db2.gz	KKUKCVWCVBNWBG-UHFFFAOYSA-N	0	0	189.174	1.781	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cnc2cc[nH]cc1-2	100009836	409441093	/nfs/dbraw/zinc/44/10/93/409441093.db2.gz	RLOJFVDMKIHFPQ-UHFFFAOYSA-N	0	0	163.136	1.471	50	5	in-vitro	ADBARN
O=[N+]([O-])c1cccnc1OCC1CC1	261494500	409529218	/nfs/dbraw/zinc/52/92/18/409529218.db2.gz	ZEFNENZCQFCHKW-UHFFFAOYSA-N	0	0	194.190	1.779	50	5		ADBARN
O=Cc1cc(F)c([N+](=O)[O-])c(F)c1	261494312	409528756	/nfs/dbraw/zinc/52/87/56/409528756.db2.gz	USSZMNKNOZKMEM-UHFFFAOYSA-N	0	0	187.101	1.686	50	5		ADBARN
CCOc1cc(C)c([N+](=O)[O-])cn1	261494233	409528848	/nfs/dbraw/zinc/52/88/48/409528848.db2.gz	SINRGLILAMTWAJ-UHFFFAOYSA-N	0	0	182.179	1.697	50	5		ADBARN
Cc1cc2c(c([N+](=O)[O-])c1)OCCO2	259381082	573225447	/nfs/dbraw/zinc/22/54/47/573225447.db2.gz	GULHJQHAMGELCN-UHFFFAOYSA-N	0	0	195.174	1.674	50	5		ADBARN
O=[N+]([O-])c1ccccc1	896426	518203086	/nfs/dbraw/zinc/20/30/86/518203086.db2.gz	LQNUZADURLCDLV-UHFFFAOYSA-N	0	0	123.111	1.595	50	5	biogenic,in-man	ADBARN
CC(=O)Nc1c(C)cccc1[N+](=O)[O-]	4474243	519701880	/nfs/dbraw/zinc/70/18/80/519701880.db2.gz	VWGWKZKGMNQBIK-UHFFFAOYSA-N	0	0	194.190	1.862	50	5	in-vitro	ADBARN
CCOc1cc(N)ccc1[N+](=O)[O-]	82523369	520748685	/nfs/dbraw/zinc/74/86/85/520748685.db2.gz	PQKLWSDPMIJHSY-UHFFFAOYSA-N	0	0	182.179	1.576	50	5		ADBARN
NNc1ccc([N+](=O)[O-])c(Cl)c1	96570069	631164662	/nfs/dbraw/zinc/16/46/62/631164662.db2.gz	JKJSMRINEPDWGA-UHFFFAOYSA-N	0	0	187.586	1.534	50	5		ADBARN
Nc1cc([N+](=O)[O-])c(Cl)cc1F	2524484	527460079	/nfs/dbraw/zinc/46/00/79/527460079.db2.gz	WRULFQRXGSSDPQ-UHFFFAOYSA-N	0	0	190.561	1.970	50	5	in-vitro	ADBARN