smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=N	ZINC000004637312	210234795	/nfs/dbraw/zinc/23/47/95/210234795.db2.gz	HKBPBEDHZNUEDH-UHFFFAOYSA-N	0	0	328.371	4.626	50	5		EJBARN
O=C(Nc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000004583049	210226829	/nfs/dbraw/zinc/22/68/29/210226829.db2.gz	JYSLAILXIQDBOY-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
C[C@H]1CCC(C)(C)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000004299898	210163971	/nfs/dbraw/zinc/16/39/71/210163971.db2.gz	VMKKQHDDHAONSJ-NSHDSACASA-N	0	0	330.350	4.876	50	5		EJBARN
CCCCOc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000004278952	210160094	/nfs/dbraw/zinc/16/00/94/210160094.db2.gz	SYAUOPDOXOTFET-UHFFFAOYSA-N	0	0	348.786	4.679	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1CCc1ccccc1	ZINC000004036585	210105772	/nfs/dbraw/zinc/10/57/72/210105772.db2.gz	XBCSQQJNMIWMOK-UHFFFAOYSA-N	0	0	346.386	4.632	50	5		EJBARN
CC(C)c1cc2sc(NC(=O)C3CCCCC3)nc2c([N+](=O)[O-])c1	ZINC000003902693	210089185	/nfs/dbraw/zinc/08/91/85/210089185.db2.gz	JUQFEWMLHPGAPP-UHFFFAOYSA-N	0	0	347.440	4.847	50	5		EJBARN
O=[N+]([O-])c1ccc2nonc2c1Nc1ccccc1-c1ccccc1	ZINC000003904274	210088962	/nfs/dbraw/zinc/08/89/62/210088962.db2.gz	NPQAXENGNNAVCL-UHFFFAOYSA-N	0	0	332.319	4.542	50	5		EJBARN
Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-]	ZINC000003900135	210088107	/nfs/dbraw/zinc/08/81/07/210088107.db2.gz	WPBWMKBNUGPUGX-UHFFFAOYSA-N	0	0	344.754	4.864	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccccc2)c1	ZINC000003898676	210087165	/nfs/dbraw/zinc/08/71/65/210087165.db2.gz	NZSNNAVBTXFTIR-UHFFFAOYSA-N	0	0	334.331	4.639	50	5		EJBARN
Cc1cc(OCc2ccccc2F)cc2oc(=O)c3ccccc3c12	ZINC000003892455	210085205	/nfs/dbraw/zinc/08/52/05/210085205.db2.gz	YFPRYAWDXRCPPW-UHFFFAOYSA-N	0	0	334.346	4.973	50	5		EJBARN
O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])cc1	ZINC000003661686	210071482	/nfs/dbraw/zinc/07/14/82/210071482.db2.gz	VLGQQTAYXYQRGV-UHFFFAOYSA-N	0	0	332.315	4.747	50	5		EJBARN
O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000002845473	209926267	/nfs/dbraw/zinc/92/62/67/209926267.db2.gz	ODPOEYNCYHEFTI-UHFFFAOYSA-N	0	0	342.207	4.711	50	5		EJBARN
CC(C)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000000469673	209621029	/nfs/dbraw/zinc/62/10/29/209621029.db2.gz	NIOCQJDLJPUJRQ-UHFFFAOYSA-N	0	0	344.436	4.590	50	5		EJBARN
CCOc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000000463961	209616990	/nfs/dbraw/zinc/61/69/90/209616990.db2.gz	PLVSEQLRCZTDMJ-UHFFFAOYSA-N	0	0	327.258	4.805	50	5		EJBARN
C/C=C\c1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)c(OC)c1	ZINC000035684386	213046376	/nfs/dbraw/zinc/04/63/76/213046376.db2.gz	ABQUCVFLYWKMDJ-ARJAWSKDSA-N	0	0	336.347	4.977	50	5		EJBARN
O=C(Nc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000103079	209421303	/nfs/dbraw/zinc/42/13/03/209421303.db2.gz	ZHXUFADYXSAMJN-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl	ZINC000000258875	201453655	/nfs/dbraw/zinc/45/36/55/201453655.db2.gz	FRNOFGROKLFPGK-QPJJXVBHSA-N	0	0	337.162	4.554	50	5		EJBARN
Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1	ZINC000000558747	201488124	/nfs/dbraw/zinc/48/81/24/201488124.db2.gz	RJXQQMBCVNVOIP-UHFFFAOYSA-N	0	0	327.362	4.925	50	5		EJBARN
CC(C)Sc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1	ZINC000044085346	204292918	/nfs/dbraw/zinc/29/29/18/204292918.db2.gz	JFJAJPWYLLYOKC-UHFFFAOYSA-N	0	0	339.420	4.948	50	5		EJBARN
Cc1noc(/C=C\c2ccccc2OCc2ccccc2)c1[N+](=O)[O-]	ZINC000009667890	211112050	/nfs/dbraw/zinc/11/20/50/211112050.db2.gz	KMGQAEVVXYSZDW-QXMHVHEDSA-N	0	0	336.347	4.641	50	5		EJBARN
O=[N+]([O-])c1cc(Cl)c(Br)cc1OCc1ccccc1	ZINC000095217816	218282458	/nfs/dbraw/zinc/28/24/58/218282458.db2.gz	RFUOKCSSXNEZBW-UHFFFAOYSA-N	0	0	342.576	4.590	50	5		EJBARN
O=[N+]([O-])c1ccc(N[C@@H]2CCc3cc(Cl)ccc32)c2ncccc12	ZINC000095369489	218302616	/nfs/dbraw/zinc/30/26/16/218302616.db2.gz	QYCOICOFADDKBS-OAHLLOKOSA-N	0	0	339.782	4.896	50	5		EJBARN
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2[nH]1	ZINC000006657424	210671900	/nfs/dbraw/zinc/67/19/00/210671900.db2.gz	PWCAAKOZVBGCMW-INIZCTEOSA-N	0	0	344.802	4.934	50	5		EJBARN
CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccccc1Cl	ZINC000005997091	210573337	/nfs/dbraw/zinc/57/33/37/210573337.db2.gz	IDWYPWHZBSKXBF-KTKRTIGZSA-N	0	0	333.771	4.565	50	5		EJBARN
O=[N+]([O-])c1cnc(Sc2ccccc2)nc1Sc1ccccc1	ZINC000005684547	210516414	/nfs/dbraw/zinc/51/64/14/210516414.db2.gz	ITVGSQGFKRLSSU-UHFFFAOYSA-N	0	0	341.417	4.687	50	5		EJBARN
CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000005073132	210384603	/nfs/dbraw/zinc/38/46/03/210384603.db2.gz	XIRWJHZTNDFXJH-UHFFFAOYSA-N	0	0	348.786	4.535	50	5		EJBARN
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(Cl)c2)o1	ZINC000005094280	210387815	/nfs/dbraw/zinc/38/78/15/210387815.db2.gz	HZCUZIUZUOOYGM-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccccc1Cl	ZINC000004989827	210351362	/nfs/dbraw/zinc/35/13/62/210351362.db2.gz	PIPNESOUWLYPMC-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
CCC(=O)Oc1cccc2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)nc21	ZINC000004985710	210349380	/nfs/dbraw/zinc/34/93/80/210349380.db2.gz	YNFYRNKKQPJFHV-UXBLZVDNSA-N	0	0	348.358	4.629	50	5		EJBARN
Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1C	ZINC000004904461	210317073	/nfs/dbraw/zinc/31/70/73/210317073.db2.gz	PIENSCJXTOYKKT-UHFFFAOYSA-N	0	0	339.178	4.771	50	5		EJBARN
Cc1cc2occ(/C=C\c3ccc([N+](=O)[O-])cc3)c(=O)c2cc1Cl	ZINC000097475234	219028621	/nfs/dbraw/zinc/02/86/21/219028621.db2.gz	HSOHISJJKHHIKP-DJWKRKHSSA-N	0	0	341.750	4.833	50	5		EJBARN
Cc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccc(Cl)cc1Cl	ZINC000004795406	210280471	/nfs/dbraw/zinc/28/04/71/210280471.db2.gz	HCWHKMOTOSWECP-UHFFFAOYSA-N	0	0	341.150	4.821	50	5		EJBARN
Cc1cc(OC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc(C)c1Cl	ZINC000004794275	210279046	/nfs/dbraw/zinc/27/90/46/210279046.db2.gz	WYWKITFWKOBMQK-UHFFFAOYSA-N	0	0	338.722	4.615	50	5		EJBARN
Cc1ccc(C)c(C(=O)Cc2cc3c(ccc4ccccc43)oc2=O)c1	ZINC000000304813	563277344	/nfs/dbraw/zinc/27/73/44/563277344.db2.gz	DHUHSYUOCSPCLM-UHFFFAOYSA-N	0	0	342.394	4.988	50	5	biogenic	EJBARN
Cc1c(OCC(=O)c2ccccc2)ccc2c3ccccc3c(=O)oc12	ZINC000000373997	563298016	/nfs/dbraw/zinc/29/80/16/563298016.db2.gz	XHDUXUNTSIDPMR-UHFFFAOYSA-N	0	0	344.366	4.516	50	5		EJBARN
O=C(Nc1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2)c1ccco1	ZINC000000028990	563962334	/nfs/dbraw/zinc/96/23/34/563962334.db2.gz	KSVOQAWAXRBCNO-UHFFFAOYSA-N	0	0	348.314	4.716	50	5	biogenic	EJBARN
O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1	ZINC000000039018	563967503	/nfs/dbraw/zinc/96/75/03/563967503.db2.gz	KPVJAOXKKLKLGL-UHFFFAOYSA-N	0	0	343.342	4.979	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1CCc1ccccc1	ZINC000000129757	563986754	/nfs/dbraw/zinc/98/67/54/563986754.db2.gz	FFNFLOSMHCFXME-UHFFFAOYSA-N	0	0	346.386	4.632	50	5		EJBARN
O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)nc2ccccc21	ZINC000000126624	563986785	/nfs/dbraw/zinc/98/67/85/563986785.db2.gz	FBKJBMYRWAFHEQ-UHFFFAOYSA-N	0	0	327.343	4.872	50	5		EJBARN
Cc1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000140360	563987068	/nfs/dbraw/zinc/98/70/68/563987068.db2.gz	KDLUAJQJUTULEO-UHFFFAOYSA-N	0	0	332.787	4.932	50	5		EJBARN
Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1	ZINC000000145253	563987075	/nfs/dbraw/zinc/98/70/75/563987075.db2.gz	KIVGFBNAKHSVPC-UHFFFAOYSA-N	0	0	339.178	4.771	50	5		EJBARN
CC(C)(C)c1ccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000000143358	563987162	/nfs/dbraw/zinc/98/71/62/563987162.db2.gz	DUMBBJIQSIKIIL-KPKJPENVSA-N	0	0	325.364	4.511	50	5		EJBARN
O=[N+]([O-])c1ccc(Cl)c(-c2nnc(-c3cccc(Cl)c3)o2)c1	ZINC000000153152	563987412	/nfs/dbraw/zinc/98/74/12/563987412.db2.gz	OPPMRCCPCADVOV-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
Cc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O	ZINC000000193168	563988194	/nfs/dbraw/zinc/98/81/94/563988194.db2.gz	JMPLZEPBXJXFIB-UHFFFAOYSA-N	0	0	329.355	4.507	50	5		EJBARN
Cc1ccn2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc2c1	ZINC000000193712	563988204	/nfs/dbraw/zinc/98/82/04/563988204.db2.gz	ZARVMZBLPBQDTE-UHFFFAOYSA-N	0	0	326.355	4.569	50	5		EJBARN
CCCc1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccn1	ZINC000000210865	563988474	/nfs/dbraw/zinc/98/84/74/563988474.db2.gz	HAQGTSPXFXIQER-UHFFFAOYSA-N	0	0	325.393	4.733	50	5		EJBARN
CC(C)c1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1	ZINC000000211407	563988606	/nfs/dbraw/zinc/98/86/06/563988606.db2.gz	LFGFJHYYQCTYGA-UHFFFAOYSA-N	0	0	341.410	4.628	50	5		EJBARN
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000000253593	563989642	/nfs/dbraw/zinc/98/96/42/563989642.db2.gz	OHXUHLXCFRBGJA-UHFFFAOYSA-N	0	0	344.129	4.685	50	5		EJBARN
O=C(Oc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000299475	563990347	/nfs/dbraw/zinc/99/03/47/563990347.db2.gz	MYZNBZWQEAREQC-UHFFFAOYSA-N	0	0	346.553	4.774	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1	ZINC000000367995	563991757	/nfs/dbraw/zinc/99/17/57/563991757.db2.gz	TXYRGOINNCORTB-UHFFFAOYSA-N	0	0	347.783	4.591	50	5		EJBARN
O=[N+]([O-])c1ccc(Cl)c(/C=C/c2ccc3cccc(O)c3n2)c1	ZINC000004954120	563993215	/nfs/dbraw/zinc/99/32/15/563993215.db2.gz	WRFZCPCOOZKXHQ-FNORWQNLSA-N	0	0	326.739	4.672	50	5		EJBARN
O=C(Cn1c2ccccc2c2nc3ccccc3nc21)c1ccccc1	ZINC000000429904	563999104	/nfs/dbraw/zinc/99/91/04/563999104.db2.gz	BOKCFHYMYSCGJA-UHFFFAOYSA-N	0	0	337.382	4.621	50	5		EJBARN
C[C@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000024270408	563999501	/nfs/dbraw/zinc/99/95/01/563999501.db2.gz	AJQFEBNKQCMOEK-NSHDSACASA-N	0	0	343.383	4.977	50	5		EJBARN
CCOc1ccc(C(=O)Nc2ccccc2[C@@H](C)CC)cc1[N+](=O)[O-]	ZINC000000463737	564000779	/nfs/dbraw/zinc/00/07/79/564000779.db2.gz	ZBIDJBQUDBCCTQ-ZDUSSCGKSA-N	0	0	342.395	4.759	50	5		EJBARN
Cc1ccc(-c2nc(COc3ccccc3[N+](=O)[O-])cs2)cc1	ZINC000005216485	564001146	/nfs/dbraw/zinc/00/11/46/564001146.db2.gz	OTSPSAXRMWMGCY-UHFFFAOYSA-N	0	0	326.377	4.606	50	5		EJBARN
Cc1cc2ccccn2c1C(=O)c1cccc2nc3ccccc3nc21	ZINC000005258051	564001559	/nfs/dbraw/zinc/00/15/59/564001559.db2.gz	QZBLONFAXJMMAN-UHFFFAOYSA-N	0	0	337.382	4.575	50	5		EJBARN
C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2ccnc2)cc1	ZINC000005265162	564001689	/nfs/dbraw/zinc/00/16/89/564001689.db2.gz	YSDXBEALJYWWDX-LBPRGKRZSA-N	0	0	342.786	4.607	50	5		EJBARN
O=[N+]([O-])c1ccc2c(c1)c1c(ccnc1Cl)n2Cc1ccccc1	ZINC000003196302	564004158	/nfs/dbraw/zinc/00/41/58/564004158.db2.gz	PGJCXZPGWCDESR-UHFFFAOYSA-N	0	0	337.766	4.799	50	5		EJBARN
O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	ZINC000005670920	564017638	/nfs/dbraw/zinc/01/76/38/564017638.db2.gz	NGVSXJFWLUXJME-UHFFFAOYSA-N	0	0	328.111	4.553	50	5		EJBARN
O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3)cc2)cc1	ZINC000000617835	564031826	/nfs/dbraw/zinc/03/18/26/564031826.db2.gz	XMQWHVOXNYVVEE-UHFFFAOYSA-N	0	0	334.375	4.786	50	5		EJBARN
Cc1c(NC(=O)c2cc(Cl)sc2Cl)cccc1[N+](=O)[O-]	ZINC000025012519	564051050	/nfs/dbraw/zinc/05/10/50/564051050.db2.gz	RVVKWOSSXWVUOC-UHFFFAOYSA-N	0	0	331.180	4.524	50	5		EJBARN
CC(C)(C)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000000971223	564053769	/nfs/dbraw/zinc/05/37/69/564053769.db2.gz	XETDGYHHXKDMIM-UHFFFAOYSA-N	0	0	333.771	4.765	50	5		EJBARN
Cc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-]	ZINC000005938435	564057114	/nfs/dbraw/zinc/05/71/14/564057114.db2.gz	MOKJCYKBBWUIKR-UHFFFAOYSA-N	0	0	346.386	4.746	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2nc3ccccc3c(NC3CCCCC3)n2)c1	ZINC000001316659	564063103	/nfs/dbraw/zinc/06/31/03/564063103.db2.gz	NWEPEEUHKIQIGL-UHFFFAOYSA-N	0	0	348.406	4.950	50	5		EJBARN
O=[N+]([O-])c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1	ZINC000015454010	564063242	/nfs/dbraw/zinc/06/32/42/564063242.db2.gz	ROKGCJGJRAGJNT-UHFFFAOYSA-N	0	0	327.343	4.872	50	5		EJBARN
CC(=O)Nc1ccc2nc3cccc4c3c(c2c1)-c1ccccc1C4=O	ZINC000075260498	564081291	/nfs/dbraw/zinc/08/12/91/564081291.db2.gz	XBTYOMYZWHLHRP-UHFFFAOYSA-N	0	0	338.366	4.558	50	5		EJBARN
CC1(C)CC(=O)c2c(nc3ccc([N+](=O)[O-])cc3c2-c2ccccc2)C1	ZINC000006590576	564092472	/nfs/dbraw/zinc/09/24/72/564092472.db2.gz	JYPYYKNQRVHZPV-UHFFFAOYSA-N	0	0	346.386	4.965	50	5		EJBARN
CCc1nn2c(nccc2-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	ZINC000006757829	564097128	/nfs/dbraw/zinc/09/71/28/564097128.db2.gz	YCZHFUFBBKCPQI-UHFFFAOYSA-N	0	0	344.374	4.534	50	5		EJBARN
O=[N+]([O-])c1ccc(N[C@@H]2CCSc3ccccc32)c2ccncc21	ZINC000006820080	564098806	/nfs/dbraw/zinc/09/88/06/564098806.db2.gz	XLYFLNZEILAIER-MRXNPFEDSA-N	0	0	337.404	4.792	50	5		EJBARN
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc2ccccc2c1	ZINC000007067932	564104190	/nfs/dbraw/zinc/10/41/90/564104190.db2.gz	DIJIAVTWJMGEFM-OAHLLOKOSA-N	0	0	348.402	4.510	50	5		EJBARN
C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1csc(C2CC2)n1	ZINC000170626283	564110507	/nfs/dbraw/zinc/11/05/07/564110507.db2.gz	YBKLORNQOBCDBG-JTQLQIEISA-N	0	0	340.408	4.650	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1c(Cl)cccc1Cl	ZINC000002156306	564119529	/nfs/dbraw/zinc/11/95/29/564119529.db2.gz	FUCBBYGECATBEZ-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
C[C@@H](OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)c1ccccc1	ZINC000002166273	564120182	/nfs/dbraw/zinc/12/01/82/564120182.db2.gz	WVQFLVUVBIPBSO-NWDGAFQWSA-N	0	0	348.380	4.719	50	5		EJBARN
O=[N+]([O-])c1ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)s1	ZINC000065946549	564122427	/nfs/dbraw/zinc/12/24/27/564122427.db2.gz	UQKCFNSYYIPYLV-UHFFFAOYSA-N	0	0	327.409	4.522	50	5		EJBARN
CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cccc([N+](=O)[O-])c4O[C@]312	ZINC000002275632	564125588	/nfs/dbraw/zinc/12/55/88/564125588.db2.gz	AOQKMJVGELKIIG-RTWAWAEBSA-N	0	0	348.402	4.659	50	5	aggregator	EJBARN
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)cc2-c2ccncc2)cc1	ZINC000003130214	564128918	/nfs/dbraw/zinc/12/89/18/564128918.db2.gz	GRVOHXPGCKDOFA-UHFFFAOYSA-N	0	0	342.358	4.510	50	5		EJBARN
CCN1N=C(c2ccc(C)cc2)SC=C1c1cccc([N+](=O)[O-])c1	ZINC000019898885	564129063	/nfs/dbraw/zinc/12/90/63/564129063.db2.gz	VXUULVAAOKBRBD-UHFFFAOYSA-N	0	0	339.420	4.632	50	5		EJBARN
O=c1cc(-c2cc3cc([N+](=O)[O-])ccc3o2)c2cc(Cl)ccc2o1	ZINC000002435783	564135018	/nfs/dbraw/zinc/13/50/18/564135018.db2.gz	NZYVPBRNOHLXGG-UHFFFAOYSA-N	0	0	341.706	4.768	50	5		EJBARN
CCOc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Br	ZINC000082046487	564135521	/nfs/dbraw/zinc/13/55/21/564135521.db2.gz	IOPHYMPBKOVGFY-UHFFFAOYSA-N	0	0	343.221	4.501	50	5		EJBARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc2cccnc21	ZINC000002543553	564150608	/nfs/dbraw/zinc/15/06/08/564150608.db2.gz	KXGWJRSSEBLGPV-UHFFFAOYSA-N	0	0	334.253	4.954	50	5		EJBARN
CCCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000002897595	564152945	/nfs/dbraw/zinc/15/29/45/564152945.db2.gz	KLXDDQGHBXWIHF-UHFFFAOYSA-N	0	0	348.786	4.679	50	5		EJBARN
COc1ccc(OCCCCCCOc2ccc([N+](=O)[O-])cc2)cc1	ZINC000002906429	564152967	/nfs/dbraw/zinc/15/29/67/564152967.db2.gz	QXRVVPQKNCSGFF-UHFFFAOYSA-N	0	0	345.395	4.622	50	5		EJBARN
C[C@@H](Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-])c1ccccc1	ZINC000004187864	564161021	/nfs/dbraw/zinc/16/10/21/564161021.db2.gz	RKNWSDFREPEKGV-OAHLLOKOSA-N	0	0	325.412	4.758	50	5		EJBARN
Cc1cc(=O)oc2c(C)c(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12	ZINC000007979277	564161659	/nfs/dbraw/zinc/16/16/59/564161659.db2.gz	ZRQZWPWIFXXOPP-UHFFFAOYSA-N	0	0	345.738	4.764	50	5		EJBARN
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1(C)C	ZINC000008306558	564164142	/nfs/dbraw/zinc/16/41/42/564164142.db2.gz	GEIMOGDGLAYABJ-QAPCUYQASA-N	0	0	338.407	4.925	50	5		EJBARN
O=[N+]([O-])c1c(Oc2ccc(-c3ccccc3)cc2)nc2sccn21	ZINC000008308772	564164166	/nfs/dbraw/zinc/16/41/66/564164166.db2.gz	BTANZRXVEGATQG-UHFFFAOYSA-N	0	0	337.360	4.763	50	5		EJBARN
Cc1c(NC(=O)c2ccccc2SC(C)C)cccc1[N+](=O)[O-]	ZINC000008558532	564165711	/nfs/dbraw/zinc/16/57/11/564165711.db2.gz	RCWNEOHYXWAHSF-UHFFFAOYSA-N	0	0	330.409	4.656	50	5		EJBARN
C[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000069420473	564169400	/nfs/dbraw/zinc/16/94/00/564169400.db2.gz	KXPJBAMVDACARH-MRVPVSSYSA-N	0	0	335.335	4.603	50	5		EJBARN
O=[N+]([O-])c1ccc(Cl)cc1CN1CC=C(c2ccc(F)cc2)CC1	ZINC000055291876	214302964	/nfs/dbraw/zinc/30/29/64/214302964.db2.gz	YWAJVEJMNAILGF-UHFFFAOYSA-N	0	0	346.789	4.677	50	5		EJBARN
O=[N+]([O-])c1ccc(N2CCCC2)cc1NC12CC3CC(CC(C3)C1)C2	ZINC000004663133	210240126	/nfs/dbraw/zinc/24/01/26/210240126.db2.gz	VEJAOIVWWHKONM-UHFFFAOYSA-N	0	0	341.455	4.576	50	5		EJBARN
Cc1cccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000004542782	210217495	/nfs/dbraw/zinc/21/74/95/210217495.db2.gz	VEHXHXFLQIERPJ-PKNBQFBNSA-N	0	0	348.358	4.815	50	5		EJBARN
Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	ZINC000004367525	210180423	/nfs/dbraw/zinc/18/04/23/210180423.db2.gz	ZBHYTQJHUZIRHB-UHFFFAOYSA-N	0	0	340.166	4.854	50	5		EJBARN
O=c1[nH]c2nc(-c3cccs3)cc(C(F)(F)F)c2c2ccccc12	ZINC000012562849	201854377	/nfs/dbraw/zinc/85/43/77/201854377.db2.gz	AMYLUHRJHYOCTA-UHFFFAOYSA-N	0	0	346.333	4.824	50	5		EJBARN
O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000003898824	210087354	/nfs/dbraw/zinc/08/73/54/210087354.db2.gz	UJRZNOKABKPMIK-NRFANRHFSA-N	0	0	343.386	4.951	50	5		EJBARN
CCOc1ccc2[nH]c(Sc3ccc(C)cc3)c([N+](=O)[O-])c2c1	ZINC000003655802	210072008	/nfs/dbraw/zinc/07/20/08/210072008.db2.gz	BALNKLFBBYMBKP-UHFFFAOYSA-N	0	0	328.393	4.934	50	5		EJBARN
C[C@@H]1CCc2c(sc3ncnc(Oc4ccccc4[N+](=O)[O-])c32)C1	ZINC000003397822	210026213	/nfs/dbraw/zinc/02/62/13/210026213.db2.gz	FWKPWDYGXYCVEK-SNVBAGLBSA-N	0	0	341.392	4.517	50	5		EJBARN
Cc1c(C(=O)OCc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-]	ZINC000003309368	210003352	/nfs/dbraw/zinc/00/33/52/210003352.db2.gz	OKGSPJLOSOIWJD-UHFFFAOYSA-N	0	0	340.162	4.567	50	5		EJBARN
