smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1nc[n-]c1-c1nnc(C2CCCC2)o1	ZINC001257568476	971453111	/nfs/dbraw/zinc/45/31/11/971453111.db2.gz	XFWMZNFDOPHFFZ-UHFFFAOYSA-N	-1	1	249.230	2.026	20	5		BEBDMM
Cc1noc([N-]c2ccc([N+](=O)[O-])nc2)c1C	ZINC001203561480	966688616	/nfs/dbraw/zinc/68/86/16/966688616.db2.gz	XZYYKJNLVALDPA-UHFFFAOYSA-N	-1	1	234.215	2.338	20	5		BEBDMM
Cc1nccc(Nc2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC001210393251	969881915	/nfs/dbraw/zinc/88/19/15/969881915.db2.gz	WMCOZXOMPJIUFG-UHFFFAOYSA-N	-1	1	246.226	2.142	20	5		BEBDMM
Cc1conc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210392096	969882558	/nfs/dbraw/zinc/88/25/58/969882558.db2.gz	AYQBRUZLUKULNW-UHFFFAOYSA-N	-1	1	235.199	2.340	20	5		BEBDMM
Nc1cccnc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210393788	969883270	/nfs/dbraw/zinc/88/32/70/969883270.db2.gz	ZERVBJHWDRIEBQ-UHFFFAOYSA-N	-1	1	246.226	2.021	20	5		BEBDMM
C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C1CCC1	ZINC001225665505	974634515	/nfs/dbraw/zinc/63/45/15/974634515.db2.gz	BCQLRCSEKHSCPD-SSDOTTSWSA-N	-1	1	238.243	2.263	20	5		BEBDMM
CCCC[C@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC001228140663	975938669	/nfs/dbraw/zinc/93/86/69/975938669.db2.gz	LYGJUWHYHSPOGN-ZETCQYMHSA-N	-1	1	241.247	2.048	20	5		BEBDMM
Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C=CCC2)n1	ZINC001231264074	977546393	/nfs/dbraw/zinc/54/63/93/977546393.db2.gz	OKPSKNQFIPSGFR-MRVPVSSYSA-N	-1	1	236.227	2.101	20	5		BEBDMM
CCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000100866872	344417206	/nfs/dbraw/zinc/41/72/06/344417206.db2.gz	CZDCQYQFTVZQFJ-UHFFFAOYSA-N	-1	1	233.227	2.098	20	5		BEBDMM
CC(C)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1	ZINC000265043004	188371496	/nfs/dbraw/zinc/37/14/96/188371496.db2.gz	RCAQGTSUUDIKHN-UHFFFAOYSA-N	-1	1	236.231	2.171	20	5		BEBDMM
O=C(Nc1cccc(F)c1)c1ccc([N+](=O)[O-])[n-]1	ZINC000336343564	182369858	/nfs/dbraw/zinc/36/98/58/182369858.db2.gz	WRMVLNVETMOTAM-UHFFFAOYSA-N	-1	1	249.201	2.314	20	5		BEBDMM
CCN(CC)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000338898538	383850895	/nfs/dbraw/zinc/85/08/95/383850895.db2.gz	VHGIAPBWXCNYFR-UHFFFAOYSA-N	-1	1	224.260	2.142	20	5		BEBDMM
C[C@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C1CC1	ZINC000273837441	177055423	/nfs/dbraw/zinc/05/54/23/177055423.db2.gz	BIHOSUFPVRQVBT-LURJTMIESA-N	-1	1	248.242	2.486	20	5		BEBDMM
C[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000330446618	177111070	/nfs/dbraw/zinc/11/10/70/177111070.db2.gz	DYNJMESOIBECMN-VIFPVBQESA-N	-1	1	236.271	2.285	20	5		BEBDMM
CC(C)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000769049071	585548090	/nfs/dbraw/zinc/54/80/90/585548090.db2.gz	VLEXLFDLBDAHTC-UHFFFAOYSA-N	-1	1	239.227	2.113	20	5		BEBDMM
CCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000769045644	585548098	/nfs/dbraw/zinc/54/80/98/585548098.db2.gz	CNDUJSGOVXACSK-UHFFFAOYSA-N	-1	1	239.227	2.257	20	5		BEBDMM
COC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229751808	967602451	/nfs/dbraw/zinc/60/24/51/967602451.db2.gz	YDXWTANCFFWSTL-QMMMGPOBSA-N	-1	1	241.243	2.023	20	5		BEBDMM
Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)no1	ZINC001210393355	969881361	/nfs/dbraw/zinc/88/13/61/969881361.db2.gz	ZUUQTDWXGNPXRA-UHFFFAOYSA-N	-1	1	235.199	2.340	20	5		BEBDMM
O=c1cc[n-]c(O[C@H]2C=CCCC2)c1[N+](=O)[O-]	ZINC001225666670	974635936	/nfs/dbraw/zinc/63/59/36/974635936.db2.gz	KOUBNKMOXNBOCB-QMMMGPOBSA-N	-1	1	236.227	2.183	20	5		BEBDMM
C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C1CC1	ZINC001229397262	976857301	/nfs/dbraw/zinc/85/73/01/976857301.db2.gz	FQNATUHQJWYAJW-ZETCQYMHSA-N	-1	1	223.228	2.478	20	5		BEBDMM
O=[N+]([O-])c1ccc([O-])c(O[C@@H]2C[C@H]3C[C@H]3C2)c1	ZINC001229396241	976858593	/nfs/dbraw/zinc/85/85/93/976858593.db2.gz	RRLOXNGFGJPUOF-DIYOJNKTSA-N	-1	1	235.239	2.478	20	5		BEBDMM