O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1	ZINC000003288878	209997810	/nfs/dbraw/zinc/99/78/10/209997810.db2.gz	ZUHUSUMANDMKHD-UHFFFAOYSA-N	0	0	333.299	4.713	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)c(Cl)c1	ZINC000003159905	209972658	/nfs/dbraw/zinc/97/26/58/209972658.db2.gz	OJCPNNLSNDNXLX-UHFFFAOYSA-N	0	0	328.549	4.803	50	5		EJBARN
O=C(Nc1ccccc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl	ZINC000002763993	209905318	/nfs/dbraw/zinc/90/53/18/209905318.db2.gz	WNBWWPFUNFAJHF-UHFFFAOYSA-N	0	0	332.768	4.715	50	5		EJBARN
Cc1ccccc1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000002162633	209826414	/nfs/dbraw/zinc/82/64/14/209826414.db2.gz	CZPOWGOYPZZFHY-UHFFFAOYSA-N	0	0	342.229	4.623	50	5		EJBARN
Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000001094762	209710223	/nfs/dbraw/zinc/71/02/23/209710223.db2.gz	FBGZFORUXOIKMY-HNNXBMFYSA-N	0	0	348.324	4.904	50	5		EJBARN
Cc1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-]	ZINC000000466915	209618231	/nfs/dbraw/zinc/61/82/31/209618231.db2.gz	RUSHERKCPPYBJL-UHFFFAOYSA-N	0	0	340.162	4.567	50	5		EJBARN
CC1=CC[C@@H](C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000000192954	209476161	/nfs/dbraw/zinc/47/61/61/209476161.db2.gz	PABWAFBCJHTSHO-RTBURBONSA-N	0	0	336.391	4.673	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000125235	209436352	/nfs/dbraw/zinc/43/63/52/209436352.db2.gz	BVHYZWAMYFVJFH-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
O=[N+]([O-])c1cccc(Cc2cn3c(-c4ccccc4)cnc3s2)c1	ZINC000000063481	209396298	/nfs/dbraw/zinc/39/62/98/209396298.db2.gz	PLXUGBFDGFEPNM-UHFFFAOYSA-N	0	0	335.388	4.562	50	5		EJBARN
O=c1c2ccc(Cl)c3c(Cl)ccc(c4nc5ccccc5n41)c23	ZINC000000046807	209389691	/nfs/dbraw/zinc/38/96/91/209389691.db2.gz	PVJCTTWJMQVIMN-UHFFFAOYSA-N	0	0	339.181	4.899	50	5		EJBARN
O=[N+]([O-])c1cccnc1N[C@@H](c1ccccc1)c1ccc(Cl)cc1	ZINC000022815736	212326831	/nfs/dbraw/zinc/32/68/31/212326831.db2.gz	PPMBXGUQUPSYME-KRWDZBQOSA-N	0	0	339.782	4.845	50	5		EJBARN
O=[N+]([O-])c1ccc(CSc2nc3cc(F)c(Cl)cc3[nH]2)cc1	ZINC000000166351	201443529	/nfs/dbraw/zinc/44/35/29/201443529.db2.gz	IIXXZSJNEKUZON-UHFFFAOYSA-N	0	0	337.763	4.556	50	5		EJBARN
C[C@@H](NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)C(C)(C)C	ZINC000001056528	201497842	/nfs/dbraw/zinc/49/78/42/201497842.db2.gz	JWUACHIPJWCTHH-MRVPVSSYSA-N	0	0	340.832	4.627	50	5		EJBARN
Cc1ccc(NC(=O)Oc2cc(C)c(C)cc2Cl)c([N+](=O)[O-])c1	ZINC000004799752	201619712	/nfs/dbraw/zinc/61/97/12/201619712.db2.gz	GRHLNMWECZVSLX-UHFFFAOYSA-N	0	0	334.759	4.784	50	5		EJBARN
CC(C)c1ccccc1O[C@@H](C)c1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000076555404	216791102	/nfs/dbraw/zinc/79/11/02/216791102.db2.gz	YGBPOIANZICHSA-LBPRGKRZSA-N	0	0	325.368	4.735	50	5		EJBARN
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1c1nc2ccccc2s1	ZINC000015168727	211805667	/nfs/dbraw/zinc/80/56/67/211805667.db2.gz	OYPDCXIQJNCENU-CQSZACIVSA-N	0	0	343.383	4.685	50	5		EJBARN
O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000353641	206234951	/nfs/dbraw/zinc/23/49/51/206234951.db2.gz	MDCTWISLGRZRRH-UHFFFAOYSA-N	0	0	326.739	4.654	50	5		EJBARN
Cc1ccc(Cl)cc1NC(=O)c1cccc2nc3ccccc3nc21	ZINC000012277013	211334081	/nfs/dbraw/zinc/33/40/81/211334081.db2.gz	SVSJRYFEIFKTDD-UHFFFAOYSA-N	0	0	347.805	4.997	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000006948658	210749655	/nfs/dbraw/zinc/74/96/55/210749655.db2.gz	CAKOBJCBUJVAGX-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000005670601	210513472	/nfs/dbraw/zinc/51/34/72/210513472.db2.gz	CIRUWGVWFACUEW-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
Cc1nc(CSc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1	ZINC000005069410	210382873	/nfs/dbraw/zinc/38/28/73/210382873.db2.gz	WIBAAQOJTKOOOX-UHFFFAOYSA-N	0	0	349.462	4.776	50	5		EJBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl	ZINC000005005313	210358954	/nfs/dbraw/zinc/35/89/54/210358954.db2.gz	XGTZSXJSCLZMGF-FPYGCLRLSA-N	0	0	337.162	4.554	50	5		EJBARN
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000000038839	208555908	/nfs/dbraw/zinc/55/59/08/208555908.db2.gz	SIZATGSLEPGRJF-UHFFFAOYSA-N	0	0	334.331	4.639	50	5		EJBARN
O=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000004840160	210294535	/nfs/dbraw/zinc/29/45/35/210294535.db2.gz	RJZWWUGCRNJRDM-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(F)cc1Cl	ZINC000004795358	210280364	/nfs/dbraw/zinc/28/03/64/210280364.db2.gz	KZIYIQVXZAXKJB-UHFFFAOYSA-N	0	0	345.113	4.652	50	5		EJBARN
Nc1cc(Cl)c(Oc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]	ZINC000004750887	210269900	/nfs/dbraw/zinc/26/99/00/210269900.db2.gz	WRGIZVZQHFVPNV-UHFFFAOYSA-N	0	0	333.558	4.930	50	5		EJBARN
Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)cc1	ZINC000004763207	210274636	/nfs/dbraw/zinc/27/46/36/210274636.db2.gz	LXVQZPAOAAXTQS-UHFFFAOYSA-N	0	0	328.371	4.626	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2ccccc2)cc1	ZINC000004761580	210271808	/nfs/dbraw/zinc/27/18/08/210271808.db2.gz	NVQXCEGPGWMJTJ-UHFFFAOYSA-N	0	0	334.331	4.873	50	5		EJBARN
O=C(c1cccs1)n1c2ccc(F)cc2c2nc3ccccc3nc21	ZINC000000084070	563219732	/nfs/dbraw/zinc/21/97/32/563219732.db2.gz	DBYYEJLQEKMXSU-UHFFFAOYSA-N	0	0	347.374	4.627	50	5		EJBARN
CCCCc1ccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1	ZINC000002979098	563465761	/nfs/dbraw/zinc/46/57/61/563465761.db2.gz	RYPNFDONXXGYCP-UHFFFAOYSA-N	0	0	342.395	4.588	50	5		EJBARN
C[C@H](Sc1nnc(NC(C)(C)C)s1)c1cccc([N+](=O)[O-])c1	ZINC000032841172	563760569	/nfs/dbraw/zinc/76/05/69/563760569.db2.gz	DPBLEZNOHUAWDS-VIFPVBQESA-N	0	0	338.458	4.510	50	5		EJBARN
Cc1cc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)ccc1F	ZINC000028465477	563903126	/nfs/dbraw/zinc/90/31/26/563903126.db2.gz	VYQFRQUSXOCIKL-UHFFFAOYSA-N	0	0	329.356	4.909	50	5		EJBARN
O=[N+]([O-])c1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1Cl	ZINC000004986844	563919000	/nfs/dbraw/zinc/91/90/00/563919000.db2.gz	UWCHZCQASKAIDB-UHFFFAOYSA-N	0	0	346.789	4.677	50	5		EJBARN
Cc1ccc(Cl)cc1NC(=S)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000013840571	563935238	/nfs/dbraw/zinc/93/52/38/563935238.db2.gz	KIVADXUHZPIVDL-UHFFFAOYSA-N	0	0	339.779	4.505	50	5		EJBARN
O=[N+]([O-])c1ccc(SCc2ccco2)c(C2SCCS2)c1	ZINC000000031490	563967562	/nfs/dbraw/zinc/96/75/62/563967562.db2.gz	ZQDDBEZUJQFMTF-UHFFFAOYSA-N	0	0	339.463	4.959	50	5		EJBARN
CCOC(=O)c1c2ccccc2c(Br)c2ccccc21	ZINC000085210577	563973754	/nfs/dbraw/zinc/97/37/54/563973754.db2.gz	CGVWQGPVBMLCSL-UHFFFAOYSA-N	0	0	329.193	4.932	50	5		EJBARN
CC(C)(C)c1ccc(C(=O)Oc2ccc3occ([N+](=O)[O-])c3c2)cc1	ZINC000000109157	563982184	/nfs/dbraw/zinc/98/21/84/563982184.db2.gz	USHJPIOFUFNVRU-UHFFFAOYSA-N	0	0	339.347	4.858	50	5		EJBARN
O=[N+]([O-])c1ccc(Cn2ccnc2-c2ccc(C(F)(F)F)cc2)cc1	ZINC000000120012	563986790	/nfs/dbraw/zinc/98/67/90/563986790.db2.gz	AJWKWHKWIUSWEG-UHFFFAOYSA-N	0	0	347.296	4.525	50	5		EJBARN
Nc1ccccc1S[C@@H](C[N+](=O)[O-])c1c(Cl)cccc1Cl	ZINC000000130940	563986910	/nfs/dbraw/zinc/98/69/10/563986910.db2.gz	AMKQHLVDVVCSJZ-ZDUSSCGKSA-N	0	0	343.235	4.686	50	5		EJBARN
Cn1c2ccccc2c([C@H](C[N+](=O)[O-])c2ccco2)c1-c1ccccc1	ZINC000000141242	563987121	/nfs/dbraw/zinc/98/71/21/563987121.db2.gz	QKJOUFGOFKSWSP-QGZVFWFLSA-N	0	0	346.386	4.847	50	5		EJBARN
Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c(C)c1Cl	ZINC000000150547	563987364	/nfs/dbraw/zinc/98/73/64/563987364.db2.gz	IQYLBDKYCCCYFT-UHFFFAOYSA-N	0	0	340.162	4.738	50	5		EJBARN
O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2Cl)c2nonc21	ZINC000000168593	563987448	/nfs/dbraw/zinc/98/74/48/563987448.db2.gz	WUIBJAYYBXKKCU-UHFFFAOYSA-N	0	0	342.163	4.589	50	5		EJBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1Cl	ZINC000000161761	563987497	/nfs/dbraw/zinc/98/74/97/563987497.db2.gz	CFVUUXWNWGXXLW-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
Cc1nn(-c2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-]	ZINC000000189871	563987886	/nfs/dbraw/zinc/98/78/86/563987886.db2.gz	HLLNZYSBIVVXQI-UHFFFAOYSA-N	0	0	325.393	4.549	50	5		EJBARN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl	ZINC000000258855	563989482	/nfs/dbraw/zinc/98/94/82/563989482.db2.gz	XZVQSJGMIIOMCU-QPJJXVBHSA-N	0	0	337.162	4.554	50	5		EJBARN
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000259091	563989487	/nfs/dbraw/zinc/98/94/87/563989487.db2.gz	IPVGLBVBHFKFRP-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000258347	563989584	/nfs/dbraw/zinc/98/95/84/563989584.db2.gz	NAPFSSHSVDTNTI-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2nc3ccccc3c3nc4ccccc4n32)cc1	ZINC000000261919	563989716	/nfs/dbraw/zinc/98/97/16/563989716.db2.gz	UEPQELNFVZPLQP-UHFFFAOYSA-N	0	0	340.342	4.611	50	5		EJBARN
O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000260856	563989896	/nfs/dbraw/zinc/98/98/96/563989896.db2.gz	SFJFXIOPXAMPRV-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1[N+](=O)[O-]	ZINC000000271917	563990092	/nfs/dbraw/zinc/99/00/92/563990092.db2.gz	FQQFRROFIDZWHY-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
Cc1cccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000000318748	563990922	/nfs/dbraw/zinc/99/09/22/563990922.db2.gz	YPRFCGAMUZKGSJ-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000005063348	563994114	/nfs/dbraw/zinc/99/41/14/563994114.db2.gz	LDYLGOQVXKIJHK-UHFFFAOYSA-N	0	0	348.830	4.793	50	5		EJBARN
Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000000447755	563999565	/nfs/dbraw/zinc/99/95/65/563999565.db2.gz	IMWCIWNBKRZTKH-UHFFFAOYSA-N	0	0	347.374	4.899	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2)o1	ZINC000000452334	563999729	/nfs/dbraw/zinc/99/97/29/563999729.db2.gz	RDISZCJWILWCTO-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c1	ZINC000005193653	564000302	/nfs/dbraw/zinc/00/03/02/564000302.db2.gz	FFZFXRFVDDCUQC-UHFFFAOYSA-N	0	0	328.371	4.626	50	5		EJBARN
CC(C)(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000462536	564000829	/nfs/dbraw/zinc/00/08/29/564000829.db2.gz	OCDBLPGQIIILJL-UHFFFAOYSA-N	0	0	332.787	4.798	50	5		EJBARN
Cc1ccc(NC(=O)c2cccc3nc4ccccc4nc32)cc1C	ZINC000005257531	564001582	/nfs/dbraw/zinc/00/15/82/564001582.db2.gz	GZFSTQJMMHGVBB-UHFFFAOYSA-N	0	0	327.387	4.652	50	5		EJBARN
Cc1cccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3cccc(C)c3)n2)c1	ZINC000005364541	564003077	/nfs/dbraw/zinc/00/30/77/564003077.db2.gz	WQHYYGKMIPFEJL-UHFFFAOYSA-N	0	0	349.394	4.797	50	5		EJBARN
CCCCc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000005421573	564003759	/nfs/dbraw/zinc/00/37/59/564003759.db2.gz	DQKYGWUPNUUPAJ-UHFFFAOYSA-N	0	0	332.787	4.843	50	5		EJBARN
CSc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-]	ZINC000005511829	564004898	/nfs/dbraw/zinc/00/48/98/564004898.db2.gz	CMQQYVWCWYWYKL-UHFFFAOYSA-N	0	0	336.800	4.531	50	5		EJBARN
CCCCc1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000005591170	564006087	/nfs/dbraw/zinc/00/60/87/564006087.db2.gz	AFOYZHGIZCAAKC-UHFFFAOYSA-N	0	0	328.368	4.686	50	5		EJBARN
CC[C@H](C)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000472032	564006185	/nfs/dbraw/zinc/00/61/85/564006185.db2.gz	SPSOOZFIKZUEGP-UONOGXRCSA-N	0	0	326.396	4.851	50	5		EJBARN
CC[C@@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21	ZINC000000538356	564022364	/nfs/dbraw/zinc/02/23/64/564022364.db2.gz	UONXWKOCJOPFNF-GFCCVEGCSA-N	0	0	347.378	4.526	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccc(Cl)cc2)CCCC1	ZINC000000620405	564033171	/nfs/dbraw/zinc/03/31/71/564033171.db2.gz	XFNUBPVXOSXUKX-UHFFFAOYSA-N	0	0	344.798	4.699	50	5		EJBARN
Cc1ccc(Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000000860007	564051006	/nfs/dbraw/zinc/05/10/06/564051006.db2.gz	OQFXYZXIFKXFGB-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccccc1	ZINC000005946517	564057255	/nfs/dbraw/zinc/05/72/55/564057255.db2.gz	SSESEXQTPHTHGL-UHFFFAOYSA-N	0	0	331.396	4.667	50	5		EJBARN
O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1c1nc2ccccc2s1	ZINC000015452186	564063265	/nfs/dbraw/zinc/06/32/65/564063265.db2.gz	QJMQRVAGEQTNTA-MRXNPFEDSA-N	0	0	339.420	4.542	50	5		EJBARN
O=[N+]([O-])c1ccc(Nc2cccc(COC3CCCCC3)c2)nc1	ZINC000084374490	564067993	/nfs/dbraw/zinc/06/79/93/564067993.db2.gz	AQTMATRMDVHXGF-UHFFFAOYSA-N	0	0	327.384	4.583	50	5		EJBARN
O=C(Nc1ccc2c(c1)oc1ccccc12)c1csc([N+](=O)[O-])c1	ZINC000084594610	564068855	/nfs/dbraw/zinc/06/88/55/564068855.db2.gz	IACFOFQPJNNSNJ-UHFFFAOYSA-N	0	0	338.344	4.808	50	5		EJBARN
O=[N+]([O-])c1c(/C=C/c2cc3ccccc3[nH]2)onc1-c1ccccc1	ZINC000075272191	564081331	/nfs/dbraw/zinc/08/13/31/564081331.db2.gz	LZPQEVJSFOMUFI-ZHACJKMWSA-N	0	0	331.331	4.902	50	5		EJBARN
O=[N+]([O-])c1cc(OCc2ccccc2)ccc1OCc1ccccc1	ZINC000001603315	564081755	/nfs/dbraw/zinc/08/17/55/564081755.db2.gz	QDZFMSSFDIBXED-UHFFFAOYSA-N	0	0	335.359	4.753	50	5		EJBARN
O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(F)cc1	ZINC000006243714	564083202	/nfs/dbraw/zinc/08/32/02/564083202.db2.gz	MWXLMLJPMKRHAM-UHFFFAOYSA-N	0	0	349.386	4.806	50	5		EJBARN
CCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000001777432	564087442	/nfs/dbraw/zinc/08/74/42/564087442.db2.gz	WILBKRMXCHHCKL-UHFFFAOYSA-N	0	0	348.786	4.679	50	5		EJBARN
C[C@H](SC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000006510761	564091341	/nfs/dbraw/zinc/09/13/41/564091341.db2.gz	NTPYQNNPQXBXAJ-JTQLQIEISA-N	0	0	342.848	4.641	50	5		EJBARN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000027467782	564125340	/nfs/dbraw/zinc/12/53/40/564125340.db2.gz	QJJWEQVYFXSALB-KFNAQCHYSA-N	0	0	339.819	4.866	50	5	biogenic	EJBARN
CSc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-]	ZINC000013140815	564136076	/nfs/dbraw/zinc/13/60/76/564136076.db2.gz	XEENYIGDLMHFQF-UHFFFAOYSA-N	0	0	336.800	4.531	50	5		EJBARN
O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000002519814	564136475	/nfs/dbraw/zinc/13/64/75/564136475.db2.gz	KHWQQCOUBJTDSG-UHFFFAOYSA-N	0	0	339.178	4.587	50	5		EJBARN
CC(C)n1ncc2c1nc1c3ccc(O)cc3oc1c2-c1cccnc1	ZINC000096115992	564145413	/nfs/dbraw/zinc/14/54/13/564145413.db2.gz	BSJBMVHSGOBZTI-UHFFFAOYSA-N	0	0	344.374	4.679	50	5	biogenic	EJBARN
O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Br)cc1	ZINC000002863103	564152854	/nfs/dbraw/zinc/15/28/54/564152854.db2.gz	ZYXHTOJTZHBCRG-UHFFFAOYSA-N	0	0	328.549	4.803	50	5		EJBARN
CCOc1ccc(OCCCCOc2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000002983878	564154078	/nfs/dbraw/zinc/15/40/78/564154078.db2.gz	LCOBUNDASSLUDZ-UHFFFAOYSA-N	0	0	345.395	4.540	50	5		EJBARN
O=[N+]([O-])c1ccc(CCCCCCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000003080664	564155012	/nfs/dbraw/zinc/15/50/12/564155012.db2.gz	VLWFPNKFKNBCGX-UHFFFAOYSA-N	0	0	328.368	4.849	50	5		EJBARN
O=[N+]([O-])c1ccc(Sc2ccc3ccccc3c2)c([N+](=O)[O-])c1	ZINC000003079952	564155019	/nfs/dbraw/zinc/15/50/19/564155019.db2.gz	IGGMHUBJZROFRV-UHFFFAOYSA-N	0	0	326.333	4.807	50	5		EJBARN
O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2Cc1ccccc1	ZINC000003129822	564155274	/nfs/dbraw/zinc/15/52/74/564155274.db2.gz	RLMAEHHDDARVSK-UHFFFAOYSA-N	0	0	347.330	4.659	50	5		EJBARN
CCN(Cc1csc([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1	ZINC000058378162	564158909	/nfs/dbraw/zinc/15/89/09/564158909.db2.gz	NEEZDBJXSDIEFO-LBPRGKRZSA-N	0	0	330.409	4.986	50	5		EJBARN
C[C@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000069420471	564169393	/nfs/dbraw/zinc/16/93/93/564169393.db2.gz	KXPJBAMVDACARH-QMMMGPOBSA-N	0	0	335.335	4.603	50	5		EJBARN
Cc1ccc(C(=O)OCC=C=CSc2ccc([N+](=O)[O-])cc2)cc1	ZINC000009614769	564174308	/nfs/dbraw/zinc/17/43/08/564174308.db2.gz	FVXVDCVSOGZDTL-UHFFFAOYSA-N	0	0	341.388	4.521	50	5		EJBARN
Cc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	ZINC000004652301	210238807	/nfs/dbraw/zinc/23/88/07/210238807.db2.gz	XITQHFVFOVRMLB-XYOKQWHBSA-N	0	0	338.407	4.853	50	5		EJBARN
O=C(Oc1cccc2ccccc21)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004591828	210228793	/nfs/dbraw/zinc/22/87/93/210228793.db2.gz	HKMSBQCARBEQCF-UHFFFAOYSA-N	0	0	327.723	4.621	50	5		EJBARN
O=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000004583046	210226172	/nfs/dbraw/zinc/22/61/72/210226172.db2.gz	IKKNWNPYWGXRGL-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
CC(C)c1ccc(CNc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1	ZINC000004543595	210218926	/nfs/dbraw/zinc/21/89/26/210218926.db2.gz	WZMPHVIEYVVAIG-UHFFFAOYSA-N	0	0	339.439	4.931	50	5		EJBARN
Cc1ccc(NC(=S)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]	ZINC000098178025	219086658	/nfs/dbraw/zinc/08/66/58/219086658.db2.gz	VYPJSSWQUSLNKG-UHFFFAOYSA-N	0	0	340.326	4.710	50	5		EJBARN
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000004438563	210194079	/nfs/dbraw/zinc/19/40/79/210194079.db2.gz	XBQDIOSLZPXNOO-UHFFFAOYSA-N	0	0	346.386	4.756	50	5		EJBARN
CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000004154815	210134406	/nfs/dbraw/zinc/13/44/06/210134406.db2.gz	IUSCCXWHYFHYPO-CQSZACIVSA-N	0	0	326.396	4.536	50	5		EJBARN
Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c([N+](=O)[O-])c1	ZINC000046018452	213774156	/nfs/dbraw/zinc/77/41/56/213774156.db2.gz	XHMBCSWYHTVEPU-KRWDZBQOSA-N	0	0	339.395	4.581	50	5		EJBARN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003897727	210087774	/nfs/dbraw/zinc/08/77/74/210087774.db2.gz	VCXMBIHSCGPENR-PVXIVEMSSA-N	0	0	339.819	4.866	50	5		EJBARN
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003897728	210087438	/nfs/dbraw/zinc/08/74/38/210087438.db2.gz	VCXMBIHSCGPENR-DETPVDSQSA-N	0	0	339.819	4.866	50	5		EJBARN
O=C(OC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])s1	ZINC000003449908	210043061	/nfs/dbraw/zinc/04/30/61/210043061.db2.gz	PUJFMJQVWZIIPX-UHFFFAOYSA-N	0	0	339.372	4.603	50	5		EJBARN
CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C	ZINC000044086829	213608196	/nfs/dbraw/zinc/60/81/96/213608196.db2.gz	MHWISGLDNZYRKX-UHFFFAOYSA-N	0	0	339.420	4.868	50	5		EJBARN
COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C(C)C)cc1	ZINC000017072009	201985079	/nfs/dbraw/zinc/98/50/79/201985079.db2.gz	MHPNKINVZUPOOY-UHFFFAOYSA-N	0	0	345.424	4.536	50	5		EJBARN
CNc1ccc(/C=C/c2nc3cc(C)ccc3s2)cc1[N+](=O)[O-]	ZINC000021323010	202064318	/nfs/dbraw/zinc/06/43/18/202064318.db2.gz	WJMFMPMVJKNYCQ-VMPITWQZSA-N	0	0	325.393	4.725	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1	ZINC000000510197	209640155	/nfs/dbraw/zinc/64/01/55/209640155.db2.gz	XZSJBULSIPKHID-UHFFFAOYSA-N	0	0	343.342	4.997	50	5		EJBARN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cccc1Cl	ZINC000000258879	209507026	/nfs/dbraw/zinc/50/70/26/209507026.db2.gz	QXCALDNRKCSDJC-BQYQJAHWSA-N	0	0	337.162	4.554	50	5		EJBARN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(F)cc2)o1	ZINC000000258372	209506737	/nfs/dbraw/zinc/50/67/37/209506737.db2.gz	DXNYBQAYNRBDNB-UHFFFAOYSA-N	0	0	340.310	4.555	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2nc3ccccc3c(-c3ccccc3)n2)cc1	ZINC000000233268	209498593	/nfs/dbraw/zinc/49/85/93/209498593.db2.gz	IUOUNQOIBQSNNB-UHFFFAOYSA-N	0	0	327.343	4.872	50	5		EJBARN
O=C(Oc1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc21	ZINC000000063677	209395926	/nfs/dbraw/zinc/39/59/26/209395926.db2.gz	GRZFLTREEADAON-UHFFFAOYSA-N	0	0	332.311	4.524	50	5		EJBARN
CC(C)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1	ZINC000023330870	212368774	/nfs/dbraw/zinc/36/87/74/212368774.db2.gz	GBYLXMQKBWLVQF-UHFFFAOYSA-N	0	0	335.363	4.519	50	5		EJBARN
Cc1ccc(C(=O)Oc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000022340355	212291863	/nfs/dbraw/zinc/29/18/63/212291863.db2.gz	KWOUTUXTJLVLMC-UHFFFAOYSA-N	0	0	349.342	4.915	50	5		EJBARN
CC(C)(C)c1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000000135805	201439014	/nfs/dbraw/zinc/43/90/14/201439014.db2.gz	PXXFDFUHAJDXCW-UHFFFAOYSA-N	0	0	347.798	4.903	50	5		EJBARN
CCCCNc1c2cc([N+](=O)[O-])ccc2nc2c1C(=O)CC(C)(C)C2	ZINC000022205415	212282788	/nfs/dbraw/zinc/28/27/88/212282788.db2.gz	IRDKHLMHKYOIKG-UHFFFAOYSA-N	0	0	341.411	4.510	50	5		EJBARN
O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1	ZINC000000203624	201447743	/nfs/dbraw/zinc/44/77/43/201447743.db2.gz	NLJFHFCUPHYANO-LJQANCHMSA-N	0	0	342.358	4.584	50	5		EJBARN
O=[N+]([O-])c1cccnc1NCc1ccc(-c2ccc(Cl)cc2)o1	ZINC000020669384	212160098	/nfs/dbraw/zinc/16/00/98/212160098.db2.gz	JYBQRFFDODZSRU-UHFFFAOYSA-N	0	0	329.743	4.515	50	5		EJBARN
CCOC(=O)c1c2sc3ccccc3n2c2[nH]c3ccccc3c21	ZINC000048229594	213897136	/nfs/dbraw/zinc/89/71/36/213897136.db2.gz	WUHPJFLSPYVOLO-UHFFFAOYSA-N	0	0	334.400	4.965	50	5		EJBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1C(C)(C)C	ZINC000017071660	211951993	/nfs/dbraw/zinc/95/19/93/211951993.db2.gz	LWPBHVMXDBXLGP-UHFFFAOYSA-N	0	0	343.383	4.545	50	5		EJBARN
Cc1ccc(C(=O)Oc2ccc3c4ccccc4c(=O)oc3c2C)cc1	ZINC000011867599	211260369	/nfs/dbraw/zinc/26/03/69/211260369.db2.gz	VTXRIBBWFKIOTD-UHFFFAOYSA-N	0	0	344.366	4.782	50	5		EJBARN
Cc1cc(OCc2cc3ccccc3nc2Cl)ccc1[N+](=O)[O-]	ZINC000010320459	211162700	/nfs/dbraw/zinc/16/27/00/211162700.db2.gz	QSYFSMLAKBKYQH-UHFFFAOYSA-N	0	0	328.755	4.684	50	5		EJBARN
O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2cccs2)no1	ZINC000006868034	210730842	/nfs/dbraw/zinc/73/08/42/210730842.db2.gz	DWXFANNLQSJGMV-UHFFFAOYSA-N	0	0	346.367	4.725	50	5		EJBARN
CCc1ccc(/C=C/c2nc3ccc(OC)cc3s2)cc1[N+](=O)[O-]	ZINC000006788721	210712198	/nfs/dbraw/zinc/71/21/98/210712198.db2.gz	AECKWQSTEHAVQE-WEVVVXLNSA-N	0	0	340.404	4.946	50	5		EJBARN
Cc1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)cccc1[N+](=O)[O-]	ZINC000005073285	210385332	/nfs/dbraw/zinc/38/53/32/210385332.db2.gz	LYRJNLJTSULQRX-UHFFFAOYSA-N	0	0	347.374	4.899	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cc1ccccc1	ZINC000005060672	210380281	/nfs/dbraw/zinc/38/02/81/210380281.db2.gz	XMYLLVPJGNIPCJ-UHFFFAOYSA-N	0	0	347.374	4.830	50	5		EJBARN
O=C(Nc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000004833536	210292171	/nfs/dbraw/zinc/29/21/71/210292171.db2.gz	FEODOIDPFQQNOA-UHFFFAOYSA-N	0	0	334.331	4.639	50	5		EJBARN
Cc1cc(Cl)ccc1OC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004800797	210280627	/nfs/dbraw/zinc/28/06/27/210280627.db2.gz	UHAKVSIHABPZDE-UHFFFAOYSA-N	0	0	341.150	4.821	50	5		EJBARN
Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)ccc1[N+](=O)[O-]	ZINC000004758645	210271831	/nfs/dbraw/zinc/27/18/31/210271831.db2.gz	JDVIBASNOTYKSC-UHFFFAOYSA-N	0	0	347.374	4.899	50	5		EJBARN
CCOc1ccc(C(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1	ZINC000000455959	258048363	/nfs/dbraw/zinc/04/83/63/258048363.db2.gz	VYFXYKNQGUEIBH-UHFFFAOYSA-N	0	0	340.162	4.531	50	5		EJBARN
Cc1ccc(C)n1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000058438306	132804348	/nfs/dbraw/zinc/80/43/48/132804348.db2.gz	URRPBJQQBVYZDX-UHFFFAOYSA-N	0	0	333.819	4.508	50	5		EJBARN
O=C(c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000002989867	564154158	/nfs/dbraw/zinc/15/41/58/564154158.db2.gz	YKXYUXFCGFBVKX-UHFFFAOYSA-N	0	0	330.554	4.786	50	5		EJBARN
CCCn1c2ccc(Br)cc2c2nc3ccccc3nc21	ZINC000000092335	563222847	/nfs/dbraw/zinc/22/28/47/563222847.db2.gz	GKZRFYGHDWCJQJ-UHFFFAOYSA-N	0	0	340.224	4.910	50	5		EJBARN
O=c1c2ccc(Cl)c3cccc(c4nc5cc(Cl)ccc5n41)c32	ZINC000000325850	563284723	/nfs/dbraw/zinc/28/47/23/563284723.db2.gz	AIMTZFSVOJTIJT-UHFFFAOYSA-N	0	0	339.181	4.899	50	5		EJBARN
Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c(C)c1	ZINC000000442939	563315128	/nfs/dbraw/zinc/31/51/28/563315128.db2.gz	CESCXLIXDCZOEB-UHFFFAOYSA-N	0	0	343.382	4.815	50	5		EJBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc21	ZINC000000450707	563319808	/nfs/dbraw/zinc/31/98/08/563319808.db2.gz	CHLYBDULJRKMDX-UHFFFAOYSA-N	0	0	326.739	4.654	50	5		EJBARN
C/C(=C\c1ccc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1)[N+](=O)[O-]	ZINC000004322666	563644359	/nfs/dbraw/zinc/64/43/59/563644359.db2.gz	FZBLGSROPKUJCM-SOFGYWHQSA-N	0	0	342.229	4.511	50	5		EJBARN
Cc1cc(C)cc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c1	ZINC000017071524	563834587	/nfs/dbraw/zinc/83/45/87/563834587.db2.gz	GDUHJQWITSKWGP-UHFFFAOYSA-N	0	0	342.398	4.935	50	5		EJBARN
Cc1c(C(=O)Oc2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-]	ZINC000043191231	563860083	/nfs/dbraw/zinc/86/00/83/563860083.db2.gz	XAKCLZQLXGWWIM-UHFFFAOYSA-N	0	0	333.343	4.789	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2nc3ccccc3c(NC3CCCCC3)n2)cc1	ZINC000000072018	563973696	/nfs/dbraw/zinc/97/36/96/563973696.db2.gz	JCQGNPMRDJNTJP-UHFFFAOYSA-N	0	0	348.406	4.950	50	5		EJBARN
O=[N+]([O-])c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1	ZINC000000088601	563974594	/nfs/dbraw/zinc/97/45/94/563974594.db2.gz	ADVRMZNPSFCWTI-UHFFFAOYSA-N	0	0	345.402	4.620	50	5		EJBARN
O=[N+]([O-])C[C@H](c1ccco1)c1c2ccccc2[nH]c1-c1ccccc1	ZINC000000086083	563974616	/nfs/dbraw/zinc/97/46/16/563974616.db2.gz	RYOZXDJCTOEOFN-MRXNPFEDSA-N	0	0	332.359	4.837	50	5		EJBARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc2ccccc2o1	ZINC000000086351	563975877	/nfs/dbraw/zinc/97/58/77/563975877.db2.gz	UAEMQEWLSWQKMG-UHFFFAOYSA-N	0	0	340.282	4.906	50	5		EJBARN
O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000000092308	563976437	/nfs/dbraw/zinc/97/64/37/563976437.db2.gz	JANVFWSQIUGLGM-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1C	ZINC000011566350	563980792	/nfs/dbraw/zinc/98/07/92/563980792.db2.gz	ZQQJLZALUPLWNT-UHFFFAOYSA-N	0	0	343.382	4.815	50	5		EJBARN
CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1	ZINC000044087330	563981242	/nfs/dbraw/zinc/98/12/42/563981242.db2.gz	BXSURERLKBXALN-UHFFFAOYSA-N	0	0	345.811	4.823	50	5		EJBARN
O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000000103253	563982170	/nfs/dbraw/zinc/98/21/70/563982170.db2.gz	GSOFFQPSRDZVKX-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=[N+]([O-])c1ccc(COc2ccc(C3SCCS3)cc2)cc1	ZINC000000132620	563986914	/nfs/dbraw/zinc/98/69/14/563986914.db2.gz	XHFXQGCLVSEAQO-UHFFFAOYSA-N	0	0	333.434	4.652	50	5		EJBARN
CC(C)(C)c1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000137089	563986941	/nfs/dbraw/zinc/98/69/41/563986941.db2.gz	YRUHQOZIEXGHBV-UHFFFAOYSA-N	0	0	333.771	4.765	50	5		EJBARN
Cc1ccc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc1[N+](=O)[O-]	ZINC000000181173	563987846	/nfs/dbraw/zinc/98/78/46/563987846.db2.gz	RGKMALREZDAGAS-QGZVFWFLSA-N	0	0	332.359	4.531	50	5	aggregator	EJBARN
O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)nc3ccccc32)cc1	ZINC000000191154	563988090	/nfs/dbraw/zinc/98/80/90/563988090.db2.gz	RHBJFFVBPSRDNO-UHFFFAOYSA-N	0	0	327.343	4.872	50	5		EJBARN
CC1=CC[C@@H](C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000000192958	563988192	/nfs/dbraw/zinc/98/81/92/563988192.db2.gz	PABWAFBCJHTSHO-MOPGFXCFSA-N	0	0	336.391	4.673	50	5		EJBARN
O=[N+]([O-])c1ccc(Sc2cccc3cccnc32)c2ncccc12	ZINC000000202544	563988305	/nfs/dbraw/zinc/98/83/05/563988305.db2.gz	BXROCCQPMIIQCW-UHFFFAOYSA-N	0	0	333.372	4.842	50	5		EJBARN
Cc1ccccc1C(=O)Nc1cc2c(ccc3ccccc32)oc1=O	ZINC000000238788	563989048	/nfs/dbraw/zinc/98/90/48/563989048.db2.gz	WEXZIWSIFZVHOK-UHFFFAOYSA-N	0	0	329.355	4.507	50	5		EJBARN
O=C(Oc1ccc2ccccc2c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000268120	563989989	/nfs/dbraw/zinc/98/99/89/563989989.db2.gz	RWPBTRIVHQJISA-UHFFFAOYSA-N	0	0	327.723	4.621	50	5		EJBARN
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000000288663	563990141	/nfs/dbraw/zinc/99/01/41/563990141.db2.gz	HSCWRZSWUGFJNV-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
Cc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1	ZINC000000276693	563990142	/nfs/dbraw/zinc/99/01/42/563990142.db2.gz	GMAJLCYZBNBUKY-UHFFFAOYSA-N	0	0	336.347	4.724	50	5		EJBARN
O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000282607	563990172	/nfs/dbraw/zinc/99/01/72/563990172.db2.gz	OZFBOTWQJHHVJB-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=c1oc2ccc3ccccc3c2cc1-c1cn2cc(Cl)ccc2n1	ZINC000000348951	563991522	/nfs/dbraw/zinc/99/15/22/563991522.db2.gz	QFTANBPOOSRFRC-UHFFFAOYSA-N	0	0	346.773	4.914	50	5		EJBARN
Cc1ccc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	ZINC000033456731	563992201	/nfs/dbraw/zinc/99/22/01/563992201.db2.gz	XITQHFVFOVRMLB-WQLSENKSSA-N	0	0	338.407	4.853	50	5		EJBARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC=C(c2ccccc2)CC1	ZINC000004998788	563993703	/nfs/dbraw/zinc/99/37/03/563993703.db2.gz	XWGHNCQKENXXSH-UHFFFAOYSA-N	0	0	348.324	4.907	50	5		EJBARN
Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc(C)cc1	ZINC000005033349	563993933	/nfs/dbraw/zinc/99/39/33/563993933.db2.gz	HGTYJUAUQXBEED-UHFFFAOYSA-N	0	0	336.347	4.724	50	5		EJBARN
Cc1cc(OC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(C)c1Cl	ZINC000001738282	563994316	/nfs/dbraw/zinc/99/43/16/563994316.db2.gz	JDEWBYISVULIJH-UHFFFAOYSA-N	0	0	338.722	4.615	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000000455442	563999687	/nfs/dbraw/zinc/99/96/87/563999687.db2.gz	DJDXYIBOAOKCFS-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
Cc1c(C(=O)OC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-]	ZINC000000466887	564000833	/nfs/dbraw/zinc/00/08/33/564000833.db2.gz	CXYIRHOUSRUMOR-UHFFFAOYSA-N	0	0	347.370	4.850	50	5		EJBARN
Cc1nc(N(Cc2ccccc2)Cc2ccccc2)ccc1[N+](=O)[O-]	ZINC000061997510	564002655	/nfs/dbraw/zinc/00/26/55/564002655.db2.gz	QHABNNRHGYVCJP-UHFFFAOYSA-N	0	0	333.391	4.505	50	5		EJBARN
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1	ZINC000003302548	564004438	/nfs/dbraw/zinc/00/44/38/564004438.db2.gz	WLFKACXDAYDIGJ-UHFFFAOYSA-N	0	0	333.343	4.619	50	5		EJBARN
CC[C@H](C)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000472030	564006186	/nfs/dbraw/zinc/00/61/86/564006186.db2.gz	SPSOOZFIKZUEGP-KBPBESRZSA-N	0	0	326.396	4.851	50	5		EJBARN
COc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl	ZINC000005661780	564013070	/nfs/dbraw/zinc/01/30/70/564013070.db2.gz	KHKJUBTYSRLSOK-UHFFFAOYSA-N	0	0	327.167	4.522	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2nc3ccccc3c(N3CCCCCC3)n2)c1	ZINC000000524352	564021220	/nfs/dbraw/zinc/02/12/20/564021220.db2.gz	KBBPPCOGPLZIGU-UHFFFAOYSA-N	0	0	348.406	4.585	50	5		EJBARN
O=C(Nc1nc2c(ccc3ccccc23)s1)c1cccc([N+](=O)[O-])c1	ZINC000000567818	564023421	/nfs/dbraw/zinc/02/34/21/564023421.db2.gz	WJLQOLFEICIPFL-UHFFFAOYSA-N	0	0	349.371	4.610	50	5		EJBARN
Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	ZINC000000258370	564024189	/nfs/dbraw/zinc/02/41/89/564024189.db2.gz	POHZQGLZDIBODA-UHFFFAOYSA-N	0	0	336.347	4.724	50	5		EJBARN
Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000005744921	564024964	/nfs/dbraw/zinc/02/49/64/564024964.db2.gz	VFDKUJXOKCEOHQ-UHFFFAOYSA-N	0	0	336.347	4.724	50	5		EJBARN
O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1	ZINC000000619030	564031823	/nfs/dbraw/zinc/03/18/23/564031823.db2.gz	MALTWJLGMLVUNB-UHFFFAOYSA-N	0	0	342.207	4.711	50	5		EJBARN
O=C(Nc1cccnc1Cl)c1cc2ccccc2c2cccnc12	ZINC000225444339	564046807	/nfs/dbraw/zinc/04/68/07/564046807.db2.gz	KXZKYCJZAMHHRL-UHFFFAOYSA-N	0	0	333.778	4.689	50	5		EJBARN
O=[N+]([O-])c1ccccc1SNc1nc(-c2ccccc2)cs1	ZINC000000992502	564053824	/nfs/dbraw/zinc/05/38/24/564053824.db2.gz	SMMIJYWKRRTXKO-UHFFFAOYSA-N	0	0	329.406	4.838	50	5		EJBARN
O=[N+]([O-])c1ccc(OCc2csc(-c3ccco3)n2)c(Cl)c1	ZINC000025456217	564054400	/nfs/dbraw/zinc/05/44/00/564054400.db2.gz	GIHRBKUJYKKSBL-UHFFFAOYSA-N	0	0	336.756	4.544	50	5		EJBARN
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21	ZINC000012491181	564058028	/nfs/dbraw/zinc/05/80/28/564058028.db2.gz	HMRLZXGSSGAADY-FQEVSTJZSA-N	0	0	342.358	4.584	50	5		EJBARN
O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)c(Br)c1	ZINC000001383648	564063924	/nfs/dbraw/zinc/06/39/24/564063924.db2.gz	IQCSKYWDNDPSGN-UHFFFAOYSA-N	0	0	328.162	4.648	50	5		EJBARN
Cc1nc(SCc2csc([N+](=O)[O-])c2)[nH]c1Cc1ccccc1	ZINC000084052216	564065949	/nfs/dbraw/zinc/06/59/49/564065949.db2.gz	ORYJHFLFWYYDQN-UHFFFAOYSA-N	0	0	345.449	4.571	50	5		EJBARN
CCCn1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1	ZINC000084760643	564070035	/nfs/dbraw/zinc/07/00/35/564070035.db2.gz	FBHQIMOYLYOCLA-UHFFFAOYSA-N	0	0	342.424	4.542	50	5		EJBARN
Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1[N+](=O)[O-]	ZINC000006083926	564073669	/nfs/dbraw/zinc/07/36/69/564073669.db2.gz	SUIJCODARGPELL-UHFFFAOYSA-N	0	0	346.386	4.746	50	5		EJBARN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl	ZINC000001957350	564090342	/nfs/dbraw/zinc/09/03/42/564090342.db2.gz	NMCRJVIBLCARGX-BQYQJAHWSA-N	0	0	337.162	4.554	50	5		EJBARN
O=[N+]([O-])c1ccc(C(=C(Cl)Cl)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002023264	564091718	/nfs/dbraw/zinc/09/17/18/564091718.db2.gz	UEGBIEXUQLAYHV-UHFFFAOYSA-N	0	0	339.134	4.698	50	5		EJBARN
C[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)c1ccccc1	ZINC000002056481	564093479	/nfs/dbraw/zinc/09/34/79/564093479.db2.gz	XIIABVOOWCPZQR-CABCVRRESA-N	0	0	327.380	4.582	50	5		EJBARN
Cc1c(Cl)cccc1NC(=O)c1cccc2nc3ccccc3nc21	ZINC000009910304	564110818	/nfs/dbraw/zinc/11/08/18/564110818.db2.gz	YZCKOYHKGHTTSU-UHFFFAOYSA-N	0	0	347.805	4.997	50	5		EJBARN
COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccccc1C(C)C	ZINC000017072006	564116343	/nfs/dbraw/zinc/11/63/43/564116343.db2.gz	HDONHTWXBGEHAV-UHFFFAOYSA-N	0	0	345.424	4.536	50	5		EJBARN
C[C@H](OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)c1ccccc1	ZINC000002166274	564120203	/nfs/dbraw/zinc/12/02/03/564120203.db2.gz	WVQFLVUVBIPBSO-NEPJUHHUSA-N	0	0	348.380	4.719	50	5		EJBARN
O=[N+]([O-])c1ccc(Cl)c(CN2CC=C(c3ccc(F)cc3)CC2)c1	ZINC000055291839	564135006	/nfs/dbraw/zinc/13/50/06/564135006.db2.gz	HKFOLZLDFMJZMK-UHFFFAOYSA-N	0	0	346.789	4.677	50	5		EJBARN
O=C(CCNc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1	ZINC000002522050	564150353	/nfs/dbraw/zinc/15/03/53/564150353.db2.gz	CICDFKKRNUNKHI-UHFFFAOYSA-N	0	0	346.386	4.947	50	5		EJBARN
Cc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000002698208	564152121	/nfs/dbraw/zinc/15/21/21/564152121.db2.gz	JOVVHIFYYRBPOV-ZRDIBKRKSA-N	0	0	348.358	4.815	50	5		EJBARN
Cc1ccc(S[C@@H](C)c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1	ZINC000002880129	564152872	/nfs/dbraw/zinc/15/28/72/564152872.db2.gz	PLSFOAHKIWOHMU-LBPRGKRZSA-N	0	0	341.392	4.807	50	5		EJBARN
Cc1ccc([N+](=O)[O-])c(C)c1OCc1nc2ccccc2n1C(F)F	ZINC000029751148	564153743	/nfs/dbraw/zinc/15/37/43/564153743.db2.gz	HOSGJYANHCRPBG-UHFFFAOYSA-N	0	0	347.321	4.535	50	5		EJBARN
O=[N+]([O-])c1c(/C=C\c2cc3ccccc3[nH]2)onc1-c1ccccc1	ZINC000230212036	564155135	/nfs/dbraw/zinc/15/51/35/564155135.db2.gz	LZPQEVJSFOMUFI-KHPPLWFESA-N	0	0	331.331	4.902	50	5		EJBARN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1	ZINC000003279805	564156886	/nfs/dbraw/zinc/15/68/86/564156886.db2.gz	ZTJSXFYOPZWEMF-UHFFFAOYSA-N	0	0	349.342	4.744	50	5		EJBARN
Clc1ccc(-c2csc3nc4nc5ccccc5c-4nn23)cc1	ZINC000027019081	564176389	/nfs/dbraw/zinc/17/63/89/564176389.db2.gz	NDLITQVWXBWNOO-UHFFFAOYSA-N	0	0	336.807	4.764	50	5		EJBARN
CCCc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3Cl)no2)cc1	ZINC000004740883	210265666	/nfs/dbraw/zinc/26/56/66/210265666.db2.gz	ZAVVHPIWTQUXDE-UHFFFAOYSA-N	0	0	343.770	4.918	50	5		EJBARN
COc1cccc(Nc2c3cc([N+](=O)[O-])ccc3nc3c2CCCC3)c1	ZINC000004192763	210142833	/nfs/dbraw/zinc/14/28/33/210142833.db2.gz	KNYXVVFITOCCTA-UHFFFAOYSA-N	0	0	349.390	4.774	50	5		EJBARN
Cc1ccc(-c2nnc(-c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1	ZINC000004050376	210108111	/nfs/dbraw/zinc/10/81/11/210108111.db2.gz	COBNYAYCQGBDOI-UHFFFAOYSA-N	0	0	337.360	4.835	50	5		EJBARN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccccc2)c1	ZINC000003318072	210005851	/nfs/dbraw/zinc/00/58/51/210005851.db2.gz	MMTGSNUCGSTDPR-UHFFFAOYSA-N	0	0	349.342	4.744	50	5		EJBARN
O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccccc1[N+](=O)[O-]	ZINC000040074351	213259270	/nfs/dbraw/zinc/25/92/70/213259270.db2.gz	HCAJJUXGYRRBCA-UHFFFAOYSA-N	0	0	336.322	4.653	50	5		EJBARN