Cc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[n-]1	ZINC000601935723	342797437	/nfs/dbraw/zinc/79/74/37/342797437.db2.gz	MFZQWRDZHIWTEX-UHFFFAOYSA-N	-1	1	233.227	2.016	20	5		BEBDMM
CC12CC(C1)CN2Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000595919590	348401169	/nfs/dbraw/zinc/40/11/69/348401169.db2.gz	KIUDYWSBWSCOFB-UHFFFAOYSA-N	-1	1	248.282	2.285	20	5		BEBDMM
O=[N+]([O-])c1ccc(-c2nc(-c3ccoc3)no2)[n-]1	ZINC000350813047	371595475	/nfs/dbraw/zinc/59/54/75/371595475.db2.gz	BDJGRZGIPDDFSH-UHFFFAOYSA-N	-1	1	246.182	2.233	20	5		BEBDMM
CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1	ZINC000336508691	172341550	/nfs/dbraw/zinc/34/15/50/172341550.db2.gz	JQIKWBPPYPSOFN-UHFFFAOYSA-N	-1	1	245.238	2.200	20	5		BEBDMM
CC[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000780071454	585771582	/nfs/dbraw/zinc/77/15/82/585771582.db2.gz	HRIFGWIPLKGIAI-ZETCQYMHSA-N	-1	1	239.227	2.256	20	5		BEBDMM
Cc1ncc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC001210393465	969881893	/nfs/dbraw/zinc/88/18/93/969881893.db2.gz	VIVCPZQCLJCQLS-UHFFFAOYSA-N	-1	1	246.226	2.142	20	5		BEBDMM
C[C@@H]1CC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1	ZINC001225665969	974633757	/nfs/dbraw/zinc/63/37/57/974633757.db2.gz	DVBWUANJSYEKCS-SFYZADRCSA-N	-1	1	238.243	2.263	20	5		BEBDMM
CC(C)OCCOc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229396889	976858160	/nfs/dbraw/zinc/85/81/60/976858160.db2.gz	BSWOBKJFJRQVAM-UHFFFAOYSA-N	-1	1	241.243	2.104	20	5		BEBDMM
O=[N+]([O-])c1ccc([O-])c(OC2CC(F)(F)C2)c1	ZINC001229395097	976859228	/nfs/dbraw/zinc/85/92/28/976859228.db2.gz	FICSIZOOBYUNQM-UHFFFAOYSA-N	-1	1	245.181	2.477	20	5		BEBDMM
Cc1cc([O-])c(OC(C)C)cc1[N+](=O)[O-]	ZINC001229750670	976981370	/nfs/dbraw/zinc/98/13/70/976981370.db2.gz	QIQAUXVMUZNQII-UHFFFAOYSA-N	-1	1	211.217	2.396	20	5		BEBDMM
O=[N+]([O-])c1ccc(F)c([N-]c2ncco2)c1	ZINC001175735441	977672395	/nfs/dbraw/zinc/67/23/95/977672395.db2.gz	VHECHZRCWPMOMD-UHFFFAOYSA-N	-1	1	223.163	2.466	20	5		BEBDMM
CCCN(C)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000338940622	169081692	/nfs/dbraw/zinc/08/16/92/169081692.db2.gz	CRUTVCMSNCIWQJ-UHFFFAOYSA-N	-1	1	224.260	2.142	20	5		BEBDMM
O=[N+]([O-])c1ccc([O-])c(OC2CC=CC2)c1	ZINC001229398651	964118673	/nfs/dbraw/zinc/11/86/73/964118673.db2.gz	XIFOFSHYZLCFMG-UHFFFAOYSA-N	-1	1	221.212	2.398	20	5		BEBDMM
O=[N+]([O-])c1cc(Nc2ccccn2)ccc1[O-]	ZINC001210392164	969881593	/nfs/dbraw/zinc/88/15/93/969881593.db2.gz	CMDLURLUJHTDEZ-UHFFFAOYSA-N	-1	1	231.211	2.439	20	5		BEBDMM
Cc1nonc1[N-]c1cc([N+](=O)[O-])ccc1C	ZINC001211285728	970215573	/nfs/dbraw/zinc/21/55/73/970215573.db2.gz	JGMNVVCAFAAALJ-UHFFFAOYSA-N	-1	1	234.215	2.338	20	5		BEBDMM
Cc1ccc([N-]c2ncccn2)c([N+](=O)[O-])c1	ZINC001214165517	970442843	/nfs/dbraw/zinc/44/28/43/970442843.db2.gz	VWWQBKIZLXSNAT-UHFFFAOYSA-N	-1	1	230.227	2.437	20	5		BEBDMM
CCO[C@H](C)COc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229394972	976855309	/nfs/dbraw/zinc/85/53/09/976855309.db2.gz	DARPFJSKQBTEEG-MRVPVSSYSA-N	-1	1	241.243	2.104	20	5		BEBDMM
CCOC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395078	976857564	/nfs/dbraw/zinc/85/75/64/976857564.db2.gz	FCMRBCGTHAFLRN-MRVPVSSYSA-N	-1	1	241.243	2.104	20	5		BEBDMM
O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000335912758	344084236	/nfs/dbraw/zinc/08/42/36/344084236.db2.gz	VRVUHBOPCHQAIV-UHFFFAOYSA-N	-1	1	231.211	2.175	20	5		BEBDMM
CCc1c(C)[n-]n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000103316167	358044791	/nfs/dbraw/zinc/04/47/91/358044791.db2.gz	GGRQHYCEYVVHDG-NSHDSACASA-N	-1	1	247.254	2.344	20	5		BEBDMM
CCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[n-]1	ZINC000601935589	371776769	/nfs/dbraw/zinc/77/67/69/371776769.db2.gz	KXHKEKUGGFNQFV-UHFFFAOYSA-N	-1	1	247.254	2.406	20	5		BEBDMM
Cc1ncncc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210392488	969881251	/nfs/dbraw/zinc/88/12/51/969881251.db2.gz	FEUJBQQOZNYNKV-UHFFFAOYSA-N	-1	1	246.226	2.142	20	5		BEBDMM
Cc1cncc(Nc2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC001210392845	969882046	/nfs/dbraw/zinc/88/20/46/969882046.db2.gz	OAUAJQGYUIKVGJ-UHFFFAOYSA-N	-1	1	246.226	2.142	20	5		BEBDMM
CCC[C@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC001228142262	975937123	/nfs/dbraw/zinc/93/71/23/975937123.db2.gz	CBEYYVMGKSFJEW-ZETCQYMHSA-N	-1	1	241.247	2.048	20	5		BEBDMM
O=[N+]([O-])c1ccc([O-])c(OC2CCC2)c1	ZINC001229398557	976858061	/nfs/dbraw/zinc/85/80/61/976858061.db2.gz	VORFCFYWLNMVHX-UHFFFAOYSA-N	-1	1	209.201	2.232	20	5		BEBDMM
Cc1cc([O-])c(OC2CC2)cc1[N+](=O)[O-]	ZINC001229755187	976977642	/nfs/dbraw/zinc/97/76/42/976977642.db2.gz	XICOTVMPEDUFTO-UHFFFAOYSA-N	-1	1	209.201	2.150	20	5		BEBDMM
Cc1ncc([N+](=O)[O-])cc1[N-]c1ncco1	ZINC001248746351	989141756	/nfs/dbraw/zinc/14/17/56/989141756.db2.gz	LCFWVICUYRVJHK-UHFFFAOYSA-N	-1	1	220.188	2.030	20	5		BEBDMM
CCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[n-]1	ZINC000601940735	371778213	/nfs/dbraw/zinc/77/82/13/371778213.db2.gz	RBQJIIWRFMHKCQ-UHFFFAOYSA-N	-1	1	247.254	2.406	20	5		BEBDMM
Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)nn1C	ZINC001210392084	969882022	/nfs/dbraw/zinc/88/20/22/969882022.db2.gz	ANWOXLVRRFSQEX-UHFFFAOYSA-N	-1	1	248.242	2.086	20	5		BEBDMM
O=[N+]([O-])c1cc(Nc2ncccc2O)ccc1[O-]	ZINC001210392432	969882705	/nfs/dbraw/zinc/88/27/05/969882705.db2.gz	DEOXXWXWRBPGJW-UHFFFAOYSA-N	-1	1	247.210	2.145	20	5		BEBDMM
O=c1cc[n-]c(OC2CCCCC2)c1[N+](=O)[O-]	ZINC001225666387	974633993	/nfs/dbraw/zinc/63/39/93/974633993.db2.gz	HSUIVLAJHVGMGM-UHFFFAOYSA-N	-1	1	238.243	2.407	20	5		BEBDMM
CCC[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-]	ZINC001225665509	974635911	/nfs/dbraw/zinc/63/59/11/974635911.db2.gz	BEKOVSDXSMFZKN-SSDOTTSWSA-N	-1	1	226.232	2.263	20	5		BEBDMM
O=[N+]([O-])c1ccc([O-])c(O[C@H]2C=CCC2)c1	ZINC001229396449	976858834	/nfs/dbraw/zinc/85/88/34/976858834.db2.gz	UJMNLBJEBHRXPE-VIFPVBQESA-N	-1	1	221.212	2.398	20	5		BEBDMM
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1	ZINC000335777150	344029475	/nfs/dbraw/zinc/02/94/75/344029475.db2.gz	LWGZJLSWISICDV-UHFFFAOYSA-N	-1	1	245.238	2.484	20	5		BEBDMM
CCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[n-]1	ZINC000601942043	349393425	/nfs/dbraw/zinc/39/34/25/349393425.db2.gz	GNXKWVKYRUGJLI-UHFFFAOYSA-N	-1	1	247.254	2.406	20	5		BEBDMM
O=[N+]([O-])c1ccc(-c2nc(CCC3CC3)no2)[n-]1	ZINC000274165158	388652657	/nfs/dbraw/zinc/65/26/57/388652657.db2.gz	YHCJQIFOAILGTI-UHFFFAOYSA-N	-1	1	248.242	2.316	20	5		BEBDMM
CC(C)(C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1	ZINC000349878777	133923827	/nfs/dbraw/zinc/92/38/27/133923827.db2.gz	LHVLNGGFYJGSKF-UHFFFAOYSA-N	-1	1	236.231	2.270	20	5		BEBDMM
C[C@@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C1CC1	ZINC000273837443	176040307	/nfs/dbraw/zinc/04/03/07/176040307.db2.gz	BIHOSUFPVRQVBT-ZCFIWIBFSA-N	-1	1	248.242	2.486	20	5		BEBDMM
C[C@@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1	ZINC000545058265	325173686	/nfs/dbraw/zinc/17/36/86/325173686.db2.gz	VWCOVFKNMVRGQP-RITPCOANSA-N	-1	1	234.215	2.096	20	5		BEBDMM
O=[N+]([O-])c1cc(F)ccc1[N-]c1ccon1	ZINC001210949138	957958146	/nfs/dbraw/zinc/95/81/46/957958146.db2.gz	HMAIRYLJRWIGLO-UHFFFAOYSA-N	-1	1	223.163	2.466	20	5		BEBDMM
Cc1conc1[N-]c1ccc([N+](=O)[O-])nc1	ZINC001203561020	966686580	/nfs/dbraw/zinc/68/65/80/966686580.db2.gz	SXBNLMUMUODQMZ-UHFFFAOYSA-N	-1	1	220.188	2.030	20	5		BEBDMM
Cc1cncnc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210395432	969884451	/nfs/dbraw/zinc/88/44/51/969884451.db2.gz	WKPMPUOZAWVLKY-UHFFFAOYSA-N	-1	1	246.226	2.142	20	5		BEBDMM
CCC[C@@H](CC)Oc1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC001228142260	975935263	/nfs/dbraw/zinc/93/52/63/975935263.db2.gz	CBEYYVMGKSFJEW-SSDOTTSWSA-N	-1	1	241.247	2.048	20	5		BEBDMM