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1	ZINC000000715470	209685375	/nfs/dbraw/zinc/68/53/75/209685375.db2.gz	JCZZGCBBIPCCSZ-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000473449	209623824	/nfs/dbraw/zinc/62/38/24/209623824.db2.gz	CYUWDJGZORSQND-QPJJXVBHSA-N	0	0	337.162	4.554	50	5		EJBARN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1	ZINC000000462106	209615126	/nfs/dbraw/zinc/61/51/26/209615126.db2.gz	OWTHHEGOXRPOAM-UHFFFAOYSA-N	0	0	348.358	4.568	50	5		EJBARN
CC(C)(C)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000032935947	212878871	/nfs/dbraw/zinc/87/88/71/212878871.db2.gz	OLBITSCQSNAJOE-INIZCTEOSA-N	0	0	327.384	4.504	50	5		EJBARN
CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(O)cc1	ZINC000034577526	202273574	/nfs/dbraw/zinc/27/35/74/202273574.db2.gz	ZJZKLBXEGZKOBW-UHFFFAOYSA-N	0	0	339.347	4.620	50	5		EJBARN
Cc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000000370128	209555878	/nfs/dbraw/zinc/55/58/78/209555878.db2.gz	ZKIYUUSARBWFMR-UHFFFAOYSA-N	0	0	332.787	4.932	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1	ZINC000000258509	209507353	/nfs/dbraw/zinc/50/73/53/209507353.db2.gz	XHHJDYNMDKPNKH-UHFFFAOYSA-N	0	0	342.358	4.510	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)nc3ccccc32)c1	ZINC000000184166	209470317	/nfs/dbraw/zinc/47/03/17/209470317.db2.gz	WCCIQECOWZLAFO-UHFFFAOYSA-N	0	0	327.343	4.872	50	5		EJBARN
O=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000149953	209453066	/nfs/dbraw/zinc/45/30/66/209453066.db2.gz	AUQYCOQTHNMVJU-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
Cc1sc2ncnc(SCc3ccc([N+](=O)[O-])cc3)c2c1C	ZINC000000132254	209440164	/nfs/dbraw/zinc/44/01/64/209440164.db2.gz	PXINTLDFHXKBDE-UHFFFAOYSA-N	0	0	331.422	4.509	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000102792	209421576	/nfs/dbraw/zinc/42/15/76/209421576.db2.gz	GDMZZEMLYSYLQW-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000103074	209421089	/nfs/dbraw/zinc/42/10/89/209421089.db2.gz	RANFEBZTFZJQMH-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2csc(COc3ccccc3Cl)n2)cc1	ZINC000000113967	209429202	/nfs/dbraw/zinc/42/92/02/209429202.db2.gz	CQMXBLFZYQDVGW-UHFFFAOYSA-N	0	0	346.795	4.951	50	5		EJBARN
CC(C)(C)Sc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1	ZINC000000092609	209415390	/nfs/dbraw/zinc/41/53/90/209415390.db2.gz	GMKJUWLVKHACHS-UHFFFAOYSA-N	0	0	330.409	4.738	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2cn(-c3cccc(Cl)c3)c(=S)[nH]2)cc1	ZINC000000424405	201470513	/nfs/dbraw/zinc/47/05/13/201470513.db2.gz	IQADVVCVTZXFDG-UHFFFAOYSA-N	0	0	331.784	4.763	50	5		EJBARN
O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000441691	201473708	/nfs/dbraw/zinc/47/37/08/201473708.db2.gz	VYDFVNFXWVHPBS-VMPITWQZSA-N	0	0	337.162	4.554	50	5		EJBARN
CCOC(=O)c1cnc2c3ccccc3ccc2c1NC1CCCCC1	ZINC000005958524	201668285	/nfs/dbraw/zinc/66/82/85/201668285.db2.gz	NXCANNXJEBCTOF-UHFFFAOYSA-N	0	0	348.446	4.731	50	5		EJBARN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000017299386	211963762	/nfs/dbraw/zinc/96/37/62/211963762.db2.gz	VCXMBIHSCGPENR-KFNAQCHYSA-N	0	0	339.819	4.866	50	5		EJBARN
CC(C)n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccccc1	ZINC000016711428	211931482	/nfs/dbraw/zinc/93/14/82/211931482.db2.gz	CTEXDFLYGPGAGR-HNENSFHCSA-N	0	0	339.420	4.938	50	5		EJBARN
O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@@H]1c1nc2ccccc2o1	ZINC000089874881	217868544	/nfs/dbraw/zinc/86/85/44/217868544.db2.gz	ZBWAGCGKRFXUPS-OAHLLOKOSA-N	0	0	341.342	4.607	50	5		EJBARN
CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccc(C)cc1	ZINC000005719498	210523173	/nfs/dbraw/zinc/52/31/73/210523173.db2.gz	YFDMDHWLIWLCND-HNENSFHCSA-N	0	0	339.420	4.686	50	5		EJBARN
Clc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	ZINC000005519661	210480127	/nfs/dbraw/zinc/48/01/27/210480127.db2.gz	KVABYTVEDZGDHC-UHFFFAOYSA-N	0	0	330.778	4.980	50	5		EJBARN
CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000005008241	210361278	/nfs/dbraw/zinc/36/12/78/210361278.db2.gz	QFINIEYYVWVAPR-UHFFFAOYSA-N	0	0	332.787	4.798	50	5		EJBARN
Cc1ccc(Nc2nc(COc3ccccc3[N+](=O)[O-])cs2)cc1	ZINC000004960596	210340725	/nfs/dbraw/zinc/34/07/25/210340725.db2.gz	QWGMIIBOCHMHNP-UHFFFAOYSA-N	0	0	341.392	4.682	50	5		EJBARN
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000004852073	210300468	/nfs/dbraw/zinc/30/04/68/210300468.db2.gz	QMXSXIXRYOTQEW-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
Cc1c(C(=O)Nc2ccccc2[N+](=O)[O-])csc1-c1ccccc1	ZINC000004844585	210296973	/nfs/dbraw/zinc/29/69/73/210296973.db2.gz	QAGBAWCZEZFFDW-UHFFFAOYSA-N	0	0	338.388	4.884	50	5		EJBARN
Cc1ccc(OCc2nc3ccccc3c3ccccc32)c([N+](=O)[O-])n1	ZINC000007785758	258053393	/nfs/dbraw/zinc/05/33/93/258053393.db2.gz	URXMMQCPLLHNSJ-UHFFFAOYSA-N	0	0	345.358	4.579	50	5		EJBARN
CC1=CC(C)(C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000002266723	135656711	/nfs/dbraw/zinc/65/67/11/135656711.db2.gz	QYMYAEKFTXPOQF-JLHYYAGUSA-N	0	0	348.402	4.837	50	5		EJBARN
C[C@@H]1CCCCN1c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21	ZINC000002813638	135658457	/nfs/dbraw/zinc/65/84/57/135658457.db2.gz	BSVBOTMYVUJNBM-CQSZACIVSA-N	0	0	348.406	4.584	50	5		EJBARN
O=C(c1ccc([N+](=O)[O-])o1)N1c2ccccc2Sc2ccccc21	ZINC000000033786	526718126	/nfs/dbraw/zinc/71/81/26/526718126.db2.gz	UTWXYDAVYSKTMJ-UHFFFAOYSA-N	0	0	338.344	4.631	50	5		EJBARN
COc1ccccc1COc1ccc2c3ccccc3c(=O)oc2c1C	ZINC000000307682	563278516	/nfs/dbraw/zinc/27/85/16/563278516.db2.gz	OWKLSGIEGOCTAG-UHFFFAOYSA-N	0	0	346.382	4.842	50	5	biogenic	EJBARN
C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)c1ccccc1	ZINC000000389333	563303848	/nfs/dbraw/zinc/30/38/48/563303848.db2.gz	JHUSXEHEXJRWJI-AWEZNQCLSA-N	0	0	344.366	4.596	50	5	biogenic	EJBARN
O=C(Nc1ccc(Cl)cc1)c1ccc2nc3ccccc3nc2c1	ZINC000003997401	563491765	/nfs/dbraw/zinc/49/17/65/563491765.db2.gz	ROBRISJRSONTBB-UHFFFAOYSA-N	0	0	333.778	4.689	50	5		EJBARN
COc1ccccc1OCCCCCCOc1ccccc1[N+](=O)[O-]	ZINC000002906406	563646355	/nfs/dbraw/zinc/64/63/55/563646355.db2.gz	NYMVVUNRTJVLGW-UHFFFAOYSA-N	0	0	345.395	4.622	50	5		EJBARN
Cc1ccc(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])cc1Cl	ZINC000013840569	563935240	/nfs/dbraw/zinc/93/52/40/563935240.db2.gz	GWQZYSFDCRCZPP-UHFFFAOYSA-N	0	0	339.779	4.505	50	5		EJBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1cc(C)ccc1C(C)C	ZINC000004797204	563974748	/nfs/dbraw/zinc/97/47/48/563974748.db2.gz	OQGIZFJROXYLPD-UHFFFAOYSA-N	0	0	344.367	4.646	50	5		EJBARN
CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cccc([N+](=O)[O-])c4O[C@@]312	ZINC000004794759	563974795	/nfs/dbraw/zinc/97/47/95/563974795.db2.gz	AOQKMJVGELKIIG-NHCUHLMSSA-N	0	0	348.402	4.659	50	5	aggregator	EJBARN
O=c1c2ccccc2nc2cc(-c3ccccc3)c(-c3ccccc3)nn21	ZINC000000092733	563976601	/nfs/dbraw/zinc/97/66/01/563976601.db2.gz	ADNSORMWXRNAFH-UHFFFAOYSA-N	0	0	349.393	4.577	50	5		EJBARN
O=[N+]([O-])c1ccccc1C1N(c2ccccc2)CCN1c1ccccc1	ZINC000000125556	563986788	/nfs/dbraw/zinc/98/67/88/563986788.db2.gz	KIUZRYJVLYMHQD-UHFFFAOYSA-N	0	0	345.402	4.620	50	5		EJBARN
N#C[C@@](Cc1ccccc1)(c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000000173438	563987585	/nfs/dbraw/zinc/98/75/85/563987585.db2.gz	JREZFNAUKMTFOJ-NRFANRHFSA-N	0	0	328.371	4.647	50	5		EJBARN
CC(C)Cn1c2c(c(=S)nc1-c1cccc([N+](=O)[O-])c1)CCCC2	ZINC000000202435	563988302	/nfs/dbraw/zinc/98/83/02/563988302.db2.gz	QFPSGUFHIGJBTJ-UHFFFAOYSA-N	0	0	343.452	4.723	50	5		EJBARN
O=C(c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000303249	563990774	/nfs/dbraw/zinc/99/07/74/563990774.db2.gz	XVVFUZRHVSFNQA-UHFFFAOYSA-N	0	0	330.554	4.786	50	5		EJBARN
CC(C)(C)c1ccc(/C=C/C(=O)Oc2cccc([N+](=O)[O-])c2)cc1	ZINC000000302016	563990780	/nfs/dbraw/zinc/99/07/80/563990780.db2.gz	GDFUBFRSXBZRPI-FMIVXFBMSA-N	0	0	325.364	4.511	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c1	ZINC000000319860	563991177	/nfs/dbraw/zinc/99/11/77/563991177.db2.gz	JHISYUPBAWBEFE-UHFFFAOYSA-N	0	0	347.783	4.591	50	5		EJBARN
O=[N+]([O-])c1cccc2ccc(/C=C/c3ccccc3OC(F)F)nc21	ZINC000005155763	563994695	/nfs/dbraw/zinc/99/46/95/563994695.db2.gz	ZBWMZSOSXZWJAB-CSKARUKUSA-N	0	0	342.301	4.915	50	5		EJBARN
CC1=CC[C@H](C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000000195269	563997564	/nfs/dbraw/zinc/99/75/64/563997564.db2.gz	PABWAFBCJHTSHO-RBUKOAKNSA-N	0	0	336.391	4.673	50	5		EJBARN
Cc1c(NC(=O)/C=C/c2cccc3ccccc23)cccc1[N+](=O)[O-]	ZINC000000450361	563999721	/nfs/dbraw/zinc/99/97/21/563999721.db2.gz	PTVFIGHINOJCGV-OUKQBFOZSA-N	0	0	332.359	4.708	50	5		EJBARN
C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2ccnc2)cc1	ZINC000005265172	564001717	/nfs/dbraw/zinc/00/17/17/564001717.db2.gz	YSDXBEALJYWWDX-GFCCVEGCSA-N	0	0	342.786	4.607	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Oc3ccccc3)n2)c1	ZINC000000524535	564021231	/nfs/dbraw/zinc/02/12/31/564021231.db2.gz	WBXPOPKFCUFRJS-UHFFFAOYSA-N	0	0	343.342	4.997	50	5		EJBARN
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000562693	564023224	/nfs/dbraw/zinc/02/32/24/564023224.db2.gz	SOEPYRUUDYIZPR-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000046018333	564029248	/nfs/dbraw/zinc/02/92/48/564029248.db2.gz	DCADICOGBCQMIU-KRWDZBQOSA-N	0	0	339.395	4.581	50	5		EJBARN
CCC(C)(C)C1CCC(NC(=S)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000000621570	564033151	/nfs/dbraw/zinc/03/31/51/564033151.db2.gz	CNFYNSFZSABGTJ-UHFFFAOYSA-N	0	0	349.500	4.876	50	5		EJBARN
O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(Cl)nc1	ZINC000006607788	564033257	/nfs/dbraw/zinc/03/32/57/564033257.db2.gz	PGVUZNKVZOGPDN-UHFFFAOYSA-N	0	0	348.789	4.793	50	5		EJBARN
O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000000859330	564051014	/nfs/dbraw/zinc/05/10/14/564051014.db2.gz	WPJNXGUHMJIVJG-UHFFFAOYSA-N	0	0	334.331	4.639	50	5		EJBARN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000003897375	564057900	/nfs/dbraw/zinc/05/79/00/564057900.db2.gz	CZYVCGVPYRVQGM-PVXIVEMSSA-N	0	0	339.819	4.866	50	5	biogenic	EJBARN
O=c1[nH]c2nc(C(F)(F)F)cc(-c3cccs3)c2c2ccccc12	ZINC000012610350	564060624	/nfs/dbraw/zinc/06/06/24/564060624.db2.gz	SBTQBEHIOOZRCH-UHFFFAOYSA-N	0	0	346.333	4.824	50	5		EJBARN
CCc1nc2c3ccccc3oc2c(Oc2cc(C)ccc2[N+](=O)[O-])n1	ZINC000015866557	564077197	/nfs/dbraw/zinc/07/71/97/564077197.db2.gz	ZFYMDJJHOIWEOR-UHFFFAOYSA-N	0	0	349.346	4.947	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2-c2cccc(Cl)c2)c1	ZINC000026423045	564082154	/nfs/dbraw/zinc/08/21/54/564082154.db2.gz	ICVKXTUHTWEWGX-UHFFFAOYSA-N	0	0	331.784	4.763	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2ncnc3sc4c(c32)CCC4)c(Cl)c1	ZINC000002621971	564087263	/nfs/dbraw/zinc/08/72/63/564087263.db2.gz	QVMAMSKMPGIPCD-UHFFFAOYSA-N	0	0	347.783	4.534	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)c2ccncc21	ZINC000006510452	564091286	/nfs/dbraw/zinc/09/12/86/564091286.db2.gz	AEBRFZRZBOBXQX-UHFFFAOYSA-N	0	0	334.253	4.954	50	5		EJBARN
Cc1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1F	ZINC000006541428	564091841	/nfs/dbraw/zinc/09/18/41/564091841.db2.gz	WAFMSMHHLYMIHZ-UHFFFAOYSA-N	0	0	339.779	4.505	50	5		EJBARN
Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000006948215	564102141	/nfs/dbraw/zinc/10/21/41/564102141.db2.gz	WUZZYNNXXOCHTK-UHFFFAOYSA-N	0	0	340.310	4.555	50	5		EJBARN
CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000139173469	564106711	/nfs/dbraw/zinc/10/67/11/564106711.db2.gz	OPPUZFADVMQZQS-KTKRTIGZSA-N	0	0	333.771	4.565	50	5		EJBARN
O=[N+]([O-])c1cccnc1SCc1nc2ccccc2c2ccccc12	ZINC000065693094	564109393	/nfs/dbraw/zinc/10/93/93/564109393.db2.gz	HAODCSORRYBISK-UHFFFAOYSA-N	0	0	347.399	4.984	50	5		EJBARN
O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl	ZINC000013790869	564112071	/nfs/dbraw/zinc/11/20/71/564112071.db2.gz	TYJOWLSRSKTPCP-UHFFFAOYSA-N	0	0	342.207	4.711	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2nc3ccccc3c(Nc3ccccc3)n2)cc1	ZINC000016956751	564115169	/nfs/dbraw/zinc/11/51/69/564115169.db2.gz	ZQABADCRERUSFM-UHFFFAOYSA-N	0	0	342.358	4.949	50	5		EJBARN
O=[N+]([O-])c1ccc(OCc2cc(-c3cccs3)on2)c(Cl)c1	ZINC000007823201	564124037	/nfs/dbraw/zinc/12/40/37/564124037.db2.gz	BVEGOHHNHRFVLY-UHFFFAOYSA-N	0	0	336.756	4.544	50	5		EJBARN
COc1ccc(Cc2c3ccccc3nc3ccccc32)cc1OC	ZINC000096028118	564145076	/nfs/dbraw/zinc/14/50/76/564145076.db2.gz	GZWDWQIROWCJKK-UHFFFAOYSA-N	0	0	329.399	4.996	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1	ZINC000002879099	564152890	/nfs/dbraw/zinc/15/28/90/564152890.db2.gz	GHTQUTUILHBWJO-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
O=C(Nc1ccccc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000002881044	564152905	/nfs/dbraw/zinc/15/29/05/564152905.db2.gz	SHFCYDYJDDCCKN-UHFFFAOYSA-N	0	0	334.331	4.639	50	5		EJBARN
CCN(CC)C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000002880760	564152906	/nfs/dbraw/zinc/15/29/06/564152906.db2.gz	QZCUCDHGADIULE-UHFFFAOYSA-N	0	0	348.786	4.523	50	5		EJBARN
O=C(Oc1ccccc1C1CCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000003123146	564155278	/nfs/dbraw/zinc/15/52/78/564155278.db2.gz	MSBDLCSZXAQKRW-UHFFFAOYSA-N	0	0	325.364	4.862	50	5		EJBARN
O=[N+]([O-])c1ccccc1-c1c[nH]c(SCc2ccc(Cl)cc2)n1	ZINC000030835902	564157848	/nfs/dbraw/zinc/15/78/48/564157848.db2.gz	PQMHUSLYFKRLBI-UHFFFAOYSA-N	0	0	345.811	4.931	50	5		EJBARN
COc1ccccc1/C=C/C=C/c1nc2cc([N+](=O)[O-])ccc2s1	ZINC000058167493	564157867	/nfs/dbraw/zinc/15/78/67/564157867.db2.gz	CSVBOGHGSIISEX-DLYLGUBQSA-N	0	0	338.388	4.940	50	5		EJBARN
Cc1ccccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12	ZINC000003511764	564158600	/nfs/dbraw/zinc/15/86/00/564158600.db2.gz	CTUDYWRDLGZJTD-UHFFFAOYSA-N	0	0	344.366	4.612	50	5		EJBARN
O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCc1ccc(Cl)cc1	ZINC000003894082	564159618	/nfs/dbraw/zinc/15/96/18/564159618.db2.gz	QORFCRIBNSKVNC-UHFFFAOYSA-N	0	0	345.830	4.851	50	5		EJBARN
Cc1ccc2[nH]c(-c3cc4c(ccc5ccccc54)oc3=O)nc2c1	ZINC000008017423	564162181	/nfs/dbraw/zinc/16/21/81/564162181.db2.gz	VDMIXQJSKIUXRK-UHFFFAOYSA-N	0	0	326.355	4.798	50	5		EJBARN
C[C@@H]1CC(C)(C)C[C@@H](Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])[C@H]1C	ZINC000245226436	564168707	/nfs/dbraw/zinc/16/87/07/564168707.db2.gz	WZCPBHQNGPQOEP-MBNYWOFBSA-N	0	0	344.411	4.574	50	5		EJBARN
C[C@@H]1CC(C)(C)C[C@H](Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])[C@H]1C	ZINC000245226435	564168730	/nfs/dbraw/zinc/16/87/30/564168730.db2.gz	WZCPBHQNGPQOEP-DYEKYZERSA-N	0	0	344.411	4.574	50	5		EJBARN
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2Cl)o1	ZINC000004542682	210218015	/nfs/dbraw/zinc/21/80/15/210218015.db2.gz	PHHMKDBHHLJULZ-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
O=C(Nc1ccccc1[N+](=O)[O-])c1sc2ccccc2c1Cl	ZINC000004473807	210197308	/nfs/dbraw/zinc/19/73/08/210197308.db2.gz	LMHRXJUIZNTCCD-UHFFFAOYSA-N	0	0	332.768	4.715	50	5		EJBARN
Cc1ccccc1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000004455689	210193449	/nfs/dbraw/zinc/19/34/49/210193449.db2.gz	MHNVYACLHDHMSC-UHFFFAOYSA-N	0	0	341.245	4.574	50	5		EJBARN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003896968	210086356	/nfs/dbraw/zinc/08/63/56/210086356.db2.gz	QJJWEQVYFXSALB-AXAPSJFSSA-N	0	0	339.819	4.866	50	5	biogenic	EJBARN
O=C(Oc1cccc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003300257	210001499	/nfs/dbraw/zinc/00/14/99/210001499.db2.gz	CJISAHDXONDFJM-UHFFFAOYSA-N	0	0	327.723	4.621	50	5		EJBARN
CC[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1	ZINC000003137113	209969641	/nfs/dbraw/zinc/96/96/41/209969641.db2.gz	LXSWIXTZZJRXIN-YVEFUNNKSA-N	0	0	342.351	4.516	50	5		EJBARN
CCc1c(C)scc1-c1nnc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000017072637	201986258	/nfs/dbraw/zinc/98/62/58/201986258.db2.gz	HLBUJGICHFSJIH-UHFFFAOYSA-N	0	0	349.799	4.898	50	5		EJBARN
COc1ccc([N+](=O)[O-])cc1COc1ccc(-c2ccccc2)cc1	ZINC000002166683	209826134	/nfs/dbraw/zinc/82/61/34/209826134.db2.gz	NXPJPRIPTFANJG-UHFFFAOYSA-N	0	0	335.359	4.849	50	5		EJBARN
CCc1ccc(/C(=C2/OC(=O)c3ccccc32)[N+](=O)[O-])c2ccccc12	ZINC000001829897	209797440	/nfs/dbraw/zinc/79/74/40/209797440.db2.gz	MLYJXEUOKVFZJV-VXPUYCOJSA-N	0	0	345.354	4.675	50	5		EJBARN
Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000000617053	209680812	/nfs/dbraw/zinc/68/08/12/209680812.db2.gz	DHBRJNJUDNYDEV-UHFFFAOYSA-N	0	0	338.363	4.827	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1NCc1ncc(-c2ccc(Cl)cc2)o1	ZINC000029398656	202187259	/nfs/dbraw/zinc/18/72/59/202187259.db2.gz	FEYNMPJKMLGMNJ-UHFFFAOYSA-N	0	0	343.770	4.824	50	5		EJBARN
O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000000473348	209623259	/nfs/dbraw/zinc/62/32/59/209623259.db2.gz	IBFCVOGZWGKFOY-UHFFFAOYSA-N	0	0	326.739	4.654	50	5		EJBARN
O=[N+]([O-])c1ccc(Br)c(OCc2cccc(Cl)c2)c1	ZINC000036719642	213113606	/nfs/dbraw/zinc/11/36/06/213113606.db2.gz	KMAOZEIZOHIGCQ-UHFFFAOYSA-N	0	0	342.576	4.590	50	5		EJBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1	ZINC000000438572	209600170	/nfs/dbraw/zinc/60/01/70/209600170.db2.gz	XCVOHIVIAJOERN-FPYGCLRLSA-N	0	0	337.162	4.554	50	5		EJBARN
Clc1ccc(-c2csc3nnc4c5ccccc5nc-4n23)cc1	ZINC000000383328	209562545	/nfs/dbraw/zinc/56/25/45/209562545.db2.gz	JVJBZWQZYWPSPS-UHFFFAOYSA-N	0	0	336.807	4.764	50	5		EJBARN
O=[N+]([O-])c1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)nc1	ZINC000023296214	212366291	/nfs/dbraw/zinc/36/62/91/212366291.db2.gz	CLGXSAPVSMPBFH-UHFFFAOYSA-N	0	0	329.743	4.515	50	5		EJBARN
CC[C@@H](C)c1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	ZINC000000171593	201443027	/nfs/dbraw/zinc/44/30/27/201443027.db2.gz	NKVPZUGKXCVNQJ-GFCCVEGCSA-N	0	0	337.379	4.842	50	5		EJBARN
CCCc1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccn1	ZINC000000438623	201473902	/nfs/dbraw/zinc/47/39/02/201473902.db2.gz	FMDCVWQGLSXCRO-UHFFFAOYSA-N	0	0	325.393	4.733	50	5		EJBARN