CCOC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395081	976857024	/nfs/dbraw/zinc/85/70/24/976857024.db2.gz	FCMRBCGTHAFLRN-QMMMGPOBSA-N	-1	1	241.243	2.104	20	5		BEBDMM
O=[N+]([O-])c1ccc([O-])c(O[C@@H]2C=CCC2)c1	ZINC001229396448	976858051	/nfs/dbraw/zinc/85/80/51/976858051.db2.gz	UJMNLBJEBHRXPE-SECBINFHSA-N	-1	1	221.212	2.398	20	5		BEBDMM
CC[C@@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-]	ZINC001231260229	977548886	/nfs/dbraw/zinc/54/88/86/977548886.db2.gz	SUQGKHWOKYJSKH-SSDOTTSWSA-N	-1	1	226.232	2.181	20	5		BEBDMM
Cc1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[n-]1	ZINC000601937980	349391713	/nfs/dbraw/zinc/39/17/13/349391713.db2.gz	DVPYEXHCNQFKBD-UHFFFAOYSA-N	-1	1	233.227	2.016	20	5		BEBDMM
Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[n-]1	ZINC000601942634	349393260	/nfs/dbraw/zinc/39/32/60/349393260.db2.gz	LSGCMZNRSFNJBG-UHFFFAOYSA-N	-1	1	233.227	2.016	20	5		BEBDMM
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1	ZINC000334435746	383875925	/nfs/dbraw/zinc/87/59/25/383875925.db2.gz	PCNAIVVDELIZRI-UHFFFAOYSA-N	-1	1	245.238	2.484	20	5		BEBDMM
C[C@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1	ZINC000545058263	325173967	/nfs/dbraw/zinc/17/39/67/325173967.db2.gz	VWCOVFKNMVRGQP-NTSWFWBYSA-N	-1	1	234.215	2.096	20	5		BEBDMM
CC[C@@H](COc1cc([N+](=O)[O-])ccc1[O-])OC	ZINC001229396093	976858486	/nfs/dbraw/zinc/85/84/86/976858486.db2.gz	PRRHHCYPJJTLHY-VIFPVBQESA-N	-1	1	241.243	2.104	20	5		BEBDMM
Cc1c(Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1C	ZINC001210393046	957743235	/nfs/dbraw/zinc/74/32/35/957743235.db2.gz	UZIGALGTDQTROZ-UHFFFAOYSA-N	-1	1	248.242	2.086	20	5		BEBDMM
C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C1CCC1	ZINC001225665507	974635068	/nfs/dbraw/zinc/63/50/68/974635068.db2.gz	BCQLRCSEKHSCPD-ZETCQYMHSA-N	-1	1	238.243	2.263	20	5		BEBDMM
CCCC[C@@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC001228143525	975942365	/nfs/dbraw/zinc/94/23/65/975942365.db2.gz	LYGJUWHYHSPOGN-SSDOTTSWSA-N	-1	1	241.247	2.048	20	5		BEBDMM
CCO[C@@H](C)COc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229394973	976853542	/nfs/dbraw/zinc/85/35/42/976853542.db2.gz	DARPFJSKQBTEEG-QMMMGPOBSA-N	-1	1	241.243	2.104	20	5		BEBDMM
CC[C@H](COC)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395759	976859522	/nfs/dbraw/zinc/85/95/22/976859522.db2.gz	LFDDEPWQIRNXRO-SECBINFHSA-N	-1	1	241.243	2.104	20	5		BEBDMM
CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC1	ZINC000093475660	353487050	/nfs/dbraw/zinc/48/70/50/353487050.db2.gz	PVLKKQFGQKNIJV-UHFFFAOYSA-N	-1	1	236.271	2.285	20	5		BEBDMM
O=C(Nc1ccsc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000334490597	386339564	/nfs/dbraw/zinc/33/95/64/386339564.db2.gz	NRVPKCXGJRTBJK-UHFFFAOYSA-N	-1	1	237.240	2.237	20	5		BEBDMM
Cc1nn(C)cc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210393354	969882288	/nfs/dbraw/zinc/88/22/88/969882288.db2.gz	ZPNSUYDTFHWXJI-UHFFFAOYSA-N	-1	1	248.242	2.086	20	5		BEBDMM
C[C@H]1CCC[C@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-]	ZINC001225663188	974632152	/nfs/dbraw/zinc/63/21/52/974632152.db2.gz	ZVAURGSWFDJHKV-IONNQARKSA-N	-1	1	238.243	2.263	20	5		BEBDMM
C[C@@H]1CC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1	ZINC001225665965	974635124	/nfs/dbraw/zinc/63/51/24/974635124.db2.gz	DVBWUANJSYEKCS-HTQZYQBOSA-N	-1	1	238.243	2.263	20	5		BEBDMM
O=c1cc[n-]c(O[C@@H]2C=CCCC2)c1[N+](=O)[O-]	ZINC001225666669	974635791	/nfs/dbraw/zinc/63/57/91/974635791.db2.gz	KOUBNKMOXNBOCB-MRVPVSSYSA-N	-1	1	236.227	2.183	20	5		BEBDMM
CC[C@H](COc1cc([N+](=O)[O-])ccc1[O-])OC	ZINC001229396092	976856682	/nfs/dbraw/zinc/85/66/82/976856682.db2.gz	PRRHHCYPJJTLHY-SECBINFHSA-N	-1	1	241.243	2.104	20	5		BEBDMM
CC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395170	976858183	/nfs/dbraw/zinc/85/81/83/976858183.db2.gz	FXWIDOHKECPHJY-SSDOTTSWSA-N	-1	1	211.217	2.478	20	5		BEBDMM