Cc1ccc(OC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1	ZINC000000272981	201456073	/nfs/dbraw/zinc/45/60/73/201456073.db2.gz	XAVKBZYPNPFQRS-UHFFFAOYSA-N	0	0	337.331	4.691	50	5		EJBARN
Cc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000009514832	201495085	/nfs/dbraw/zinc/49/50/85/201495085.db2.gz	MVCNLWGIFHBSKE-UHFFFAOYSA-N	0	0	330.727	4.555	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2noc(-c3c(Cl)cccc3Cl)n2)c1	ZINC000000466811	201477156	/nfs/dbraw/zinc/47/71/56/201477156.db2.gz	HUMLABVMTZNBTB-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
CC[C@H](C)c1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000005666027	201658343	/nfs/dbraw/zinc/65/83/43/201658343.db2.gz	IVFBLAKCJWAHLB-ZDUSSCGKSA-N	0	0	328.368	4.857	50	5		EJBARN
CC(C)(COCc1ccccc1)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000253496183	244003373	/nfs/dbraw/zinc/00/33/73/244003373.db2.gz	QSPIMYRCLPKMBI-UHFFFAOYSA-N	0	0	342.370	4.710	50	5		EJBARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1C2CC3CC(C2)CC1C3	ZINC000004741005	206495784	/nfs/dbraw/zinc/49/57/84/206495784.db2.gz	MWFUEFWSCUWPNP-UHFFFAOYSA-N	0	0	340.345	4.850	50	5		EJBARN
C[C@H](CNc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F	ZINC000009913858	211133452	/nfs/dbraw/zinc/13/34/52/211133452.db2.gz	ZUYDFERMJXOMPJ-LLVKDONJSA-N	0	0	346.337	4.555	50	5		EJBARN
Cc1cc(C)cc(NC(=O)c2cccc3nc4ccccc4nc32)c1	ZINC000009910291	211133530	/nfs/dbraw/zinc/13/35/30/211133530.db2.gz	XHUXJUFWNVFGLJ-UHFFFAOYSA-N	0	0	327.387	4.652	50	5		EJBARN
Cc1cc2nc3c4ccccc4n(Cc4ccncc4)c3nc2cc1C	ZINC000009423624	211083164	/nfs/dbraw/zinc/08/31/64/211083164.db2.gz	TXYQBLOVIPFVFV-UHFFFAOYSA-N	0	0	338.414	4.798	50	5		EJBARN
Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccccc1C	ZINC000007813367	210851109	/nfs/dbraw/zinc/85/11/09/210851109.db2.gz	CMEUMFYTGPSUTC-UHFFFAOYSA-N	0	0	336.347	4.724	50	5		EJBARN
CCCc1nc2sc3ccccc3c(=O)c2c2nc3ccccc3n21	ZINC000005209258	210413231	/nfs/dbraw/zinc/41/32/31/210413231.db2.gz	YUWMYFIBUMUQSH-UHFFFAOYSA-N	0	0	345.427	4.563	50	5		EJBARN
Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000005092925	210387870	/nfs/dbraw/zinc/38/78/70/210387870.db2.gz	UCIQKCFQPICDBS-UHFFFAOYSA-N	0	0	344.754	4.864	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2nc(-c3ccccc3)nc3ccccc32)cc1	ZINC000005010055	210359780	/nfs/dbraw/zinc/35/97/80/210359780.db2.gz	DJJXFCMIXFLLIK-UHFFFAOYSA-N	0	0	343.342	4.997	50	5		EJBARN
CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cc([N+](=O)[O-])ccc4O[C@@]312	ZINC000004834665	210291603	/nfs/dbraw/zinc/29/16/03/210291603.db2.gz	LMVAMOSFKOFKNX-NHCUHLMSSA-N	0	0	348.402	4.659	50	5		EJBARN
Cc1cc(OC(=O)c2ccccc2)cc2c(=O)c3ccccc3sc12	ZINC000004825620	210288766	/nfs/dbraw/zinc/28/87/66/210288766.db2.gz	TWCUGAYMYKCPQM-UHFFFAOYSA-N	0	0	346.407	4.942	50	5		EJBARN
Cc1cccc([N+](=O)[O-])c1NC(=O)Oc1ccc(Cl)c(Cl)c1	ZINC000004760328	210272540	/nfs/dbraw/zinc/27/25/40/210272540.db2.gz	KICLWPUXZYGRHO-UHFFFAOYSA-N	0	0	341.150	4.821	50	5		EJBARN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1Cl	ZINC000000452493	258048132	/nfs/dbraw/zinc/04/81/32/258048132.db2.gz	VIFPHUNQOIHYJW-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=[N+]([O-])/C=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1	ZINC000000465765	258048434	/nfs/dbraw/zinc/04/84/34/258048434.db2.gz	XCVXZFRNLJKXBC-AATRIKPKSA-N	0	0	328.549	4.610	50	5		EJBARN
O=[N+]([O-])c1ccc(/C=C/c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	ZINC000002170521	258049665	/nfs/dbraw/zinc/04/96/65/258049665.db2.gz	FTESRNYERDDTDU-FNORWQNLSA-N	0	0	339.134	4.980	50	5		EJBARN
CC1=CC(C)(C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21	ZINC000000173264	135646135	/nfs/dbraw/zinc/64/61/35/135646135.db2.gz	STXFPBSHQJHYNP-UHFFFAOYSA-N	0	0	337.379	4.829	50	5		EJBARN
O=[N+]([O-])c1cc(C(F)(F)F)cc2c1sc1nc3ccccc3n21	ZINC000000306969	563278079	/nfs/dbraw/zinc/27/80/79/563278079.db2.gz	CHNZIMIKXQEXIS-UHFFFAOYSA-N	0	0	337.282	4.629	50	5		EJBARN
Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000032676075	563676835	/nfs/dbraw/zinc/67/68/35/563676835.db2.gz	LEGBVVLVAOSAKI-UHFFFAOYSA-N	0	0	346.386	4.750	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2c2cccnc12	ZINC000058189764	563939363	/nfs/dbraw/zinc/93/93/63/563939363.db2.gz	KQYBJLLZOOVNGS-UHFFFAOYSA-N	0	0	343.342	4.549	50	5		EJBARN
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004702266	563964776	/nfs/dbraw/zinc/96/47/76/563964776.db2.gz	QWFBYWVZTWTDGR-IWERZKIRSA-N	0	0	345.399	4.520	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl	ZINC000000041618	563968596	/nfs/dbraw/zinc/96/85/96/563968596.db2.gz	QNAOVPRCZMQYST-UHFFFAOYSA-N	0	0	332.768	4.715	50	5		EJBARN
CN(C)c1ccc(C(=O)Cc2nc3ccccc3c3ccccc23)cc1	ZINC000086000436	563974007	/nfs/dbraw/zinc/97/40/07/563974007.db2.gz	YXUDOLSUGNSQGS-UHFFFAOYSA-N	0	0	340.426	4.879	50	5		EJBARN
CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1	ZINC000044087594	563981244	/nfs/dbraw/zinc/98/12/44/563981244.db2.gz	BBZZWVHUZWOUGA-UHFFFAOYSA-N	0	0	345.811	4.823	50	5		EJBARN
O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000137895	563986939	/nfs/dbraw/zinc/98/69/39/563986939.db2.gz	YQHNTQDUGHPCMR-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
O=C(Nc1cccc(Cl)c1)c1cnc2c3ccccc3ccc2c1O	ZINC000000151912	563987420	/nfs/dbraw/zinc/98/74/20/563987420.db2.gz	NSVYYIXMGMBQOX-UHFFFAOYSA-N	0	0	348.789	4.587	50	5		EJBARN
COc1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C=C2C	ZINC000000173833	563987556	/nfs/dbraw/zinc/98/75/56/563987556.db2.gz	HGNURZFKFDKSOL-UHFFFAOYSA-N	0	0	338.407	4.806	50	5		EJBARN
Cc1nc(C)c(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)s1	ZINC000000190391	563988089	/nfs/dbraw/zinc/98/80/89/563988089.db2.gz	MXCVVVMUIZWHMS-UHFFFAOYSA-N	0	0	332.410	4.535	50	5		EJBARN
CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000271907	563990066	/nfs/dbraw/zinc/99/00/66/563990066.db2.gz	YIIDQSLHQHNHIJ-UHFFFAOYSA-N	0	0	346.814	4.689	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2)o1	ZINC000000276712	563990074	/nfs/dbraw/zinc/99/00/74/563990074.db2.gz	FIXLGZXGIXSMRW-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-]	ZINC000000272872	563990095	/nfs/dbraw/zinc/99/00/95/563990095.db2.gz	MWQRMSVWLOPBAD-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
Nc1c2cc3c(nc2sc1-c1ccc([N+](=O)[O-])cc1)CCCCC3	ZINC000000293615	563990286	/nfs/dbraw/zinc/99/02/86/563990286.db2.gz	QCORTUWTETYBNX-UHFFFAOYSA-N	0	0	339.420	4.723	50	5		EJBARN
O=C(Nc1ccccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000000312803	563990919	/nfs/dbraw/zinc/99/09/19/563990919.db2.gz	WPEFRVLFTSYXQL-UHFFFAOYSA-N	0	0	334.331	4.639	50	5		EJBARN
O=C(Oc1ccccc1[N+](=O)[O-])c1sc2ccccc2c1Cl	ZINC000000358728	563991499	/nfs/dbraw/zinc/99/14/99/563991499.db2.gz	AMBLGWWFNAMRQO-UHFFFAOYSA-N	0	0	333.752	4.682	50	5		EJBARN
C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000024270404	563999512	/nfs/dbraw/zinc/99/95/12/563999512.db2.gz	AJQFEBNKQCMOEK-LLVKDONJSA-N	0	0	343.383	4.977	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2ccc(Br)c3cccnc23)cc1	ZINC000000444363	563999574	/nfs/dbraw/zinc/99/95/74/563999574.db2.gz	KFZTUZKLWSIIPW-UHFFFAOYSA-N	0	0	345.152	4.698	50	5		EJBARN
Nc1cc(Oc2cccc(Cl)c2Cl)c(Cl)cc1[N+](=O)[O-]	ZINC000034277348	564004663	/nfs/dbraw/zinc/00/46/63/564004663.db2.gz	WZFITXMPNXRORE-UHFFFAOYSA-N	0	0	333.558	4.930	50	5		EJBARN
O=c1cc(-c2ccc3c(c2)OCCCO3)oc2c3ccccc3ccc12	ZINC000000518799	564020508	/nfs/dbraw/zinc/02/05/08/564020508.db2.gz	LLHBDIAOJJINAC-UHFFFAOYSA-N	0	0	344.366	4.775	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Nc3ccccc3)n2)c1	ZINC000000521704	564021049	/nfs/dbraw/zinc/02/10/49/564021049.db2.gz	QNHCTMQBLHQUKH-UHFFFAOYSA-N	0	0	342.358	4.949	50	5		EJBARN
CCc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000000535775	564021464	/nfs/dbraw/zinc/02/14/64/564021464.db2.gz	MIRYQSDWLDZEDL-UHFFFAOYSA-N	0	0	336.347	4.670	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)c1	ZINC000000548945	564022453	/nfs/dbraw/zinc/02/24/53/564022453.db2.gz	PKROBRPKPYNQHD-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
O=[N+]([O-])c1cccc(Oc2ccnc3cc(C(F)(F)F)ccc32)c1	ZINC000000712184	564033868	/nfs/dbraw/zinc/03/38/68/564033868.db2.gz	OEFTXPYQGWPOKL-UHFFFAOYSA-N	0	0	334.253	4.954	50	5		EJBARN
O=[N+]([O-])c1ccccc1-c1nc2ccccc2c(-c2ccccc2)n1	ZINC000001022263	564054108	/nfs/dbraw/zinc/05/41/08/564054108.db2.gz	PUVFHGOPESKRKW-UHFFFAOYSA-N	0	0	327.343	4.872	50	5		EJBARN
Cc1ccc(C(=O)Nc2ccc3sc4ccccc4c(=O)c3c2)cc1	ZINC000005928660	564057037	/nfs/dbraw/zinc/05/70/37/564057037.db2.gz	JJRPOQMKZSKPAZ-UHFFFAOYSA-N	0	0	345.423	4.975	50	5		EJBARN
Cc1c(NC(=S)Nc2ccccc2C(C)C)cccc1[N+](=O)[O-]	ZINC000005939847	564057158	/nfs/dbraw/zinc/05/71/58/564057158.db2.gz	QGJSTXVEZFNOHY-UHFFFAOYSA-N	0	0	329.425	4.836	50	5		EJBARN
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003897726	564057846	/nfs/dbraw/zinc/05/78/46/564057846.db2.gz	VCXMBIHSCGPENR-NORZTCDRSA-N	0	0	339.819	4.866	50	5		EJBARN
O=[N+]([O-])c1ccc(N[C@@H](c2c[nH]c3ccccc32)c2ccccn2)cc1	ZINC000004058917	564061738	/nfs/dbraw/zinc/06/17/38/564061738.db2.gz	RXEVGBKQCCLCDV-FQEVSTJZSA-N	0	0	344.374	4.673	50	5		EJBARN
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000012852983	564075404	/nfs/dbraw/zinc/07/54/04/564075404.db2.gz	TXNATSCGZGGKHA-OAHLLOKOSA-N	0	0	346.386	4.753	50	5		EJBARN
O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccc([N+](=O)[O-])cc1	ZINC000001518396	564075757	/nfs/dbraw/zinc/07/57/57/564075757.db2.gz	MBZZTABONQATFW-UHFFFAOYSA-N	0	0	349.371	4.610	50	5		EJBARN
O=[N+]([O-])c1cc(CN(CCC(F)(F)F)C2CCCCC2)cs1	ZINC000075108877	564080238	/nfs/dbraw/zinc/08/02/38/564080238.db2.gz	WEWOXGSHTBYUCR-UHFFFAOYSA-N	0	0	336.379	4.743	50	5		EJBARN
O=C(Nc1nc2ccccc2s1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000001574615	564081650	/nfs/dbraw/zinc/08/16/50/564081650.db2.gz	JOTYYZZVRLAFOZ-UHFFFAOYSA-N	0	0	348.771	4.502	50	5		EJBARN
COc1ccc(SC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000001753328	564087221	/nfs/dbraw/zinc/08/72/21/564087221.db2.gz	KZMWXRSLFOOREU-UHFFFAOYSA-N	0	0	338.772	4.581	50	5		EJBARN
COc1ccc(COc2cc(C)c3c(c2)oc(=O)c2ccccc23)cc1	ZINC000002812139	564090631	/nfs/dbraw/zinc/09/06/31/564090631.db2.gz	QPMJEJYNJALXCN-UHFFFAOYSA-N	0	0	346.382	4.842	50	5	biogenic	EJBARN
O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c2ncccc12	ZINC000006584380	564092230	/nfs/dbraw/zinc/09/22/30/564092230.db2.gz	HXGIBLMSVYCAOT-UHFFFAOYSA-N	0	0	339.401	4.904	50	5		EJBARN
COc1ccccc1C(=O)OCc1nc2ccccc2c2ccccc12	ZINC000006607782	564093228	/nfs/dbraw/zinc/09/32/28/564093228.db2.gz	NPCJCAIJZUJKOL-UHFFFAOYSA-N	0	0	343.382	4.754	50	5		EJBARN
Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	ZINC000006923988	564101489	/nfs/dbraw/zinc/10/14/89/564101489.db2.gz	FBVJBQQHWDBHNV-UHFFFAOYSA-N	0	0	339.273	4.566	50	5		EJBARN
O=C(Nc1cccc(Cl)c1Cl)Nc1ccccc1[N+](=O)[O-]	ZINC000006938159	564101882	/nfs/dbraw/zinc/10/18/82/564101882.db2.gz	ONABJRLDWSZBQA-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
C[C@H](Sc1ncc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1	ZINC000007179209	564105591	/nfs/dbraw/zinc/10/55/91/564105591.db2.gz	XNNJJLZYPUTPQW-ZDUSSCGKSA-N	0	0	339.420	4.849	50	5		EJBARN
Cc1ccc(-c2nc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000007455695	564108619	/nfs/dbraw/zinc/10/86/19/564108619.db2.gz	FFTAAKOBZBWRAO-LBPRGKRZSA-N	0	0	340.408	4.542	50	5		EJBARN
O=C(Cc1cc2c(ccc3ccccc32)oc1=O)c1ccc(F)cc1	ZINC000001051396	564116789	/nfs/dbraw/zinc/11/67/89/564116789.db2.gz	UXDKIJFIGDZKIL-UHFFFAOYSA-N	0	0	332.330	4.511	50	5		EJBARN
CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000002156209	564119498	/nfs/dbraw/zinc/11/94/98/564119498.db2.gz	QQQVIFLKFBMOQI-UHFFFAOYSA-N	0	0	332.787	4.798	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(Cl)ccc1Cl	ZINC000002156343	564119505	/nfs/dbraw/zinc/11/95/05/564119505.db2.gz	HQEYHEZWULPSTO-UHFFFAOYSA-N	0	0	340.166	4.854	50	5		EJBARN
C[C@H](c1ccccc1)[C@H](C)OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002166275	564120196	/nfs/dbraw/zinc/12/01/96/564120196.db2.gz	WVQFLVUVBIPBSO-RYUDHWBXSA-N	0	0	348.380	4.719	50	5		EJBARN
O=[N+]([O-])c1ccccc1OCc1nc2ccccc2c2ccccc12	ZINC000007779939	564123117	/nfs/dbraw/zinc/12/31/17/564123117.db2.gz	BAXCPEQJJRKLQM-UHFFFAOYSA-N	0	0	330.343	4.875	50	5		EJBARN
CC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000002380795	564134053	/nfs/dbraw/zinc/13/40/53/564134053.db2.gz	VBLACFVBSWNRSL-UHFFFAOYSA-N	0	0	325.242	4.609	50	5		EJBARN
CC(C)(C)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000002597263	564151098	/nfs/dbraw/zinc/15/10/98/564151098.db2.gz	WJLWAMHSDWVEHN-UHFFFAOYSA-N	0	0	333.771	4.765	50	5		EJBARN
C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000002648342	564151838	/nfs/dbraw/zinc/15/18/38/564151838.db2.gz	HZSIHOXGCHSICV-CYBMUJFWSA-N	0	0	326.396	4.635	50	5		EJBARN
Cc1noc(/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1[N+](=O)[O-]	ZINC000003125446	564155271	/nfs/dbraw/zinc/15/52/71/564155271.db2.gz	ONKRVSHGMGBFGK-VQHVLOKHSA-N	0	0	330.727	4.975	50	5		EJBARN
Cc1noc(/C=C/c2ccc(-c3cccc(Cl)c3)o2)c1[N+](=O)[O-]	ZINC000003125448	564155298	/nfs/dbraw/zinc/15/52/98/564155298.db2.gz	OGXVUGWYTQYERN-SOFGYWHQSA-N	0	0	330.727	4.975	50	5		EJBARN
CC[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1	ZINC000003137114	564155367	/nfs/dbraw/zinc/15/53/67/564155367.db2.gz	LXSWIXTZZJRXIN-PXAZEXFGSA-N	0	0	342.351	4.516	50	5		EJBARN
Cc1sc2ncnc(Oc3ccc([N+](=O)[O-])cc3Cl)c2c1C	ZINC000003299967	564157168	/nfs/dbraw/zinc/15/71/68/564157168.db2.gz	FQJDNOOTBKFXQQ-UHFFFAOYSA-N	0	0	335.772	4.662	50	5		EJBARN
C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000058201822	564158073	/nfs/dbraw/zinc/15/80/73/564158073.db2.gz	PRSOBFTVKCFROP-JTQLQIEISA-N	0	0	329.306	4.594	50	5		EJBARN
Cc1cccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1	ZINC000003513948	564158606	/nfs/dbraw/zinc/15/86/06/564158606.db2.gz	SPSPISFQZIIIJQ-UHFFFAOYSA-N	0	0	344.366	4.612	50	5		EJBARN
Cc1nc(SCc2cccc([N+](=O)[O-])c2C)n(CC(C)C)c1C	ZINC000059124200	564160605	/nfs/dbraw/zinc/16/06/05/564160605.db2.gz	RGLIADFUIHVEDW-UHFFFAOYSA-N	0	0	333.457	4.665	50	5		EJBARN
Cc1cccc(NC(=O)c2ccccc2-c2ccccc2[N+](=O)[O-])c1	ZINC000008473522	564165367	/nfs/dbraw/zinc/16/53/67/564165367.db2.gz	UGNFEHBUDBGZIV-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
C[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F	ZINC000009745466	564174599	/nfs/dbraw/zinc/17/45/99/564174599.db2.gz	ZUYDFERMJXOMPJ-NSHDSACASA-N	0	0	346.337	4.555	50	5		EJBARN
O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000004842389	568416426	/nfs/dbraw/zinc/41/64/26/568416426.db2.gz	VVNQKAPOOYFKFH-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
Cc1ccc(NC(=S)Nc2cccc3ccccc32)c([N+](=O)[O-])c1	ZINC000017070894	568423343	/nfs/dbraw/zinc/42/33/43/568423343.db2.gz	WFENPZSRNMXSHH-UHFFFAOYSA-N	0	0	337.404	4.865	50	5		EJBARN
O=[N+]([O-])c1cc(CN2CCC[C@@H]2c2nc3ccccc3s2)cs1	ZINC000054152783	214220888	/nfs/dbraw/zinc/22/08/88/214220888.db2.gz	ZNWKWILJGGWHAQ-CYBMUJFWSA-N	0	0	345.449	4.603	50	5		EJBARN
O=[N+]([O-])c1cc(CN2CCC[C@H]2c2nc3ccccc3s2)cs1	ZINC000054152782	214220921	/nfs/dbraw/zinc/22/09/21/214220921.db2.gz	ZNWKWILJGGWHAQ-ZDUSSCGKSA-N	0	0	345.449	4.603	50	5		EJBARN
CN(C(=O)c1cc2ccccc2c2cccnc12)c1ccc(F)cc1	ZINC000055751289	214340431	/nfs/dbraw/zinc/34/04/31/214340431.db2.gz	AAETWVINSRHBHP-UHFFFAOYSA-N	0	0	330.362	4.804	50	5		EJBARN
O=[N+]([O-])c1cccc2ccc(/C=C/c3cccc(OC(F)F)c3)nc21	ZINC000060822070	214648772	/nfs/dbraw/zinc/64/87/72/214648772.db2.gz	DCRMDOHOFQDBLB-VQHVLOKHSA-N	0	0	342.301	4.915	50	5		EJBARN
O=[N+]([O-])c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1	ZINC000004336648	210174342	/nfs/dbraw/zinc/17/43/42/210174342.db2.gz	OISCBHHURZLAMT-OAQYLSRUSA-N	0	0	343.386	4.951	50	5		EJBARN
O=[N+]([O-])c1ccc2nc3c(c(Nc4ccccc4F)c2c1)CCCC3	ZINC000004192764	210142026	/nfs/dbraw/zinc/14/20/26/210142026.db2.gz	XSYHNXVRXJWXTA-UHFFFAOYSA-N	0	0	337.354	4.905	50	5		EJBARN
O=[N+]([O-])c1c2nonc2ccc1Nc1ccc(-c2ccccc2)cc1	ZINC000004126577	210127411	/nfs/dbraw/zinc/12/74/11/210127411.db2.gz	PWYKBPUFRJUWDB-UHFFFAOYSA-N	0	0	332.319	4.542	50	5		EJBARN
Cc1ccc(S[C@H](C)c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1	ZINC000002880130	209934808	/nfs/dbraw/zinc/93/48/08/209934808.db2.gz	PLSFOAHKIWOHMU-GFCCVEGCSA-N	0	0	341.392	4.807	50	5		EJBARN
CC(=O)c1ccc(-c2ccc(C=Cc3onc(C)c3[N+](=O)[O-])o2)cc1	ZINC000016249581	201973170	/nfs/dbraw/zinc/97/31/70/201973170.db2.gz	XQPDPRKCUMHSEL-NTMALXAHSA-N	0	0	338.319	4.524	50	5		EJBARN
C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	ZINC000002648358	209884421	/nfs/dbraw/zinc/88/44/21/209884421.db2.gz	NGSDUCKIGINBOY-SECBINFHSA-N	0	0	339.178	4.644	50	5		EJBARN
CC(=O)c1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1	ZINC000040105218	213265009	/nfs/dbraw/zinc/26/50/09/213265009.db2.gz	DPCMMTVGUGJTGP-UHFFFAOYSA-N	0	0	340.382	4.843	50	5		EJBARN
Cc1c(NC(=O)Nc2cccc(Cl)c2Cl)cccc1[N+](=O)[O-]	ZINC000000610368	209675202	/nfs/dbraw/zinc/67/52/02/209675202.db2.gz	GTRSAYRLXXXHCB-UHFFFAOYSA-N	0	0	340.166	4.854	50	5		EJBARN
Cc1c(C(=O)OCc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-]	ZINC000000515378	209643902	/nfs/dbraw/zinc/64/39/02/209643902.db2.gz	JVNXEOMSJGVTGS-UHFFFAOYSA-N	0	0	327.380	4.558	50	5		EJBARN
Cc1c(OC(=O)C2CCCCC2)ccc2c3ccccc3c(=O)oc12	ZINC000000457659	209613073	/nfs/dbraw/zinc/61/30/73/209613073.db2.gz	OIVMYGYADRGDOM-UHFFFAOYSA-N	0	0	336.387	4.740	50	5		EJBARN
Cc1cccn2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc12	ZINC000000244926	209502501	/nfs/dbraw/zinc/50/25/01/209502501.db2.gz	DQUOAULLWYZNBQ-UHFFFAOYSA-N	0	0	326.355	4.569	50	5		EJBARN
CC1=CC[C@H](C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000000195276	209477401	/nfs/dbraw/zinc/47/74/01/209477401.db2.gz	PABWAFBCJHTSHO-OALUTQOASA-N	0	0	336.391	4.673	50	5		EJBARN
Cc1cc(C)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000000145274	209449003	/nfs/dbraw/zinc/44/90/03/209449003.db2.gz	NAIVELYYMSLVHG-VOTSOKGWSA-N	0	0	330.771	4.517	50	5		EJBARN
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000000067831	209398247	/nfs/dbraw/zinc/39/82/47/209398247.db2.gz	LRMNCQFYCWKCJA-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=[N+]([O-])c1ccc(/C=C(\Cl)c2nnc(-c3ccc(F)cc3)o2)cc1	ZINC000006535559	201057672	/nfs/dbraw/zinc/05/76/72/201057672.db2.gz	SJAPRXBLZURDLG-ZROIWOOFSA-N	0	0	345.717	4.521	50	5		EJBARN
COc1ccccc1[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000008132113	201363009	/nfs/dbraw/zinc/36/30/09/201363009.db2.gz	KPTRIQVGZMHOBE-JTQLQIEISA-N	0	0	340.301	4.795	50	5		EJBARN
Cc1ccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000000315099	201459893	/nfs/dbraw/zinc/45/98/93/201459893.db2.gz	XPPKYEZYZOCEKI-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1Cl	ZINC000000437943	201473731	/nfs/dbraw/zinc/47/37/31/201473731.db2.gz	VAPLXPZFIFRIAU-FPYGCLRLSA-N	0	0	337.162	4.554	50	5		EJBARN
CC(C)(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cc1	ZINC000022015540	212269993	/nfs/dbraw/zinc/26/99/93/212269993.db2.gz	GCXMUDMHRSBJEH-UHFFFAOYSA-N	0	0	346.814	4.689	50	5		EJBARN
C[C@H](Nc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000003878824	201582704	/nfs/dbraw/zinc/58/27/04/201582704.db2.gz	RFANQQXGARXPKX-LBPRGKRZSA-N	0	0	337.335	4.829	50	5		EJBARN
O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1	ZINC000004257510	201595345	/nfs/dbraw/zinc/59/53/45/201595345.db2.gz	UXFPLSBIOXIXNJ-OAQYLSRUSA-N	0	0	343.386	4.951	50	5		EJBARN
CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000005825341	205778560	/nfs/dbraw/zinc/77/85/60/205778560.db2.gz	ZQPSVSUYGWVRNY-WDZFZDKYSA-N	0	0	342.370	4.683	50	5		EJBARN
Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000140359	206208572	/nfs/dbraw/zinc/20/85/72/206208572.db2.gz	ZHKTYZBAVOLZLF-UHFFFAOYSA-N	0	0	332.787	4.932	50	5		EJBARN
O=C(Nc1ccccc1Cl)c1cccc2nc3ccccc3nc21	ZINC000009910310	211133251	/nfs/dbraw/zinc/13/32/51/211133251.db2.gz	JVOQQWSFYVWPAH-UHFFFAOYSA-N	0	0	333.778	4.689	50	5		EJBARN
Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000005028180	210367444	/nfs/dbraw/zinc/36/74/44/210367444.db2.gz	FQGRDMFZWWXJHV-UHFFFAOYSA-N	0	0	348.717	4.694	50	5		EJBARN
O=C(Cc1ccccc1[N+](=O)[O-])NC1CCCCCCCCCCC1	ZINC000004914075	210320462	/nfs/dbraw/zinc/32/04/62/210320462.db2.gz	HETMAHBBKLJSPT-UHFFFAOYSA-N	0	0	346.471	4.927	50	5		EJBARN
C[C@@]12CCCC[C@]13Oc1ccc([N+](=O)[O-])cc1CN3c1ccccc12	ZINC000004817388	210286094	/nfs/dbraw/zinc/28/60/94/210286094.db2.gz	ZECWOPIXKZIXBD-PMACEKPBSA-N	0	0	336.391	4.535	50	5		EJBARN
CN1c2ccccc2[C@]2(C)CCCC3=Cc4cc([N+](=O)[O-])ccc4O[C@]312	ZINC000004834662	210291855	/nfs/dbraw/zinc/29/18/55/210291855.db2.gz	LMVAMOSFKOFKNX-SFTDATJTSA-N	0	0	348.402	4.659	50	5		EJBARN
Cc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C	ZINC000002997646	258050273	/nfs/dbraw/zinc/05/02/73/258050273.db2.gz	HULJAUCPGFTAFY-UHFFFAOYSA-N	0	0	336.347	4.724	50	5		EJBARN
CCn1c2ccc(Br)cc2c2nc3ccccc3nc21	ZINC000000092339	563222795	/nfs/dbraw/zinc/22/27/95/563222795.db2.gz	FDVFUOAGKOCQKN-UHFFFAOYSA-N	0	0	326.197	4.520	50	5		EJBARN
Cn1c(-c2ccc(C=O)o2)nc2c1c1ccccc1c1ccccc21	ZINC000000348745	563288716	/nfs/dbraw/zinc/28/87/16/563288716.db2.gz	CTUAPMXFGSLMCY-UHFFFAOYSA-N	0	0	326.355	4.952	50	5		EJBARN
Cc1c(NC(=O)Nc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-]	ZINC000000610779	563353680	/nfs/dbraw/zinc/35/36/80/563353680.db2.gz	YXIDXIAONQOABE-UHFFFAOYSA-N	0	0	339.273	4.566	50	5		EJBARN
O=c1c(-c2ccccc2)c(O)cc2c3ccccc3c3ccccc3n12	ZINC000006557695	563572437	/nfs/dbraw/zinc/57/24/37/563572437.db2.gz	BGTVBUJMADCTMX-UHFFFAOYSA-N	0	0	337.378	4.979	50	5		EJBARN
O=[N+]([O-])c1cc(Cl)ccc1N1CCC(Cc2ccccc2)CC1	ZINC000004719334	563966038	/nfs/dbraw/zinc/96/60/38/563966038.db2.gz	AXDXKVUCVCALRN-UHFFFAOYSA-N	0	0	330.815	4.707	50	5		EJBARN
Cc1cc(OCC(=O)c2ccccc2)cc2oc(=O)c3ccccc3c12	ZINC000004747442	563973034	/nfs/dbraw/zinc/97/30/34/563973034.db2.gz	ORMSPTINNWGSKQ-UHFFFAOYSA-N	0	0	344.366	4.516	50	5		EJBARN
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000102987	563982190	/nfs/dbraw/zinc/98/21/90/563982190.db2.gz	FRGRXFABEOMSAV-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c1	ZINC000000180532	563987859	/nfs/dbraw/zinc/98/78/59/563987859.db2.gz	ATSLZVJHSUBPPB-UHFFFAOYSA-N	0	0	329.355	4.507	50	5		EJBARN
CCc1cccc(C)c1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000310155	563990955	/nfs/dbraw/zinc/99/09/55/563990955.db2.gz	USGYAHZBTFSHBJ-CSKARUKUSA-N	0	0	344.798	4.771	50	5		EJBARN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000000339710	563991271	/nfs/dbraw/zinc/99/12/71/563991271.db2.gz	RCKWHPOEPPUNMN-UHFFFAOYSA-N	0	0	342.203	4.877	50	5		EJBARN
O=[N+]([O-])c1ccc(OCc2coc(-c3ccc(F)cc3)n2)c(Cl)c1	ZINC000024226627	563998150	/nfs/dbraw/zinc/99/81/50/563998150.db2.gz	DPLYGCUIKLYWLD-UHFFFAOYSA-N	0	0	348.717	4.621	50	5		EJBARN
CCCCCC(=O)Nc1ccc(NC(=O)CCCCC)c([N+](=O)[O-])c1	ZINC000005308418	564002482	/nfs/dbraw/zinc/00/24/82/564002482.db2.gz	GIPHADNULFWWKH-UHFFFAOYSA-N	0	0	349.431	4.632	50	5		EJBARN
Cc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)cc1	ZINC000005330815	564002716	/nfs/dbraw/zinc/00/27/16/564002716.db2.gz	IXXPRONZBJMRAD-UHFFFAOYSA-N	0	0	349.394	4.797	50	5		EJBARN
O=C(Nc1ccccc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000537978	564022068	/nfs/dbraw/zinc/02/20/68/564022068.db2.gz	CRGIQYAYJHAAHC-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c([N+](=O)[O-])c1	ZINC000046018451	564029290	/nfs/dbraw/zinc/02/92/90/564029290.db2.gz	XHMBCSWYHTVEPU-QGZVFWFLSA-N	0	0	339.395	4.581	50	5		EJBARN
O=C(/C=C/c1ccco1)OCc1nc2ccccc2c2ccccc12	ZINC000006607785	564033256	/nfs/dbraw/zinc/03/32/56/564033256.db2.gz	WPTYGWGENZGPRT-VAWYXSNFSA-N	0	0	329.355	4.738	50	5		EJBARN
Cc1cc2oc3ccccc3c(=O)c2cc1C(=O)OCc1ccccc1	ZINC000063115289	564056583	/nfs/dbraw/zinc/05/65/83/564056583.db2.gz	NIHUNFHWAMEVHQ-UHFFFAOYSA-N	0	0	344.366	4.612	50	5		EJBARN
O=[N+]([O-])c1cc(Cl)ccc1OCc1cc(F)cc2cccnc21	ZINC000031609002	564057831	/nfs/dbraw/zinc/05/78/31/564057831.db2.gz	IOWCTTBBAOTZBN-UHFFFAOYSA-N	0	0	332.718	4.515	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000001403827	564064927	/nfs/dbraw/zinc/06/49/27/564064927.db2.gz	VYZJNXRLOHFPQZ-UHFFFAOYSA-N	0	0	332.768	4.715	50	5		EJBARN
O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccco2)cc1	ZINC000075279904	564081466	/nfs/dbraw/zinc/08/14/66/564081466.db2.gz	VWUSOWGFGKXROR-GOSISDBHSA-N	0	0	333.347	4.544	50	5		EJBARN
O=[N+]([O-])c1ccc(N[C@H](c2cc3ccccc3o2)c2ccccc2)nc1	ZINC000013022604	564086909	/nfs/dbraw/zinc/08/69/09/564086909.db2.gz	KFBDATODSOTXCJ-FQEVSTJZSA-N	0	0	345.358	4.938	50	5		EJBARN
C[C@H]1CCc2c(sc3ncnc(Oc4ccc([N+](=O)[O-])cc4)c32)C1	ZINC000006455814	564087850	/nfs/dbraw/zinc/08/78/50/564087850.db2.gz	RUVGSDCPBASYFD-JTQLQIEISA-N	0	0	341.392	4.517	50	5		EJBARN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)C=Cc1cc3ccccc3cc1O2	ZINC000016545893	564089738	/nfs/dbraw/zinc/08/97/38/564089738.db2.gz	VNNBIAMLMNUTLN-UHFFFAOYSA-N	0	0	334.287	4.932	50	5		EJBARN
C[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)c1ccccc1	ZINC000002056479	564093478	/nfs/dbraw/zinc/09/34/78/564093478.db2.gz	XIIABVOOWCPZQR-HUUCEWRRSA-N	0	0	327.380	4.582	50	5		EJBARN
Clc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000006392689	564117382	/nfs/dbraw/zinc/11/73/82/564117382.db2.gz	VWQCKBPJSRTLEJ-UHFFFAOYSA-N	0	0	330.778	4.980	50	5		EJBARN
C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000002648356	564151696	/nfs/dbraw/zinc/15/16/96/564151696.db2.gz	YJHLPIYOMFQSHP-SECBINFHSA-N	0	0	339.178	4.644	50	5		EJBARN
CC[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1	ZINC000003137115	564155345	/nfs/dbraw/zinc/15/53/45/564155345.db2.gz	LXSWIXTZZJRXIN-SJKOYZFVSA-N	0	0	342.351	4.516	50	5		EJBARN
O=[N+]([O-])c1ccc(Cl)nc1NCCc1c(Cl)cccc1Cl	ZINC000670429345	564155359	/nfs/dbraw/zinc/15/53/59/564155359.db2.gz	GNRYAVPSCMVTPP-UHFFFAOYSA-N	0	0	346.601	4.605	50	5		EJBARN
O=C(CC1CCCC1)OCc1cc(=O)oc2ccc3ccccc3c12	ZINC000003500289	564158495	/nfs/dbraw/zinc/15/84/95/564158495.db2.gz	HXEOYCKIHHPWDR-UHFFFAOYSA-N	0	0	336.387	4.570	50	5		EJBARN
Cc1ccc(-c2ccc(C(=O)Nc3ccccc3F)o2)c([N+](=O)[O-])c1	ZINC000008020315	564162210	/nfs/dbraw/zinc/16/22/10/564162210.db2.gz	IEBFBCNIEJFKFW-UHFFFAOYSA-N	0	0	340.310	4.555	50	5		EJBARN
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]21	ZINC000245238542	564168787	/nfs/dbraw/zinc/16/87/87/564168787.db2.gz	TVPSUVVLKOFAJS-HIVMJAFUSA-N	0	0	340.423	4.862	50	5		EJBARN
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1cccc2ccccc12	ZINC000004616784	210231587	/nfs/dbraw/zinc/23/15/87/210231587.db2.gz	GSDAWEDLXVQLHJ-FMIVXFBMSA-N	0	0	332.359	4.708	50	5		EJBARN
O=C(/C=C/c1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F	ZINC000004523859	210213924	/nfs/dbraw/zinc/21/39/24/210213924.db2.gz	QSCZBWMNTPXUOW-DHZHZOJOSA-N	0	0	336.322	4.539	50	5		EJBARN
O=[N+]([O-])c1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1	ZINC000004336647	210175071	/nfs/dbraw/zinc/17/50/71/210175071.db2.gz	OISCBHHURZLAMT-NRFANRHFSA-N	0	0	343.386	4.951	50	5		EJBARN
O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc([N+](=O)[O-])c1	ZINC000004322718	210170149	/nfs/dbraw/zinc/17/01/49/210170149.db2.gz	BTMRRAJNHSCHHJ-UHFFFAOYSA-N	0	0	332.315	4.747	50	5		EJBARN
COc1ccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3C)n2)cc1	ZINC000004049857	210108134	/nfs/dbraw/zinc/10/81/34/210108134.db2.gz	PUYHNGJJEWPKAK-UHFFFAOYSA-N	0	0	341.392	4.779	50	5		EJBARN
CCCCCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21	ZINC000003893123	210085369	/nfs/dbraw/zinc/08/53/69/210085369.db2.gz	LUNRRLZVJCBSGS-UHFFFAOYSA-N	0	0	349.434	4.945	50	5		EJBARN
CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(C)cc1	ZINC000044085523	213608054	/nfs/dbraw/zinc/60/80/54/213608054.db2.gz	PGLJUPJWYLOBDB-UHFFFAOYSA-N	0	0	339.420	4.868	50	5		EJBARN
Cc1ccc(C(C)C)c(OC(=O)Cc2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000003199873	209976265	/nfs/dbraw/zinc/97/62/65/209976265.db2.gz	VPTNTLSGJHERSJ-UHFFFAOYSA-N	0	0	347.798	4.828	50	5		EJBARN
CC(=O)c1ccc(-c2ccc(C=Cc3onc(C)c3[N+](=O)[O-])o2)cc1	ZINC000002886449	209936541	/nfs/dbraw/zinc/93/65/41/209936541.db2.gz	XQPDPRKCUMHSEL-CSKARUKUSA-N	0	0	338.319	4.524	50	5		EJBARN
Cc1cccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)c1	ZINC000002159526	209825673	/nfs/dbraw/zinc/82/56/73/209825673.db2.gz	MGCDRAFHPDEFNG-UHFFFAOYSA-N	0	0	343.382	4.611	50	5	biogenic	EJBARN
Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000036620471	213105179	/nfs/dbraw/zinc/10/51/79/213105179.db2.gz	QRYLMUDEZYDANR-SFHVURJKSA-N	0	0	339.395	4.581	50	5		EJBARN
O=[N+]([O-])c1ccc(/C=C(/Cl)c2nnc(-c3ccc(F)cc3)o2)cc1	ZINC000033528124	212953675	/nfs/dbraw/zinc/95/36/75/212953675.db2.gz	SJAPRXBLZURDLG-NTEUORMPSA-N	0	0	345.717	4.521	50	5		EJBARN
O=[N+]([O-])c1ccc(N[C@H](c2cccs2)c2ccccc2)c(F)c1	ZINC000032923375	212872561	/nfs/dbraw/zinc/87/25/61/212872561.db2.gz	HEXPPSVZGQSSRJ-KRWDZBQOSA-N	0	0	328.368	4.997	50	5		EJBARN
CC(=O)Oc1cccc2c1ccc1c(-c3ccccc3)cc(=O)oc21	ZINC000000408520	209573150	/nfs/dbraw/zinc/57/31/50/209573150.db2.gz	IORREJMDMAZPMP-UHFFFAOYSA-N	0	0	330.339	4.539	50	5		EJBARN
Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C(C)C	ZINC000000238990	209499520	/nfs/dbraw/zinc/49/95/20/209499520.db2.gz	GNBQLQOGRFVUPT-UHFFFAOYSA-N	0	0	333.771	4.899	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000149954	209453117	/nfs/dbraw/zinc/45/31/17/209453117.db2.gz	KJQYZRJYXCPAPJ-UHFFFAOYSA-N	0	0	340.166	4.854	50	5		EJBARN
O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cs1	ZINC000000108649	209426985	/nfs/dbraw/zinc/42/69/85/209426985.db2.gz	JEVUKFZGMPMRIA-UHFFFAOYSA-N	0	0	342.163	4.680	50	5		EJBARN
COc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1OC	ZINC000000057673	209393106	/nfs/dbraw/zinc/39/31/06/209393106.db2.gz	QDZQDIUUJDAORK-UHFFFAOYSA-N	0	0	332.355	4.630	50	5	in-vitro	EJBARN
Cc1nc(-c2ccc([C@@H](C)Nc3ncccc3[N+](=O)[O-])cc2)cs1	ZINC000024828488	212441088	/nfs/dbraw/zinc/44/10/88/212441088.db2.gz	LRENLZNGFSSBMF-LLVKDONJSA-N	0	0	340.408	4.595	50	5		EJBARN
O=[N+]([O-])c1cccnc1N[C@H](c1ccccc1)c1ccc(Cl)cc1	ZINC000022815742	212326911	/nfs/dbraw/zinc/32/69/11/212326911.db2.gz	PPMBXGUQUPSYME-QGZVFWFLSA-N	0	0	339.782	4.845	50	5		EJBARN
O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1	ZINC000000144764	201440232	/nfs/dbraw/zinc/44/02/32/201440232.db2.gz	RCABTWOEVNTODW-LJQANCHMSA-N	0	0	342.358	4.584	50	5		EJBARN
Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000307400	201459105	/nfs/dbraw/zinc/45/91/05/201459105.db2.gz	APOPOFGEIAOQJO-ACCUITESSA-N	0	0	348.358	4.815	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1	ZINC000001395220	201505301	/nfs/dbraw/zinc/50/53/01/201505301.db2.gz	UBGAMGPBGRAUFQ-UHFFFAOYSA-N	0	0	341.676	4.582	50	5		EJBARN
Cc1cc2ccccn2c1[C@@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000003206094	201560058	/nfs/dbraw/zinc/56/00/58/201560058.db2.gz	XBQZWFCWPRCJNB-INIZCTEOSA-N	0	0	348.324	4.675	50	5		EJBARN
Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)csc1-c1ccccc1	ZINC000004844616	201622839	/nfs/dbraw/zinc/62/28/39/201622839.db2.gz	JOYABWHAFKTPML-UHFFFAOYSA-N	0	0	338.388	4.884	50	5		EJBARN
CC(C)c1ccc(O[C@@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1	ZINC000076555406	216791616	/nfs/dbraw/zinc/79/16/16/216791616.db2.gz	XPQHLHQMJASBNO-LBPRGKRZSA-N	0	0	325.368	4.735	50	5		EJBARN
COc1cc2c(C)c3cc(OC)c(OC)cc3c(C)c2cc1OC	ZINC000019799585	212070121	/nfs/dbraw/zinc/07/01/21/212070121.db2.gz	FRIORIWMGKOZPB-UHFFFAOYSA-N	0	0	326.392	4.644	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1Oc1ncnc2sc3c(c21)CCCC3	ZINC000095356824	218290890	/nfs/dbraw/zinc/29/08/90/218290890.db2.gz	UWSZGKZHEMDXPU-UHFFFAOYSA-N	0	0	341.392	4.579	50	5		EJBARN
COc1ccccc1[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000008132114	210899385	/nfs/dbraw/zinc/89/93/85/210899385.db2.gz	KPTRIQVGZMHOBE-SNVBAGLBSA-N	0	0	340.301	4.795	50	5		EJBARN
Cc1cccc(NC(=O)c2cccc3nc4ccccc4nc32)c1C	ZINC000012277018	207082725	/nfs/dbraw/zinc/08/27/25/207082725.db2.gz	GCBNHVRADXQGPB-UHFFFAOYSA-N	0	0	327.387	4.652	50	5		EJBARN
Cc1ccc(C)c(NC(=O)c2cccc3nc4ccccc4nc32)c1	ZINC000012277016	207083941	/nfs/dbraw/zinc/08/39/41/207083941.db2.gz	DIFPDPBCJNFVAA-UHFFFAOYSA-N	0	0	327.387	4.652	50	5		EJBARN
O=[N+]([O-])c1ccc2sc(/C=C\c3cnn(-c4ccccc4)c3)nc2c1	ZINC000096891356	218896015	/nfs/dbraw/zinc/89/60/15/218896015.db2.gz	TVBIYLBPQKHDFP-TWGQIWQCSA-N	0	0	348.387	4.561	50	5		EJBARN
O=[N+]([O-])c1ccc2sc(/C=C/c3ccccc3OC(F)F)nc2c1	ZINC000005130167	210396871	/nfs/dbraw/zinc/39/68/71/210396871.db2.gz	GFOUOOFCZHPCIR-VMPITWQZSA-N	0	0	348.330	4.976	50	5		EJBARN
COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(C(C)C)cc1	ZINC000004999130	210355645	/nfs/dbraw/zinc/35/56/45/210355645.db2.gz	AXRRVWITCIOGCJ-UHFFFAOYSA-N	0	0	345.424	4.536	50	5		EJBARN
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-]	ZINC000004955740	210338628	/nfs/dbraw/zinc/33/86/28/210338628.db2.gz	IUZJHGAAUIQMLR-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
C[C@]12CCCC[C@@]13Oc1ccc([N+](=O)[O-])cc1CN3c1ccccc12	ZINC000004817389	210286473	/nfs/dbraw/zinc/28/64/73/210286473.db2.gz	ZECWOPIXKZIXBD-WOJBJXKFSA-N	0	0	336.391	4.535	50	5		EJBARN
COc1cccc(COc2ccc3c(c2)oc(=O)c2ccccc32)c1	ZINC000004833369	210291843	/nfs/dbraw/zinc/29/18/43/210291843.db2.gz	UMLARORMNUPVLN-UHFFFAOYSA-N	0	0	332.355	4.534	50	5	biogenic	EJBARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC12CC3CC(CC(C3)C1)C2	ZINC000004821311	210287447	/nfs/dbraw/zinc/28/74/47/210287447.db2.gz	SMFSKNNLLXFPPE-UHFFFAOYSA-N	0	0	340.345	4.994	50	5		EJBARN
Cc1cccc(C)c1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000309679	262517376	/nfs/dbraw/zinc/51/73/76/262517376.db2.gz	QSOUVDSNHIZOST-VQHVLOKHSA-N	0	0	330.771	4.517	50	5		EJBARN
Fc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1	ZINC000000295929	563274735	/nfs/dbraw/zinc/27/47/35/563274735.db2.gz	OKZWKPDCOFITEH-UHFFFAOYSA-N	0	0	327.362	4.925	50	5		EJBARN
COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1	ZINC000000349096	563288712	/nfs/dbraw/zinc/28/87/12/563288712.db2.gz	XNKYREUUHSLSBW-UHFFFAOYSA-N	0	0	339.398	4.795	50	5		EJBARN
O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccc(Cl)cc1	ZINC000000381315	563299688	/nfs/dbraw/zinc/29/96/88/563299688.db2.gz	HYQRZEDKZLWBLD-UHFFFAOYSA-N	0	0	349.773	4.852	50	5		EJBARN
CCCCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21	ZINC000002475944	563433503	/nfs/dbraw/zinc/43/35/03/563433503.db2.gz	KGFVJZVJMPARTB-UHFFFAOYSA-N	0	0	335.407	4.555	50	5		EJBARN
CC(C)c1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000004348308	563663228	/nfs/dbraw/zinc/66/32/28/563663228.db2.gz	WIRJBRWPSPINNW-UHFFFAOYSA-N	0	0	341.392	4.580	50	5		EJBARN
Cc1ccc(OC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C	ZINC000004503111	563737268	/nfs/dbraw/zinc/73/72/68/563737268.db2.gz	JKVWRSGMQYBVJB-UHFFFAOYSA-N	0	0	337.331	4.691	50	5		EJBARN
O=C(Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000000073441	563973672	/nfs/dbraw/zinc/97/36/72/563973672.db2.gz	SWNOPDOOMFGPLX-UHFFFAOYSA-N	0	0	346.553	4.774	50	5		EJBARN
CC(C)(C)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000000143337	563987085	/nfs/dbraw/zinc/98/70/85/563987085.db2.gz	AIHKFJPEEDMKEA-UHFFFAOYSA-N	0	0	333.771	4.765	50	5		EJBARN
Cn1c2ccccc2c([C@@H](C[N+](=O)[O-])c2ccco2)c1-c1ccccc1	ZINC000000141240	563987110	/nfs/dbraw/zinc/98/71/10/563987110.db2.gz	QKJOUFGOFKSWSP-KRWDZBQOSA-N	0	0	346.386	4.847	50	5		EJBARN
Cc1ccc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)cc1[N+](=O)[O-]	ZINC000000181174	563987889	/nfs/dbraw/zinc/98/78/89/563987889.db2.gz	RGKMALREZDAGAS-KRWDZBQOSA-N	0	0	332.359	4.531	50	5	aggregator	EJBARN
CC(C)Cn1c2c(c(=S)nc1-c1ccc([N+](=O)[O-])cc1)CCCC2	ZINC000000202433	563988296	/nfs/dbraw/zinc/98/82/96/563988296.db2.gz	YPIOIFKGDDLRCC-UHFFFAOYSA-N	0	0	343.452	4.723	50	5		EJBARN