CO[C@H](C)CCOc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395739	976858207	/nfs/dbraw/zinc/85/82/07/976858207.db2.gz	KSBFQUBWLNJHLZ-MRVPVSSYSA-N	-1	1	241.243	2.104	20	5		BEBDMM
Cc1cc([O-])c([N+](=O)[O-])c(OC2CC=CC2)n1	ZINC001231259047	977550892	/nfs/dbraw/zinc/55/08/92/977550892.db2.gz	DQFDABWCWDEOKF-UHFFFAOYSA-N	-1	1	236.227	2.101	20	5		BEBDMM
O=[N+]([O-])c1ccc(F)c([N-]c2cnns2)c1	ZINC001175734181	977672717	/nfs/dbraw/zinc/67/27/17/977672717.db2.gz	NBTZWYFYIJVGLA-UHFFFAOYSA-N	-1	1	240.219	2.329	20	5		BEBDMM
O=[N+]([O-])/C=C/c1ccc([N-]c2nnco2)cc1	ZINC001175899868	977811705	/nfs/dbraw/zinc/81/17/05/977811705.db2.gz	BIAQOHXEGUEYAH-AATRIKPKSA-N	-1	1	232.199	2.061	20	5		BEBDMM
CC[C@@H](C)CON=c1[n-]cccc1[N+](=O)[O-]	ZINC000291848063	386202545	/nfs/dbraw/zinc/20/25/45/386202545.db2.gz	MGGBXWCLGCBTPY-MRVPVSSYSA-N	-1	1	225.248	2.379	20	5		BEBDMM
Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(C)n1	ZINC001210392721	957741256	/nfs/dbraw/zinc/74/12/56/957741256.db2.gz	MFGJNTAIEYNATJ-UHFFFAOYSA-N	-1	1	248.242	2.086	20	5		BEBDMM
O=[N+]([O-])c1cc(F)ccc1[N-]c1ncccn1	ZINC001210949074	957959318	/nfs/dbraw/zinc/95/93/18/957959318.db2.gz	GINNEBVHPQQGFW-UHFFFAOYSA-N	-1	1	234.190	2.268	20	5		BEBDMM
Cc1c(Nc2ccc([O-])c([N+](=O)[O-])c2)ncn1C	ZINC001210396433	969883746	/nfs/dbraw/zinc/88/37/46/969883746.db2.gz	RMXPPKSPWLUDMN-UHFFFAOYSA-N	-1	1	248.242	2.086	20	5		BEBDMM
CCC[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-]	ZINC001225663272	974632775	/nfs/dbraw/zinc/63/27/75/974632775.db2.gz	BEKOVSDXSMFZKN-ZETCQYMHSA-N	-1	1	226.232	2.263	20	5		BEBDMM
C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C1CC1	ZINC001229397261	976856745	/nfs/dbraw/zinc/85/67/45/976856745.db2.gz	FQNATUHQJWYAJW-SSDOTTSWSA-N	-1	1	223.228	2.478	20	5		BEBDMM
CC[C@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-]	ZINC001231260230	977548455	/nfs/dbraw/zinc/54/84/55/977548455.db2.gz	SUQGKHWOKYJSKH-ZETCQYMHSA-N	-1	1	226.232	2.181	20	5		BEBDMM
CCc1cc([N-]c2ccc([N+](=O)[O-])nc2)on1	ZINC001203569181	979835577	/nfs/dbraw/zinc/83/55/77/979835577.db2.gz	WQUHSWQXGBIRID-UHFFFAOYSA-N	-1	1	234.215	2.284	20	5		BEBDMM
CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1	ZINC000338906422	344588147	/nfs/dbraw/zinc/58/81/47/344588147.db2.gz	UORSBHCVQGATKX-UHFFFAOYSA-N	-1	1	236.271	2.285	20	5		BEBDMM
Cc1c[n-]c(=NOCC(C)C)c([N+](=O)[O-])c1	ZINC000276208142	188201794	/nfs/dbraw/zinc/20/17/94/188201794.db2.gz	JRVPKIVDVBUOHT-UHFFFAOYSA-N	-1	1	225.248	2.298	20	5		BEBDMM
CCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000104767484	358416735	/nfs/dbraw/zinc/41/67/35/358416735.db2.gz	CJIVXCJWRMCIMP-NSHDSACASA-N	-1	1	247.254	2.344	20	5		BEBDMM
O=C(Nc1ccccc1F)c1ccc([N+](=O)[O-])[n-]1	ZINC000335935327	134012136	/nfs/dbraw/zinc/01/21/36/134012136.db2.gz	UMRJXQFOASUZLI-UHFFFAOYSA-N	-1	1	249.201	2.314	20	5		BEBDMM
CC[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000780071450	585772175	/nfs/dbraw/zinc/77/21/75/585772175.db2.gz	HRIFGWIPLKGIAI-SSDOTTSWSA-N	-1	1	239.227	2.256	20	5		BEBDMM
CO[C@H](C)COc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229749707	976979328	/nfs/dbraw/zinc/97/93/28/976979328.db2.gz	HALATKILUWEQBJ-MRVPVSSYSA-N	-1	1	241.243	2.023	20	5		BEBDMM
O=[N+]([O-])c1ccccc1[N-]c1ncccn1	ZINC000034372112	1167570341	/nfs/dbraw/zinc/57/03/41/1167570341.db2.gz	WQLMVPGRYHCSSY-UHFFFAOYSA-N	-1	1	216.200	2.128	20	5		BEBDMM
O=c1cc[n-]c(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1[N+](=O)[O-]	ZINC001225666724	962586463	/nfs/dbraw/zinc/58/64/63/962586463.db2.gz	LLSYKOWCAWXXQS-XKSSXDPKSA-N	-1	1	248.238	2.039	20	5		BEBDMM
O=[N+]([O-])c1ccc([N-]c2ncc(F)s2)cn1	ZINC001203560231	966690384	/nfs/dbraw/zinc/69/03/84/966690384.db2.gz	JFWRJZBVINCVSY-UHFFFAOYSA-N	-1	1	240.219	2.329	20	5		BEBDMM
O=[N+]([O-])c1cc(Nc2cccnc2)ccc1[O-]	ZINC001210392649	969881384	/nfs/dbraw/zinc/88/13/84/969881384.db2.gz	JWSCLNYOACKUJG-UHFFFAOYSA-N	-1	1	231.211	2.439	20	5		BEBDMM
Cc1nccnc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210393094	969881660	/nfs/dbraw/zinc/88/16/60/969881660.db2.gz	NRGPGUGEDRUYRF-UHFFFAOYSA-N	-1	1	246.226	2.142	20	5		BEBDMM
O=c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c[nH]1	ZINC001210393366	969882248	/nfs/dbraw/zinc/88/22/48/969882248.db2.gz	QZPWHOSEGFDMCC-UHFFFAOYSA-N	-1	1	247.210	2.145	20	5		BEBDMM
Cc1nocc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210393487	969882568	/nfs/dbraw/zinc/88/25/68/969882568.db2.gz	BTAYSSMIMTZUDQ-UHFFFAOYSA-N	-1	1	235.199	2.340	20	5		BEBDMM
CCn1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC001210393658	969882645	/nfs/dbraw/zinc/88/26/45/969882645.db2.gz	XKDDWCGVGGIZJU-UHFFFAOYSA-N	-1	1	248.242	2.260	20	5		BEBDMM
CC(C)[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-]	ZINC001225664127	974632320	/nfs/dbraw/zinc/63/23/20/974632320.db2.gz	JYGGEEGFSCFKOR-SSDOTTSWSA-N	-1	1	226.232	2.119	20	5		BEBDMM
CO[C@@H](C)CCOc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395740	976859276	/nfs/dbraw/zinc/85/92/76/976859276.db2.gz	KSBFQUBWLNJHLZ-QMMMGPOBSA-N	-1	1	241.243	2.104	20	5		BEBDMM
Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)C2CC2)n1	ZINC001231259630	977547944	/nfs/dbraw/zinc/54/79/44/977547944.db2.gz	OVVIEISHFDGNPO-SSDOTTSWSA-N	-1	1	238.243	2.181	20	5		BEBDMM
Cc1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)o1	ZINC001199802472	983020519	/nfs/dbraw/zinc/02/05/19/983020519.db2.gz	QVNBPBXUTNXXEW-UHFFFAOYSA-N	-1	1	235.199	2.340	20	5		BEBDMM
O=[N+]([O-])c1ccc(-c2nc(C3CCC3)no2)[n-]1	ZINC000612897008	344931200	/nfs/dbraw/zinc/93/12/00/344931200.db2.gz	FIILLMVDDGHCMN-UHFFFAOYSA-N	-1	1	234.215	2.240	20	5		BEBDMM
CCc1c(C)[n-]n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000103316165	387391375	/nfs/dbraw/zinc/39/13/75/387391375.db2.gz	GGRQHYCEYVVHDG-LLVKDONJSA-N	-1	1	247.254	2.344	20	5		BEBDMM
C/C=C\COC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000769048968	585548138	/nfs/dbraw/zinc/54/81/38/585548138.db2.gz	OIFYFOZSDSRUIT-IHWYPQMZSA-N	-1	1	237.211	2.033	20	5		BEBDMM
Cc1cc([N-]c2ccc([N+](=O)[O-])nc2)on1	ZINC001203559980	966692929	/nfs/dbraw/zinc/69/29/29/966692929.db2.gz	DIRSIEJQSSXHGG-UHFFFAOYSA-N	-1	1	220.188	2.030	20	5		BEBDMM
O=[N+]([O-])c1cc(Nc2ccon2)ccc1[O-]	ZINC001210393086	969882218	/nfs/dbraw/zinc/88/22/18/969882218.db2.gz	VWINESLTRXQDQU-UHFFFAOYSA-N	-1	1	221.172	2.032	20	5		BEBDMM
Nc1cncc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210393728	969884255	/nfs/dbraw/zinc/88/42/55/969884255.db2.gz	HQRSXJLMIJAQDI-UHFFFAOYSA-N	-1	1	246.226	2.021	20	5		BEBDMM
Cc1cnn(C)c1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210394101	969884305	/nfs/dbraw/zinc/88/43/05/969884305.db2.gz	NZZJSHIBOBPVTG-UHFFFAOYSA-N	-1	1	248.242	2.086	20	5		BEBDMM
CCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[n-]1	ZINC000100861932	343317935	/nfs/dbraw/zinc/31/79/35/343317935.db2.gz	GBXWDVBWJHGOOO-UHFFFAOYSA-N	-1	1	233.227	2.098	20	5		BEBDMM
CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CC1	ZINC000338925591	383865685	/nfs/dbraw/zinc/86/56/85/383865685.db2.gz	BCNSDVYPKWUOPS-UHFFFAOYSA-N	-1	1	236.271	2.142	20	5		BEBDMM
CC(C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1	ZINC000545558989	325228386	/nfs/dbraw/zinc/22/83/86/325228386.db2.gz	PZUKWBKJFZIINL-UHFFFAOYSA-N	-1	1	222.204	2.096	20	5		BEBDMM
Cc1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC001210393014	969881487	/nfs/dbraw/zinc/88/14/87/969881487.db2.gz	TYEQNVCKDBMRFO-UHFFFAOYSA-N	-1	1	246.226	2.142	20	5		BEBDMM
CC(C)[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-]	ZINC001225666516	974634376	/nfs/dbraw/zinc/63/43/76/974634376.db2.gz	JYGGEEGFSCFKOR-ZETCQYMHSA-N	-1	1	226.232	2.119	20	5		BEBDMM