CC(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)C)c1O	ZINC000000262371	563989863	/nfs/dbraw/zinc/98/98/63/563989863.db2.gz	VFRQHTCLMHSJKA-UHFFFAOYSA-N	0	0	342.395	4.800	50	5		EJBARN
O=C(Oc1ccc(C2CCCCC2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000000285382	563990146	/nfs/dbraw/zinc/99/01/46/563990146.db2.gz	NQEWDGDPIRKIFL-UHFFFAOYSA-N	0	0	325.364	4.862	50	5		EJBARN
COC(=O)c1ccc(-c2ccc(/C=C(\c3ccccc3)[N+](=O)[O-])o2)cc1	ZINC000000356563	563991622	/nfs/dbraw/zinc/99/16/22/563991622.db2.gz	TYPCDKPAHSDYRZ-QGOAFFKASA-N	0	0	349.342	4.508	50	5		EJBARN
Cc1ccccc1NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000004857603	563992105	/nfs/dbraw/zinc/99/21/05/563992105.db2.gz	LWHLAJIFJBTDPK-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc2ccccc21	ZINC000000426930	563998659	/nfs/dbraw/zinc/99/86/59/563998659.db2.gz	FUJLBUFOJYAOQV-UHFFFAOYSA-N	0	0	349.389	4.657	50	5		EJBARN
O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000000436142	563999282	/nfs/dbraw/zinc/99/92/82/563999282.db2.gz	LAPHFLDOUDSHGW-UHFFFAOYSA-N	0	0	333.347	4.591	50	5		EJBARN
Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000439760	563999309	/nfs/dbraw/zinc/99/93/09/563999309.db2.gz	SEWRJIVSYZOMJP-ACCUITESSA-N	0	0	348.358	4.815	50	5		EJBARN
Cc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000000466877	564000756	/nfs/dbraw/zinc/00/07/56/564000756.db2.gz	BKCQTWUXGNHYKE-UHFFFAOYSA-N	0	0	340.162	4.567	50	5		EJBARN
CCOc1ccc(C(=O)Nc2ccccc2[C@H](C)CC)cc1[N+](=O)[O-]	ZINC000000463736	564000786	/nfs/dbraw/zinc/00/07/86/564000786.db2.gz	ZBIDJBQUDBCCTQ-CYBMUJFWSA-N	0	0	342.395	4.759	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc2ccccc2c1Cl	ZINC000005669106	564013136	/nfs/dbraw/zinc/01/31/36/564013136.db2.gz	FHBMGEFOEQLLPI-UHFFFAOYSA-N	0	0	332.768	4.715	50	5		EJBARN
COc1ccc(CNc2c(Cl)cccc2[N+](=O)[O-])cc1Cl	ZINC000005661779	564013560	/nfs/dbraw/zinc/01/35/60/564013560.db2.gz	HKXUICWVLJCIQJ-UHFFFAOYSA-N	0	0	327.167	4.522	50	5		EJBARN
Cc1nc2c(c3c4cc([N+](=O)[O-])ccc4sc31)C(=O)CC(C)(C)C2	ZINC000000530745	564021513	/nfs/dbraw/zinc/02/15/13/564021513.db2.gz	GKRVBPYPTJOHAJ-UHFFFAOYSA-N	0	0	340.404	4.821	50	5		EJBARN
CC[C@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21	ZINC000000538358	564022356	/nfs/dbraw/zinc/02/23/56/564022356.db2.gz	UONXWKOCJOPFNF-LBPRGKRZSA-N	0	0	347.378	4.526	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2nc3ccccc3c3nc4ccccc4n32)c1	ZINC000000548750	564022910	/nfs/dbraw/zinc/02/29/10/564022910.db2.gz	HGIPCKNXXIJJFP-UHFFFAOYSA-N	0	0	340.342	4.611	50	5		EJBARN
Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1[N+](=O)[O-]	ZINC000048253588	564030483	/nfs/dbraw/zinc/03/04/83/564030483.db2.gz	CKMNYULHJXZDOT-UHFFFAOYSA-N	0	0	347.374	4.581	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1	ZINC000000618260	564031776	/nfs/dbraw/zinc/03/17/76/564031776.db2.gz	ZKDDMSDNOPZLGY-UHFFFAOYSA-N	0	0	343.342	4.979	50	5		EJBARN
COc1ccc([N+](=O)[O-])cc1NC1CCC(c2ccccc2)CC1	ZINC000000758747	564034041	/nfs/dbraw/zinc/03/40/41/564034041.db2.gz	FYXOIOQVGBFMND-UHFFFAOYSA-N	0	0	326.396	4.742	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C1(c2ccccc2)CCCC1	ZINC000005773065	564034392	/nfs/dbraw/zinc/03/43/92/564034392.db2.gz	KZFVNXSXVCHKKQ-UHFFFAOYSA-N	0	0	344.798	4.699	50	5		EJBARN
Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000001094763	564054399	/nfs/dbraw/zinc/05/43/99/564054399.db2.gz	FBGZFORUXOIKMY-OAHLLOKOSA-N	0	0	348.324	4.904	50	5		EJBARN
O=C(CCNc1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000001197102	564056361	/nfs/dbraw/zinc/05/63/61/564056361.db2.gz	FQZGOZQRHSNBDS-UHFFFAOYSA-N	0	0	346.386	4.947	50	5		EJBARN
CCc1ccc(Cl)c(CC)c1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000012679354	564062581	/nfs/dbraw/zinc/06/25/81/564062581.db2.gz	SCPCIQGSNRNFQB-UHFFFAOYSA-N	0	0	332.787	4.625	50	5		EJBARN
O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccco2)cc1	ZINC000075279903	564081475	/nfs/dbraw/zinc/08/14/75/564081475.db2.gz	VWUSOWGFGKXROR-SFHVURJKSA-N	0	0	333.347	4.544	50	5		EJBARN
O=[N+]([O-])c1ccccc1N1CCC(c2nc3ccccc3s2)CC1	ZINC000006250370	564083273	/nfs/dbraw/zinc/08/32/73/564083273.db2.gz	SZHDUMXXADWVGX-UHFFFAOYSA-N	0	0	339.420	4.589	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cl)c1Cl	ZINC000001738499	564084413	/nfs/dbraw/zinc/08/44/13/564084413.db2.gz	XQJGSTYNYFNLDI-UHFFFAOYSA-N	0	0	340.166	4.854	50	5		EJBARN
C[C@@H]1CCc2c(sc3ncnc(Oc4ccc([N+](=O)[O-])cc4)c32)C1	ZINC000006455298	564087843	/nfs/dbraw/zinc/08/78/43/564087843.db2.gz	RUVGSDCPBASYFD-SNVBAGLBSA-N	0	0	341.392	4.517	50	5		EJBARN
COc1cccc(NCc2cc(=O)oc3ccc4ccccc4c23)c1	ZINC000006510139	564091259	/nfs/dbraw/zinc/09/12/59/564091259.db2.gz	ATJOKSFOLYVPSV-UHFFFAOYSA-N	0	0	331.371	4.567	50	5		EJBARN
O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1ccc(Cl)cc1	ZINC000006660810	564095563	/nfs/dbraw/zinc/09/55/63/564095563.db2.gz	HHCSFVLECZGPRT-UHFFFAOYSA-N	0	0	349.773	4.852	50	5		EJBARN
Cc1nn(-c2ccc([N+](=O)[O-])cc2)cc1Sc1cccc(Cl)c1	ZINC000602993609	564098666	/nfs/dbraw/zinc/09/86/66/564098666.db2.gz	RDFWYSQFFIRGHB-UHFFFAOYSA-N	0	0	345.811	4.894	50	5		EJBARN
CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccccc1Cl	ZINC000000473973	564116723	/nfs/dbraw/zinc/11/67/23/564116723.db2.gz	IDWYPWHZBSKXBF-MDZDMXLPSA-N	0	0	333.771	4.565	50	5		EJBARN
CC(C)c1nc2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2o1	ZINC000027351651	564120810	/nfs/dbraw/zinc/12/08/10/564120810.db2.gz	CFIRMFVTSSYGGO-UHFFFAOYSA-N	0	0	340.339	4.503	50	5		EJBARN
CNc1ccc(/C=C\c2nc3cc(C)ccc3s2)cc1[N+](=O)[O-]	ZINC000096765998	564148941	/nfs/dbraw/zinc/14/89/41/564148941.db2.gz	WJMFMPMVJKNYCQ-YVMONPNESA-N	0	0	325.393	4.725	50	5		EJBARN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1(c2ccccc2)CCCC1	ZINC000002512616	564150273	/nfs/dbraw/zinc/15/02/73/564150273.db2.gz	ZDGKYDWODJNPJC-UHFFFAOYSA-N	0	0	344.798	4.699	50	5		EJBARN
O=C(CCNc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	ZINC000002520624	564150372	/nfs/dbraw/zinc/15/03/72/564150372.db2.gz	MZLJIOOSNIKWSF-UHFFFAOYSA-N	0	0	339.178	4.587	50	5		EJBARN
Cc1sc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1-c1ccccc1	ZINC000002875787	564152876	/nfs/dbraw/zinc/15/28/76/564152876.db2.gz	URVNWNDGSVXKGB-UHFFFAOYSA-N	0	0	335.388	4.946	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1	ZINC000003107516	564155152	/nfs/dbraw/zinc/15/51/52/564155152.db2.gz	ILPOWKIXWYYJGV-UHFFFAOYSA-N	0	0	326.333	4.899	50	5		EJBARN
O=[N+]([O-])c1cccc(C(=C(Cl)Cl)c2cccc([N+](=O)[O-])c2)c1	ZINC000003129713	564155276	/nfs/dbraw/zinc/15/52/76/564155276.db2.gz	OYPLHPPBPSFIMQ-UHFFFAOYSA-N	0	0	339.134	4.698	50	5		EJBARN
CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CC)c1ccccc1	ZINC000003137239	564155357	/nfs/dbraw/zinc/15/53/57/564155357.db2.gz	IJYZEAYSSXMGPU-ZWKOTPCHSA-N	0	0	327.380	4.724	50	5		EJBARN
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc1ccccc12	ZINC000003617021	564159187	/nfs/dbraw/zinc/15/91/87/564159187.db2.gz	KTFDLQZHTIIAIW-UHFFFAOYSA-N	0	0	346.342	4.675	50	5		EJBARN
O=C1CC2(CCCCC2)Oc2cc3oc(=O)c4ccccc4c3cc21	ZINC000004084783	564160447	/nfs/dbraw/zinc/16/04/47/564160447.db2.gz	NMYSGIRQVNVACS-UHFFFAOYSA-N	0	0	334.371	4.614	50	5	biogenic	EJBARN
O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2cccs2)o1	ZINC000004247130	564161270	/nfs/dbraw/zinc/16/12/70/564161270.db2.gz	UEBDGXJOFWSRGU-UHFFFAOYSA-N	0	0	346.367	4.725	50	5		EJBARN
Cc1ccc(-c2nc(CNc3cccc([N+](=O)[O-])c3C)cs2)cc1	ZINC000008159406	564163227	/nfs/dbraw/zinc/16/32/27/564163227.db2.gz	BHJLXVZTXVWURK-UHFFFAOYSA-N	0	0	339.420	4.947	50	5		EJBARN
Cc1ccc(-c2nc(CNc3cc([N+](=O)[O-])ccc3C)cs2)cc1	ZINC000008194368	564163493	/nfs/dbraw/zinc/16/34/93/564163493.db2.gz	SXJGHGXPFYWTQV-UHFFFAOYSA-N	0	0	339.420	4.947	50	5		EJBARN
CC(C)c1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1	ZINC000008357340	564164710	/nfs/dbraw/zinc/16/47/10/564164710.db2.gz	YJOQQUXPJDSMTC-UHFFFAOYSA-N	0	0	338.407	4.523	50	5		EJBARN
CC(C)c1ccccc1O[C@H](C)c1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000076555405	564176511	/nfs/dbraw/zinc/17/65/11/564176511.db2.gz	YGBPOIANZICHSA-GFCCVEGCSA-N	0	0	325.368	4.735	50	5		EJBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1	ZINC000004599426	210230732	/nfs/dbraw/zinc/23/07/32/210230732.db2.gz	WTMDAKDKDMZWLU-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=[N+]([O-])c1cc(F)c(Br)cc1SCc1ccccc1	ZINC000098095419	219083405	/nfs/dbraw/zinc/08/34/05/219083405.db2.gz	WFSOYCQKGCBLCD-UHFFFAOYSA-N	0	0	342.189	4.789	50	5		EJBARN
C[C@@H](CCc1ccccc1)Nc1cc(N2CCCC2)ccc1[N+](=O)[O-]	ZINC000004543432	210219767	/nfs/dbraw/zinc/21/97/67/210219767.db2.gz	FFZOMMKSBOHSTC-INIZCTEOSA-N	0	0	339.439	4.628	50	5		EJBARN
CC(C)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000004348303	210177041	/nfs/dbraw/zinc/17/70/41/210177041.db2.gz	SCUQUBXYNZSCTM-UHFFFAOYSA-N	0	0	341.392	4.580	50	5		EJBARN
CC(C)c1ccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1	ZINC000004348602	210177100	/nfs/dbraw/zinc/17/71/00/210177100.db2.gz	AHDYZTRVGSZMEX-UHFFFAOYSA-N	0	0	341.392	4.580	50	5		EJBARN
O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1	ZINC000004257509	210154715	/nfs/dbraw/zinc/15/47/15/210154715.db2.gz	UXFPLSBIOXIXNJ-NRFANRHFSA-N	0	0	343.386	4.951	50	5		EJBARN
CCc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2=S)cc1	ZINC000004134982	210129723	/nfs/dbraw/zinc/12/97/23/210129723.db2.gz	NYIUUBLYXKUNFX-UHFFFAOYSA-N	0	0	325.393	4.672	50	5		EJBARN
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1[N+](=O)[O-]	ZINC000012917830	201875297	/nfs/dbraw/zinc/87/52/97/201875297.db2.gz	VBKZGDVKLHICIQ-UHFFFAOYSA-N	0	0	347.374	4.526	50	5		EJBARN
O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1	ZINC000004056783	210108506	/nfs/dbraw/zinc/10/85/06/210108506.db2.gz	DYHFTWZYEVNOJC-CMDGGOBGSA-N	0	0	337.162	4.554	50	5		EJBARN
O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000004010714	210100221	/nfs/dbraw/zinc/10/02/21/210100221.db2.gz	ZGDYTSLOYSXIER-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
CC(C)(C)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Cl	ZINC000004014283	210100040	/nfs/dbraw/zinc/10/00/40/210100040.db2.gz	ILLWCRRSZOZUFP-UHFFFAOYSA-N	0	0	347.802	4.711	50	5		EJBARN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000003897373	210087188	/nfs/dbraw/zinc/08/71/88/210087188.db2.gz	CZYVCGVPYRVQGM-AXAPSJFSSA-N	0	0	339.819	4.866	50	5	biogenic	EJBARN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003896970	210086556	/nfs/dbraw/zinc/08/65/56/210086556.db2.gz	QJJWEQVYFXSALB-PVXIVEMSSA-N	0	0	339.819	4.866	50	5	biogenic	EJBARN
O=[N+]([O-])c1ccc(Nc2ccccc2-c2ccccc2)c2nonc21	ZINC000003879010	210083650	/nfs/dbraw/zinc/08/36/50/210083650.db2.gz	KMJPYSQOCBYMCF-UHFFFAOYSA-N	0	0	332.319	4.542	50	5	in-vitro	EJBARN
O=C(CNc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])cc1	ZINC000003617083	210067030	/nfs/dbraw/zinc/06/70/30/210067030.db2.gz	LYVYASURIXFJKZ-UHFFFAOYSA-N	0	0	346.342	4.789	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c2ccncc21	ZINC000003451459	210043341	/nfs/dbraw/zinc/04/33/41/210043341.db2.gz	IYSTVVCDSOPPIT-UHFFFAOYSA-N	0	0	345.152	4.698	50	5		EJBARN
C[C@H]1CCc2c(sc3ncnc(Oc4ccccc4[N+](=O)[O-])c32)C1	ZINC000003397820	210026842	/nfs/dbraw/zinc/02/68/42/210026842.db2.gz	FWKPWDYGXYCVEK-JTQLQIEISA-N	0	0	341.392	4.517	50	5		EJBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl	ZINC000003152656	209970512	/nfs/dbraw/zinc/97/05/12/209970512.db2.gz	ATDSLMCXEPWTSB-RMKNXTFCSA-N	0	0	337.162	4.554	50	5		EJBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(c2ccccc2)CCCC1	ZINC000002512633	209861282	/nfs/dbraw/zinc/86/12/82/209861282.db2.gz	IILMPMFNHDHABY-UHFFFAOYSA-N	0	0	344.798	4.699	50	5		EJBARN
Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002162639	209826458	/nfs/dbraw/zinc/82/64/58/209826458.db2.gz	QOZCGSPOFXJGHQ-UHFFFAOYSA-N	0	0	342.229	4.623	50	5		EJBARN
O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)cc1	ZINC000068838076	215340111	/nfs/dbraw/zinc/34/01/11/215340111.db2.gz	RUBWJWPCHRARKK-OAHLLOKOSA-N	0	0	325.393	4.546	50	5		EJBARN
O=[N+]([O-])c1cccc(Br)c1OCc1cccc(Cl)c1	ZINC000036719649	213113168	/nfs/dbraw/zinc/11/31/68/213113168.db2.gz	WVSVZEXBCVDGRP-UHFFFAOYSA-N	0	0	342.576	4.590	50	5		EJBARN
O=c1c2cccc3cccc(c4nc5ccc6c7c(ccc(c75)n14)CC6)c32	ZINC000000321940	209535480	/nfs/dbraw/zinc/53/54/80/209535480.db2.gz	SQAXDHUDIKRHGH-UHFFFAOYSA-N	0	0	346.389	4.844	50	5		EJBARN
O=C(/C=C/c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000000302656	209524668	/nfs/dbraw/zinc/52/46/68/209524668.db2.gz	YCJLARPPTSOLDA-FPYGCLRLSA-N	0	0	337.162	4.554	50	5		EJBARN
Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1	ZINC000000189101	209473067	/nfs/dbraw/zinc/47/30/67/209473067.db2.gz	VRFZIZWIRNZIIU-UHFFFAOYSA-N	0	0	329.355	4.507	50	5		EJBARN
O=[N+]([O-])c1cc(Cl)c(-n2cccc2)cc1Sc1ccccn1	ZINC000000083685	209408682	/nfs/dbraw/zinc/40/86/82/209408682.db2.gz	FRFSKYZZTNRMHO-UHFFFAOYSA-N	0	0	331.784	4.585	50	5		EJBARN
Cc1cc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2cc1C	ZINC000000069239	209399312	/nfs/dbraw/zinc/39/93/12/209399312.db2.gz	LTDIXYZHOBMHDF-UHFFFAOYSA-N	0	0	339.420	4.756	50	5		EJBARN
Cc1ccccc1C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000059199	209394443	/nfs/dbraw/zinc/39/44/43/209394443.db2.gz	XWCJKPWVSCWFJG-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1	ZINC000000460959	201476134	/nfs/dbraw/zinc/47/61/34/201476134.db2.gz	UKJADNVCKXUUJF-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
Cc1cc(OC(=O)C(C)(C)C)cc2c(=O)c3ccccc3sc12	ZINC000020352372	212121022	/nfs/dbraw/zinc/12/10/22/212121022.db2.gz	DZYLOABHEBEVNC-UHFFFAOYSA-N	0	0	326.417	4.675	50	5		EJBARN
CCOC(=O)c1cnc2c3ccccc3ccc2c1NCc1ccco1	ZINC000019791735	212068006	/nfs/dbraw/zinc/06/80/06/212068006.db2.gz	OEQDHYBEYXRXKK-UHFFFAOYSA-N	0	0	346.386	4.770	50	5		EJBARN
CC(C)(C)c1ccc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000017355388	211967069	/nfs/dbraw/zinc/96/70/69/211967069.db2.gz	OONQICAXMKRCAH-UHFFFAOYSA-N	0	0	335.407	4.804	50	5		EJBARN
O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccccc1Cl	ZINC000000340249	205435852	/nfs/dbraw/zinc/43/58/52/205435852.db2.gz	FPABEHIRRPWJSB-UHFFFAOYSA-N	0	0	349.773	4.852	50	5		EJBARN
Cc1cc([N+](=O)[O-])c2nc(-c3ccc(-c4ccccc4)cc3)cn2c1	ZINC000082238004	217483955	/nfs/dbraw/zinc/48/39/55/217483955.db2.gz	OKZCNCPDQFQLSP-UHFFFAOYSA-N	0	0	329.359	4.885	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2ncnc3sc4c(c32)CCCCC4)cc1	ZINC000014158904	211695600	/nfs/dbraw/zinc/69/56/00/211695600.db2.gz	GNFQRTLQHKQAOP-UHFFFAOYSA-N	0	0	341.392	4.661	50	5		EJBARN
CN1c2ccccc2C(C)(C)/C1=C/Sc1ccccc1[N+](=O)[O-]	ZINC000012560184	211410654	/nfs/dbraw/zinc/41/06/54/211410654.db2.gz	NDDATGWDZBPVCW-ATVHPVEESA-N	0	0	326.421	4.956	50	5		EJBARN
Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccncc1	ZINC000008990675	211028306	/nfs/dbraw/zinc/02/83/06/211028306.db2.gz	CBIWHCYJGYVLSU-UHFFFAOYSA-N	0	0	344.805	4.834	50	5		EJBARN
O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(OC(F)F)cc3)sc2c1	ZINC000005130230	210396203	/nfs/dbraw/zinc/39/62/03/210396203.db2.gz	XPENFUVDWSXPFY-FPYGCLRLSA-N	0	0	348.330	4.976	50	5		EJBARN
O=[N+]([O-])c1ccc2nc(/C=C/c3ccccc3OC(F)F)sc2c1	ZINC000005130217	210396219	/nfs/dbraw/zinc/39/62/19/210396219.db2.gz	JQUOWCIHOOCWFK-VMPITWQZSA-N	0	0	348.330	4.976	50	5		EJBARN
Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1cccc(C)c1	ZINC000005033339	210370366	/nfs/dbraw/zinc/37/03/66/210370366.db2.gz	YQXOTCMLMMASPI-UHFFFAOYSA-N	0	0	336.347	4.724	50	5		EJBARN
COc1ccccc1COc1ccc2c(c1)oc(=O)c1ccccc21	ZINC000000307540	563278511	/nfs/dbraw/zinc/27/85/11/563278511.db2.gz	REMPOIUVBLBDMH-UHFFFAOYSA-N	0	0	332.355	4.534	50	5	biogenic	EJBARN
COc1ccc(N=c2c3ccccc3oc3ccccc32)c([N+](=O)[O-])c1	ZINC000004199573	563497641	/nfs/dbraw/zinc/49/76/41/563497641.db2.gz	ZHJMTSKRBQGJJG-UHFFFAOYSA-N	0	0	346.342	4.735	50	5		EJBARN
c1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1	ZINC000002667994	563601528	/nfs/dbraw/zinc/60/15/28/563601528.db2.gz	FAKYUGOFXPKPJX-UHFFFAOYSA-N	0	0	339.398	4.817	50	5		EJBARN
C[C@@H](Sc1nnc(NC(C)(C)C)s1)c1cccc([N+](=O)[O-])c1	ZINC000032841171	563760555	/nfs/dbraw/zinc/76/05/55/563760555.db2.gz	DPBLEZNOHUAWDS-SECBINFHSA-N	0	0	338.458	4.510	50	5		EJBARN
Cc1cccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000000090632	563976540	/nfs/dbraw/zinc/97/65/40/563976540.db2.gz	MUXPMDIBABNGOE-ZRDIBKRKSA-N	0	0	348.358	4.815	50	5		EJBARN
COc1ccc(-n2cc3[nH]c4c(ccc5ccccc54)cc-3c2=O)cc1	ZINC000096026295	563977915	/nfs/dbraw/zinc/97/79/15/563977915.db2.gz	ULMOAFBCJLZSSW-UHFFFAOYSA-N	0	0	340.382	4.557	50	5		EJBARN
O=[N+]([O-])c1ccc(CSc2ncc(C(F)(F)F)cc2Cl)cc1	ZINC000000122955	563986796	/nfs/dbraw/zinc/98/67/96/563986796.db2.gz	IXCBUKFKGJZDEG-UHFFFAOYSA-N	0	0	348.733	4.954	50	5		EJBARN
Cc1c(C(=O)Nc2ccccc2-c2ccccc2)cccc1[N+](=O)[O-]	ZINC000000272495	563990057	/nfs/dbraw/zinc/99/00/57/563990057.db2.gz	ZFOHHGPJVGYYCY-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
O=c1c2ccccc2nc2nc(-c3ccccc3)cc(-c3ccccc3)n21	ZINC000000275182	563990104	/nfs/dbraw/zinc/99/01/04/563990104.db2.gz	NFWSPCAXLKXOAU-UHFFFAOYSA-N	0	0	349.393	4.577	50	5		EJBARN
Cc1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1C	ZINC000000310186	563990907	/nfs/dbraw/zinc/99/09/07/563990907.db2.gz	HHUOBCUDCMYSQQ-VQHVLOKHSA-N	0	0	330.771	4.517	50	5		EJBARN
O=C(Nc1cccc2ccccc21)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000000310429	563990912	/nfs/dbraw/zinc/99/09/12/563990912.db2.gz	HHIJFKWTUNKUKP-UHFFFAOYSA-N	0	0	326.739	4.654	50	5		EJBARN
Cc1cc(C(=O)Oc2ccc(Cc3ccccc3)cc2)ccc1[N+](=O)[O-]	ZINC000000317833	563990914	/nfs/dbraw/zinc/99/09/14/563990914.db2.gz	APJFEJSBAGIMSI-UHFFFAOYSA-N	0	0	347.370	4.713	50	5		EJBARN
Cc1cc(C)cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000000316681	563990915	/nfs/dbraw/zinc/99/09/15/563990915.db2.gz	PAMPVFNHYINPGU-GQCTYLIASA-N	0	0	330.771	4.517	50	5		EJBARN