C[C@H]1CC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1	ZINC001225665971	974635377	/nfs/dbraw/zinc/63/53/77/974635377.db2.gz	DVBWUANJSYEKCS-YUMQZZPRSA-N	-1	1	238.243	2.263	20	5		BEBDMM
CCC(CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-]	ZINC001225667975	974635954	/nfs/dbraw/zinc/63/59/54/974635954.db2.gz	XMCDRWPBAMKTBM-UHFFFAOYSA-N	-1	1	226.232	2.263	20	5		BEBDMM
Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2C=CCC2)n1	ZINC001231264078	977549682	/nfs/dbraw/zinc/54/96/82/977549682.db2.gz	OKPSKNQFIPSGFR-QMMMGPOBSA-N	-1	1	236.227	2.101	20	5		BEBDMM
Cc1coc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1	ZINC001199802833	983021027	/nfs/dbraw/zinc/02/10/27/983021027.db2.gz	ZTLKCUXEIHFLQD-UHFFFAOYSA-N	-1	1	235.199	2.340	20	5		BEBDMM
O=[N+]([O-])c1cc([O-])cc(Nc2ncco2)c1	ZINC001199801460	983022257	/nfs/dbraw/zinc/02/22/57/983022257.db2.gz	FASOCXUZLFKVHU-UHFFFAOYSA-N	-1	1	221.172	2.032	20	5		BEBDMM
Cc1n[nH]cc1[N-]c1sccc1[N+](=O)[O-]	ZINC000611412582	359362546	/nfs/dbraw/zinc/36/25/46/359362546.db2.gz	WODNIRMJGOKQRE-UHFFFAOYSA-N	-1	1	224.245	2.431	20	5		BEBDMM
CC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CC1	ZINC000351176517	371611362	/nfs/dbraw/zinc/61/13/62/371611362.db2.gz	QINTYAYYLFPMQS-UHFFFAOYSA-N	-1	1	234.215	2.024	20	5		BEBDMM
CCn1nccc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210393255	969881432	/nfs/dbraw/zinc/88/14/32/969881432.db2.gz	WRJVYFXTLKNIMF-UHFFFAOYSA-N	-1	1	248.242	2.260	20	5		BEBDMM
CCn1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210396254	969884128	/nfs/dbraw/zinc/88/41/28/969884128.db2.gz	PJYWUMVZADTHBA-UHFFFAOYSA-N	-1	1	248.242	2.260	20	5		BEBDMM
Cc1nnc([N-]c2ccc(F)c([N+](=O)[O-])c2)o1	ZINC001211188773	970168177	/nfs/dbraw/zinc/16/81/77/970168177.db2.gz	OWKDOXIFFGHEOA-UHFFFAOYSA-N	-1	1	238.178	2.169	20	5		BEBDMM
Cc1nnc([N-]c2ccc(C)c([N+](=O)[O-])c2)o1	ZINC001213660100	970371349	/nfs/dbraw/zinc/37/13/49/970371349.db2.gz	QVRPHHAEEKZZNN-UHFFFAOYSA-N	-1	1	234.215	2.338	20	5		BEBDMM
O=c1cc[n-]c(OC2CCCC2)c1[N+](=O)[O-]	ZINC001225667384	974634778	/nfs/dbraw/zinc/63/47/78/974634778.db2.gz	RUDRYYIUFIXCBY-UHFFFAOYSA-N	-1	1	224.216	2.017	20	5		BEBDMM
CC[C@@H](COC)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395760	976857229	/nfs/dbraw/zinc/85/72/29/976857229.db2.gz	LFDDEPWQIRNXRO-VIFPVBQESA-N	-1	1	241.243	2.104	20	5		BEBDMM
Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)C(C)C)n1	ZINC001231261208	977548701	/nfs/dbraw/zinc/54/87/01/977548701.db2.gz	ZIWUQBDBBOPTIH-MRVPVSSYSA-N	-1	1	240.259	2.427	20	5		BEBDMM
O=[N+]([O-])c1ccc(-c2nc(-c3ccco3)no2)[n-]1	ZINC000340657213	384523886	/nfs/dbraw/zinc/52/38/86/384523886.db2.gz	OCKMMNQRCCBFFO-UHFFFAOYSA-N	-1	1	246.182	2.233	20	5		BEBDMM
Cn1cc([N-]c2sccc2[N+](=O)[O-])cn1	ZINC000301932314	388714650	/nfs/dbraw/zinc/71/46/50/388714650.db2.gz	MLZSKONJBVVHOI-UHFFFAOYSA-N	-1	1	224.245	2.133	20	5		BEBDMM
CC[C@H](C)CON=c1[n-]cccc1[N+](=O)[O-]	ZINC000291848069	171291418	/nfs/dbraw/zinc/29/14/18/171291418.db2.gz	MGGBXWCLGCBTPY-QMMMGPOBSA-N	-1	1	225.248	2.379	20	5		BEBDMM
CCc1nn(C)cc1[N-]c1ncccc1[N+](=O)[O-]	ZINC000091026260	172043790	/nfs/dbraw/zinc/04/37/90/172043790.db2.gz	CTOGHIJBCDXDNG-UHFFFAOYSA-N	-1	1	247.258	2.029	20	5		BEBDMM
CC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229397268	976857367	/nfs/dbraw/zinc/85/73/67/976857367.db2.gz	FXWIDOHKECPHJY-ZETCQYMHSA-N	-1	1	211.217	2.478	20	5		BEBDMM
O=c1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc[nH]1	ZINC001210393616	969881902	/nfs/dbraw/zinc/88/19/02/969881902.db2.gz	WLKBKQJEDARBTG-UHFFFAOYSA-N	-1	1	247.210	2.145	20	5		BEBDMM
O=[N+]([O-])c1cc(Nc2cncc(O)c2)ccc1[O-]	ZINC001210392463	969882506	/nfs/dbraw/zinc/88/25/06/969882506.db2.gz	DPKUCKUMXINQOD-UHFFFAOYSA-N	-1	1	247.210	2.145	20	5		BEBDMM
Cc1ccnnc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210396218	969884531	/nfs/dbraw/zinc/88/45/31/969884531.db2.gz	NYHOSTSXKZDXQI-UHFFFAOYSA-N	-1	1	246.226	2.142	20	5		BEBDMM
C[C@H]1CCC[C@@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-]	ZINC001225663183	974631198	/nfs/dbraw/zinc/63/11/98/974631198.db2.gz	ZVAURGSWFDJHKV-CBAPKCEASA-N	-1	1	238.243	2.263	20	5		BEBDMM
Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)C(C)C)n1	ZINC001231261212	977550078	/nfs/dbraw/zinc/55/00/78/977550078.db2.gz	ZIWUQBDBBOPTIH-QMMMGPOBSA-N	-1	1	240.259	2.427	20	5		BEBDMM
O=C(Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000334220860	343838663	/nfs/dbraw/zinc/83/86/63/343838663.db2.gz	VXZZDLIFWVFFRA-UHFFFAOYSA-N	-1	1	249.201	2.314	20	5		BEBDMM
CCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[n-]1	ZINC000102918541	357948429	/nfs/dbraw/zinc/94/84/29/357948429.db2.gz	QCRAXPYPLCZRKB-UHFFFAOYSA-N	-1	1	247.254	2.488	20	5		BEBDMM
Cc1cc[n-]c(=NOCC(C)C)c1[N+](=O)[O-]	ZINC000276293780	388740153	/nfs/dbraw/zinc/74/01/53/388740153.db2.gz	YYLUCOSLPKJMIN-UHFFFAOYSA-N	-1	1	225.248	2.298	20	5		BEBDMM
C[C@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1	ZINC000545058266	325173641	/nfs/dbraw/zinc/17/36/41/325173641.db2.gz	VWCOVFKNMVRGQP-WDSKDSINSA-N	-1	1	234.215	2.096	20	5		BEBDMM
C/C=C/COC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000769048970	585548231	/nfs/dbraw/zinc/54/82/31/585548231.db2.gz	OIFYFOZSDSRUIT-NSCUHMNNSA-N	-1	1	237.211	2.033	20	5		BEBDMM
O=[N+]([O-])c1ccccc1[N-]c1ccon1	ZINC001206139962	974108115	/nfs/dbraw/zinc/10/81/15/974108115.db2.gz	COOGAUIYNGUFON-UHFFFAOYSA-N	-1	1	205.173	2.326	20	5		BEBDMM
O=[N+]([O-])c1cccc([N-]c2ncco2)c1F	ZINC001210378670	969880893	/nfs/dbraw/zinc/88/08/93/969880893.db2.gz	MMKDPTIEPXIEGL-UHFFFAOYSA-N	-1	1	223.163	2.466	20	5		BEBDMM
O=c1[nH]cccc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210392657	969881581	/nfs/dbraw/zinc/88/15/81/969881581.db2.gz	GMTPUJALFQDFJP-UHFFFAOYSA-N	-1	1	247.210	2.145	20	5		BEBDMM
O=[N+]([O-])c1cc(Nc2cnoc2)ccc1[O-]	ZINC001210392655	969882478	/nfs/dbraw/zinc/88/24/78/969882478.db2.gz	GCMZDLPBZNRNKC-UHFFFAOYSA-N	-1	1	221.172	2.032	20	5		BEBDMM
O=c1cc[n-]c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1[N+](=O)[O-]	ZINC001225666723	974633939	/nfs/dbraw/zinc/63/39/39/974633939.db2.gz	LLSYKOWCAWXXQS-QXFUBDJGSA-N	-1	1	248.238	2.039	20	5		BEBDMM
C[C@H]1CC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1	ZINC001225665967	974634601	/nfs/dbraw/zinc/63/46/01/974634601.db2.gz	DVBWUANJSYEKCS-JGVFFNPUSA-N	-1	1	238.243	2.263	20	5		BEBDMM
Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)C2CC2)n1	ZINC001231259632	977548945	/nfs/dbraw/zinc/54/89/45/977548945.db2.gz	OVVIEISHFDGNPO-ZETCQYMHSA-N	-1	1	238.243	2.181	20	5		BEBDMM
Cc1cc([O-])c([N+](=O)[O-])c(OC2CCCC2)n1	ZINC001231260646	977550156	/nfs/dbraw/zinc/55/01/56/977550156.db2.gz	UZULJUWOTDCLFQ-UHFFFAOYSA-N	-1	1	238.243	2.325	20	5		BEBDMM
O=[N+]([O-])c1ccc([O-])cc1CN1C2CCC1CC2	ZINC000581084139	367260757	/nfs/dbraw/zinc/26/07/57/367260757.db2.gz	CIFHEEADSPAQEE-UHFFFAOYSA-N	-1	1	248.282	2.427	20	5		BEBDMM
CCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000100862714	384657104	/nfs/dbraw/zinc/65/71/04/384657104.db2.gz	WEGPFWIABHFPOM-UHFFFAOYSA-N	-1	1	247.254	2.488	20	5		BEBDMM
Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000335935303	134012066	/nfs/dbraw/zinc/01/20/66/134012066.db2.gz	MOGFBKAAQSHCON-UHFFFAOYSA-N	-1	1	245.238	2.484	20	5		BEBDMM
O=[N+]([O-])c1ccc([O-])cc1CN1CCCCC1	ZINC000092106824	411181826	/nfs/dbraw/zinc/18/18/26/411181826.db2.gz	NGOPTECSNKZITN-UHFFFAOYSA-N	-1	1	236.271	2.286	20	5		BEBDMM
C[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000330446617	176109028	/nfs/dbraw/zinc/10/90/28/176109028.db2.gz	DYNJMESOIBECMN-SECBINFHSA-N	-1	1	236.271	2.285	20	5		BEBDMM
C[C@@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1	ZINC000545058264	325174143	/nfs/dbraw/zinc/17/41/43/325174143.db2.gz	VWCOVFKNMVRGQP-PHDIDXHHSA-N	-1	1	234.215	2.096	20	5		BEBDMM