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc12	ZINC000000341272	563991370	/nfs/dbraw/zinc/99/13/70/563991370.db2.gz	FFRPIAIEGNUUGV-UHFFFAOYSA-N	0	0	340.766	4.962	50	5		EJBARN
COCCc1cc(NCc2c3ccccc3cc3ccccc32)n(C)n1	ZINC000136621097	563997838	/nfs/dbraw/zinc/99/78/38/563997838.db2.gz	XZEUNHXWSXYHQY-UHFFFAOYSA-N	0	0	345.446	4.528	50	5		EJBARN
Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1C(C)C	ZINC000000436579	563999302	/nfs/dbraw/zinc/99/93/02/563999302.db2.gz	ZKIKJGODBRIDOD-UHFFFAOYSA-N	0	0	333.771	4.899	50	5		EJBARN
Cc1c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cccc1[N+](=O)[O-]	ZINC000000447639	563999533	/nfs/dbraw/zinc/99/95/33/563999533.db2.gz	WKBBYMHBQFLJPE-UHFFFAOYSA-N	0	0	344.370	4.727	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc2ccccc12	ZINC000000453490	563999756	/nfs/dbraw/zinc/99/97/56/563999756.db2.gz	QAPQSCRANLOIQN-ZRDIBKRKSA-N	0	0	332.359	4.708	50	5		EJBARN
O=[N+]([O-])c1ccc(/C=C\C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)o1	ZINC000033907360	564000278	/nfs/dbraw/zinc/00/02/78/564000278.db2.gz	PEYAYDLYYOQRKF-XZVRFQMRSA-N	0	0	349.346	4.802	50	5		EJBARN
Cc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2C)n1	ZINC000005331103	564002666	/nfs/dbraw/zinc/00/26/66/564002666.db2.gz	VSBUARGUZLRIHS-UHFFFAOYSA-N	0	0	349.394	4.797	50	5		EJBARN
CC[C@@H](C)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000472031	564006190	/nfs/dbraw/zinc/00/61/90/564006190.db2.gz	SPSOOZFIKZUEGP-ZIAGYGMSSA-N	0	0	326.396	4.851	50	5		EJBARN
CN1c2ccccc2[C@]2(C)CCCC3=Cc4cccc([N+](=O)[O-])c4O[C@@]312	ZINC000000501315	564019053	/nfs/dbraw/zinc/01/90/53/564019053.db2.gz	AOQKMJVGELKIIG-LEWJYISDSA-N	0	0	348.402	4.659	50	5	aggregator	EJBARN
O=c1cc(CSc2ccc(O)cc2)c2c(ccc3ccccc32)o1	ZINC000047884492	564029729	/nfs/dbraw/zinc/02/97/29/564029729.db2.gz	KVSQVKWXGVVFGX-UHFFFAOYSA-N	0	0	334.396	4.944	50	5		EJBARN
COc1ccc2c(c1)[nH]c(Sc1ccc(Cl)cc1)c2[N+](=O)[O-]	ZINC000000617108	564031818	/nfs/dbraw/zinc/03/18/18/564031818.db2.gz	QKBGPKPHAXCKNV-UHFFFAOYSA-N	0	0	334.784	4.889	50	5		EJBARN
COc1cc(F)ccc1NC(=O)c1cc2ccccc2c2cccnc12	ZINC000225508584	564047420	/nfs/dbraw/zinc/04/74/20/564047420.db2.gz	DNRDVZMAHOFSET-UHFFFAOYSA-N	0	0	346.361	4.788	50	5		EJBARN
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000977192	564053778	/nfs/dbraw/zinc/05/37/78/564053778.db2.gz	VCXMBIHSCGPENR-FFSVYQOJSA-N	0	0	339.819	4.866	50	5		EJBARN
O=[N+]([O-])c1ccccc1CN1CCC[C@H]1c1nc2ccccc2s1	ZINC000015452187	564063254	/nfs/dbraw/zinc/06/32/54/564063254.db2.gz	QJMQRVAGEQTNTA-INIZCTEOSA-N	0	0	339.420	4.542	50	5		EJBARN
O=[N+]([O-])c1c(NCc2csc3ccccc23)ccc2ncccc21	ZINC000084593160	564068907	/nfs/dbraw/zinc/06/89/07/564068907.db2.gz	QSJRCKGCNOQKTK-UHFFFAOYSA-N	0	0	335.388	4.970	50	5		EJBARN
C[C@]12CC3CC(C(=O)Nc4ccc([N+](=O)[O-])cc4)(C1)C[C@@](C)(C3)C2	ZINC000015746424	564072882	/nfs/dbraw/zinc/07/28/82/564072882.db2.gz	RBXSMVLMZRTZCW-DFDFAMMDSA-N	0	0	328.412	4.530	50	5		EJBARN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1c1cccs1	ZINC000085636203	564074381	/nfs/dbraw/zinc/07/43/81/564074381.db2.gz	RTVFMWXVHZHIDL-CQSZACIVSA-N	0	0	345.424	4.642	50	5		EJBARN
CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000001909386	564089199	/nfs/dbraw/zinc/08/91/99/564089199.db2.gz	GCROSISSFPFKJP-UHFFFAOYSA-N	0	0	332.787	4.843	50	5		EJBARN
C[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1	ZINC000006787640	564097789	/nfs/dbraw/zinc/09/77/89/564097789.db2.gz	JJQURHSZRVTFTM-LBPRGKRZSA-N	0	0	325.393	4.891	50	5		EJBARN
Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)o1	ZINC000170634630	564116624	/nfs/dbraw/zinc/11/66/24/564116624.db2.gz	RCHMLXWYGONATF-INIZCTEOSA-N	0	0	343.383	4.645	50	5		EJBARN
C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1	ZINC000002622240	564151224	/nfs/dbraw/zinc/15/12/24/564151224.db2.gz	PZXAPZMPOJKIQI-SECBINFHSA-N	0	0	339.178	4.644	50	5		EJBARN
COc1cccc(CSc2nc3ccc([N+](=O)[O-])cc3s2)c1	ZINC000002635986	564151575	/nfs/dbraw/zinc/15/15/75/564151575.db2.gz	ZCXZRTTVUDZKPN-UHFFFAOYSA-N	0	0	332.406	4.505	50	5		EJBARN
O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1	ZINC000057292078	564153486	/nfs/dbraw/zinc/15/34/86/564153486.db2.gz	RTPINXTVHBPRKJ-MRXNPFEDSA-N	0	0	339.420	4.542	50	5		EJBARN
CC[C@](C)([N+](=O)[O-])C(C)(C)c1ccc(C(=O)c2ccccc2)cc1	ZINC000003080760	564155033	/nfs/dbraw/zinc/15/50/33/564155033.db2.gz	QMKCRAPASOFFPS-FQEVSTJZSA-N	0	0	325.408	4.641	50	5		EJBARN
CCCCCn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21	ZINC000003130003	564155284	/nfs/dbraw/zinc/15/52/84/564155284.db2.gz	NNIZZPGVNKZMFN-UHFFFAOYSA-N	0	0	327.340	4.801	50	5		EJBARN
O=C(Cc1ccc(-c2ccccc2)cc1)OCc1cccc([N+](=O)[O-])c1	ZINC000003289650	564157021	/nfs/dbraw/zinc/15/70/21/564157021.db2.gz	PWLCPDPIIHFLJN-UHFFFAOYSA-N	0	0	347.370	4.548	50	5		EJBARN
O=C(c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(Cl)c(Cl)c1	ZINC000058482237	564159243	/nfs/dbraw/zinc/15/92/43/564159243.db2.gz	UCKRVANJURUNOT-UHFFFAOYSA-N	0	0	336.130	4.879	50	5		EJBARN
Cc1nc2sc3c(c2c(Nc2ccc([N+](=O)[O-])cc2)n1)CCCC3	ZINC000003913489	564159703	/nfs/dbraw/zinc/15/97/03/564159703.db2.gz	MDONDUASKALKRN-UHFFFAOYSA-N	0	0	340.408	4.530	50	5		EJBARN
O=[N+]([O-])c1ccc(CSc2ncnc3c4ccccc4oc32)cc1	ZINC000004106818	564160564	/nfs/dbraw/zinc/16/05/64/564160564.db2.gz	BTCLJMKTFGTENM-UHFFFAOYSA-N	0	0	337.360	4.577	50	5		EJBARN
O=[N+]([O-])c1cccc(/C=C/c2ccc3c(Cl)ccc(O)c3n2)c1	ZINC000004123410	564160788	/nfs/dbraw/zinc/16/07/88/564160788.db2.gz	HPPCZNUTFXPRMO-SNAWJCMRSA-N	0	0	326.739	4.672	50	5		EJBARN
Cc1ccc(-c2nc(COc3cccc([N+](=O)[O-])c3)cs2)cc1	ZINC000008313578	564164207	/nfs/dbraw/zinc/16/42/07/564164207.db2.gz	USFDYNGAMXTLAV-UHFFFAOYSA-N	0	0	326.377	4.606	50	5		EJBARN
Cc1c(C(=O)Nc2ccccc2Cc2ccccc2)cccc1[N+](=O)[O-]	ZINC000006902230	201705203	/nfs/dbraw/zinc/70/52/03/201705203.db2.gz	SQPMHJFTABWTCL-UHFFFAOYSA-N	0	0	346.386	4.746	50	5		EJBARN
O=[N+]([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	ZINC000004322825	210170839	/nfs/dbraw/zinc/17/08/39/210170839.db2.gz	TXNVKRSTFDCGKJ-UHFFFAOYSA-N	0	0	328.111	4.553	50	5		EJBARN
CCCCOc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000004278951	210159251	/nfs/dbraw/zinc/15/92/51/210159251.db2.gz	FLBDQNKSOCSZBZ-UHFFFAOYSA-N	0	0	348.786	4.679	50	5		EJBARN
O=[N+]([O-])c1cccnc1SCc1coc(-c2ccccc2Cl)n1	ZINC000065692320	214990789	/nfs/dbraw/zinc/99/07/89/214990789.db2.gz	RUDUROHEZLNKIN-UHFFFAOYSA-N	0	0	347.783	4.591	50	5		EJBARN
Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000003997703	210097017	/nfs/dbraw/zinc/09/70/17/210097017.db2.gz	QLKDNVPFIAIRSF-UHFFFAOYSA-N	0	0	346.386	4.674	50	5		EJBARN
O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1N1CCCCCC1	ZINC000003904836	210090282	/nfs/dbraw/zinc/09/02/82/210090282.db2.gz	NECZHNVYJABXSC-UHFFFAOYSA-N	0	0	348.406	4.585	50	5		EJBARN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003897725	210087158	/nfs/dbraw/zinc/08/71/58/210087158.db2.gz	VCXMBIHSCGPENR-AXAPSJFSSA-N	0	0	339.819	4.866	50	5		EJBARN
C[C@H](Oc1cccnc1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl	ZINC000066352141	215035656	/nfs/dbraw/zinc/03/56/56/215035656.db2.gz	VGDOUCIQKWTGJY-ZETCQYMHSA-N	0	0	331.130	4.576	50	5		EJBARN
O=[N+]([O-])C[C@@H]1c2ccccc2C=CN1Cc1c(Cl)cccc1Cl	ZINC000020506639	202046663	/nfs/dbraw/zinc/04/66/63/202046663.db2.gz	RXWVHONZSNOENW-QGZVFWFLSA-N	0	0	349.217	4.798	50	5		EJBARN
O=Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000035657392	213044274	/nfs/dbraw/zinc/04/42/74/213044274.db2.gz	HFJFKSPRNWAHSQ-UHFFFAOYSA-N	0	0	345.660	4.872	50	5		EJBARN
O=[N+]([O-])c1cccc(Br)c1OCc1ccccc1Cl	ZINC000036719648	202329077	/nfs/dbraw/zinc/32/90/77/202329077.db2.gz	XTTBWZMAOXBKLP-UHFFFAOYSA-N	0	0	342.576	4.590	50	5		EJBARN
Cc1ccc(-c2nc(COc3cc([N+](=O)[O-])ccc3C)cs2)o1	ZINC000040127967	202424858	/nfs/dbraw/zinc/42/48/58/202424858.db2.gz	GAJDBMYQFZVMOF-UHFFFAOYSA-N	0	0	330.365	4.507	50	5		EJBARN
Cc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]	ZINC000000315596	209533087	/nfs/dbraw/zinc/53/30/87/209533087.db2.gz	PUTNDQVDSKHDRD-XYOKQWHBSA-N	0	0	338.407	4.853	50	5		EJBARN
Cc1nn(-c2ccc(Cl)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1	ZINC000000239302	209499471	/nfs/dbraw/zinc/49/94/71/209499471.db2.gz	RRPWMCMVDAKDQQ-UHFFFAOYSA-N	0	0	327.771	4.718	50	5		EJBARN
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(Cc2ccccc2)CC1	ZINC000000207022	209484325	/nfs/dbraw/zinc/48/43/25/209484325.db2.gz	SYPOYABLPUZIHW-UHFFFAOYSA-N	0	0	344.842	4.703	50	5		EJBARN
Cc1c(NC(=O)c2ccco2)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C	ZINC000000094271	209416181	/nfs/dbraw/zinc/41/61/81/209416181.db2.gz	HERPUAZUENLYFB-UHFFFAOYSA-N	0	0	342.395	4.707	50	5		EJBARN
Cc1nc2sc3c4nc5ccccc5n4cnc3c2c(C)c1Cl	ZINC000000092331	209415070	/nfs/dbraw/zinc/41/50/70/209415070.db2.gz	IVXVPAOQEDYHLD-UHFFFAOYSA-N	0	0	338.823	4.916	50	5		EJBARN
Cc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)c([N+](=O)[O-])c1	ZINC000026108629	212506111	/nfs/dbraw/zinc/50/61/11/212506111.db2.gz	ZTMVECKKOGWYJM-UHFFFAOYSA-N	0	0	344.754	4.791	50	5		EJBARN
Cc1cccc(Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1	ZINC000000318365	201461145	/nfs/dbraw/zinc/46/11/45/201461145.db2.gz	HQKOACIKGXXPKO-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
O=C(Nc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000281993	201457034	/nfs/dbraw/zinc/45/70/34/201457034.db2.gz	RJHITURAYCXCGY-UHFFFAOYSA-N	0	0	326.739	4.654	50	5		EJBARN
Cc1ccc([C@H](Nc2ccc([N+](=O)[O-])cn2)c2cccs2)cc1	ZINC000012886169	211475544	/nfs/dbraw/zinc/47/55/44/211475544.db2.gz	YXSLVDLOSQOOMB-KRWDZBQOSA-N	0	0	325.393	4.561	50	5		EJBARN
CCOc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000089991106	217904541	/nfs/dbraw/zinc/90/45/41/217904541.db2.gz	BAKLKIFORUTKPX-KRWDZBQOSA-N	0	0	346.814	4.988	50	5		EJBARN
O=C(NC1CCCCC1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000011689814	211233502	/nfs/dbraw/zinc/23/35/02/211233502.db2.gz	BIOKRPZRJXISME-UHFFFAOYSA-N	0	0	348.786	4.571	50	5		EJBARN
O=C(OC(c1ccccc1)c1ccccc1)c1csc([N+](=O)[O-])c1	ZINC000095364986	218297766	/nfs/dbraw/zinc/29/77/66/218297766.db2.gz	VNNMYFSQFFXCGD-UHFFFAOYSA-N	0	0	339.372	4.603	50	5		EJBARN
Cc1cc2nc3c4ccccc4n(Cc4cccnc4)c3nc2cc1C	ZINC000008990999	211027921	/nfs/dbraw/zinc/02/79/21/211027921.db2.gz	FUHMQIRVRYGGKU-UHFFFAOYSA-N	0	0	338.414	4.798	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1Cl	ZINC000005102764	210390274	/nfs/dbraw/zinc/39/02/74/210390274.db2.gz	IZNULWQIHMACNK-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1cccc(F)c1	ZINC000005033327	210370384	/nfs/dbraw/zinc/37/03/84/210370384.db2.gz	JQQXIZIQYVYNFD-UHFFFAOYSA-N	0	0	340.310	4.555	50	5		EJBARN
O=[N+]([O-])c1ccc(Cl)c(CN2CCC(Cc3ccccc3)CC2)c1	ZINC000004978625	210346732	/nfs/dbraw/zinc/34/67/32/210346732.db2.gz	DBYDATAHAAXDFS-UHFFFAOYSA-N	0	0	344.842	4.703	50	5		EJBARN
Cc1ccc(NC(=O)Oc2c(C)cc(Cl)cc2C)c([N+](=O)[O-])c1	ZINC000004799748	210280315	/nfs/dbraw/zinc/28/03/15/210280315.db2.gz	YAUCSOSOZKXYKT-UHFFFAOYSA-N	0	0	334.759	4.784	50	5		EJBARN
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1	ZINC000004754093	210270672	/nfs/dbraw/zinc/27/06/72/210270672.db2.gz	ZGQNFGKLXOPYJG-KRXBUXKQSA-N	0	0	337.162	4.554	50	5		EJBARN
CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(C)(C)C	ZINC000043314241	262513037	/nfs/dbraw/zinc/51/30/37/262513037.db2.gz	LUQJDPKAQPXVLV-UHFFFAOYSA-N	0	0	341.411	4.556	50	5		EJBARN
COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OCc1ccccc1Cl	ZINC000000258727	521921340	/nfs/dbraw/zinc/92/13/40/521921340.db2.gz	FYIWPEZHWMFQFF-XFXZXTDPSA-N	0	0	333.771	4.565	50	5		EJBARN
CCCCc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000226762391	535093432	/nfs/dbraw/zinc/09/34/32/535093432.db2.gz	QLYNLUFGSXLWFK-UHFFFAOYSA-N	0	0	326.396	4.622	50	5		EJBARN
CC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	ZINC000008146722	563622350	/nfs/dbraw/zinc/62/23/50/563622350.db2.gz	JAGHOGINQNAZKU-UHFFFAOYSA-N	0	0	326.135	4.897	50	5		EJBARN
O=C(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000319073	563990905	/nfs/dbraw/zinc/99/09/05/563990905.db2.gz	ZMJJASOLGOENTF-UHFFFAOYSA-N	0	0	330.554	4.786	50	5		EJBARN
c1ccc(CNc2nnc3c4ccccc4c4ccccc4c3n2)cc1	ZINC000000174100	563252318	/nfs/dbraw/zinc/25/23/18/563252318.db2.gz	CDVHJOHPDADZBS-UHFFFAOYSA-N	0	0	336.398	4.943	50	5		EJBARN
Clc1cc2nc3sc4nc5ccccc5n4c3nc2cc1Cl	ZINC000002882928	563461096	/nfs/dbraw/zinc/46/10/96/563461096.db2.gz	LIAIXVBOYLBAMO-UHFFFAOYSA-N	0	0	345.214	4.952	50	5		EJBARN
COc1ccc(CSc2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000000033174	563967505	/nfs/dbraw/zinc/96/75/05/563967505.db2.gz	AGMOYBSXRXYPHG-UHFFFAOYSA-N	0	0	332.406	4.505	50	5		EJBARN
O=[N+]([O-])c1ccc(-n2nc(-c3ccco3)cc2-c2ccccc2)cc1	ZINC000000037902	563968373	/nfs/dbraw/zinc/96/83/73/563968373.db2.gz	OLMYNLUPLAZPQF-UHFFFAOYSA-N	0	0	331.331	4.708	50	5		EJBARN
O=C(Nc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000040839	563968630	/nfs/dbraw/zinc/96/86/30/563968630.db2.gz	GOQHOCZTYAECCL-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1	ZINC000000061515	563971255	/nfs/dbraw/zinc/97/12/55/563971255.db2.gz	KWZZPKWQBUBSBE-UHFFFAOYSA-N	0	0	327.343	4.872	50	5		EJBARN
Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(Cl)cccc1Cl	ZINC000004794788	563974695	/nfs/dbraw/zinc/97/46/95/563974695.db2.gz	VAKAABNKPKIHOS-UHFFFAOYSA-N	0	0	340.166	4.854	50	5		EJBARN
O=C(CCc1ccccc1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000098657	563976477	/nfs/dbraw/zinc/97/64/77/563976477.db2.gz	BVRSZVZYIAFOIE-UHFFFAOYSA-N	0	0	346.386	4.833	50	5		EJBARN
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000102778	563982142	/nfs/dbraw/zinc/98/21/42/563982142.db2.gz	CZKJNORWSDOONQ-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000102801	563982186	/nfs/dbraw/zinc/98/21/86/563982186.db2.gz	HFQOMTGFSFHQMB-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=C(Oc1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000000135979	563986907	/nfs/dbraw/zinc/98/69/07/563986907.db2.gz	FBSKJINXMXKYDR-UHFFFAOYSA-N	0	0	335.315	4.606	50	5		EJBARN
CC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	ZINC000000132908	563986935	/nfs/dbraw/zinc/98/69/35/563986935.db2.gz	DSHDOBQVSBMJGA-UHFFFAOYSA-N	0	0	340.162	4.683	50	5		EJBARN
Cc1cc(Oc2ncccc2[N+](=O)[O-])c2c(Cl)ccc(C)c2n1	ZINC000000167026	563987458	/nfs/dbraw/zinc/98/74/58/563987458.db2.gz	MWOSIXWGMRBXGU-UHFFFAOYSA-N	0	0	329.743	4.601	50	5		EJBARN
O=Cc1ccc(Sc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000000166396	563987468	/nfs/dbraw/zinc/98/74/68/563987468.db2.gz	ZLWIWPAQMKICRR-UHFFFAOYSA-N	0	0	327.283	4.577	50	5		EJBARN
CC[C@H](C)c1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	ZINC000000171594	563987589	/nfs/dbraw/zinc/98/75/89/563987589.db2.gz	NKVPZUGKXCVNQJ-LBPRGKRZSA-N	0	0	337.379	4.842	50	5		EJBARN
COc1ccc(Nc2cc(C)nc3c(C)cc(C)c([N+](=O)[O-])c23)cc1	ZINC000000183392	563987905	/nfs/dbraw/zinc/98/79/05/563987905.db2.gz	ZWOQATWEBWQJPE-UHFFFAOYSA-N	0	0	337.379	4.820	50	5		EJBARN
Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	ZINC000000219198	563988661	/nfs/dbraw/zinc/98/86/61/563988661.db2.gz	ZKEJSOXMJWRGDE-UHFFFAOYSA-N	0	0	346.386	4.674	50	5		EJBARN
O=[N+]([O-])c1cccc2nc(-c3ccccc3)c(-c3ccccc3)nc21	ZINC000000256395	563989593	/nfs/dbraw/zinc/98/95/93/563989593.db2.gz	NFPAOZPFNYQIBX-UHFFFAOYSA-N	0	0	327.343	4.872	50	5		EJBARN
Cc1cccc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)c1	ZINC000000253515	563989640	/nfs/dbraw/zinc/98/96/40/563989640.db2.gz	VUXYDCQNOWQHHI-UHFFFAOYSA-N	0	0	329.355	4.507	50	5		EJBARN
CCc1ccccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000308319	563990811	/nfs/dbraw/zinc/99/08/11/563990811.db2.gz	TUYFJCBVAGOJHN-UHFFFAOYSA-N	0	0	336.347	4.670	50	5		EJBARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc2ccccc2[nH]1	ZINC000000344695	563991348	/nfs/dbraw/zinc/99/13/48/563991348.db2.gz	DJUBQPHESZKDIY-UHFFFAOYSA-N	0	0	339.298	4.641	50	5		EJBARN
Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cccc1[N+](=O)[O-]	ZINC000000379779	563991801	/nfs/dbraw/zinc/99/18/01/563991801.db2.gz	DDQLVBZPBPFUPH-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000000375572	563991818	/nfs/dbraw/zinc/99/18/18/563991818.db2.gz	ZQPSVSUYGWVRNY-IZZDOVSWSA-N	0	0	342.370	4.683	50	5		EJBARN
O=C(Nc1cccc2ccsc21)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000408513632	563992726	/nfs/dbraw/zinc/99/27/26/563992726.db2.gz	YABVTSJVMXQTPD-UHFFFAOYSA-N	0	0	332.768	4.715	50	5		EJBARN
Cc1ccc(NC(=O)c2cccc3nc4ccccc4nc32)c(C)c1	ZINC000005257500	564001573	/nfs/dbraw/zinc/00/15/73/564001573.db2.gz	RQCGHQUTJMMHDL-UHFFFAOYSA-N	0	0	327.387	4.652	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2noc(-c3cc(Cl)ccc3Cl)n2)cc1	ZINC000000471887	564006106	/nfs/dbraw/zinc/00/61/06/564006106.db2.gz	NJAAVQUCZNYVIV-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
CCOc1cc2nc3c4ccccc4n(CC)c3nc2cc1OCC	ZINC000000501705	564019086	/nfs/dbraw/zinc/01/90/86/564019086.db2.gz	DWUAJJNXJYZMFX-UHFFFAOYSA-N	0	0	335.407	4.555	50	5		EJBARN
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2ccccc21	ZINC000000567707	564023228	/nfs/dbraw/zinc/02/32/28/564023228.db2.gz	HKZPHSZYGPAAHN-UHFFFAOYSA-N	0	0	349.371	4.610	50	5		EJBARN
O=[N+]([O-])c1ccc(OCc2ccc(F)c3cccnc23)c(Cl)c1	ZINC000024569630	564023964	/nfs/dbraw/zinc/02/39/64/564023964.db2.gz	REHZJNQGRQHXNA-UHFFFAOYSA-N	0	0	332.718	4.515	50	5		EJBARN
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000000587481	564024572	/nfs/dbraw/zinc/02/45/72/564024572.db2.gz	YBJJEJYTBGWMLZ-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000046018335	564029259	/nfs/dbraw/zinc/02/92/59/564029259.db2.gz	DCADICOGBCQMIU-QGZVFWFLSA-N	0	0	339.395	4.581	50	5		EJBARN
Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000046018457	564029269	/nfs/dbraw/zinc/02/92/69/564029269.db2.gz	QTSHDPJLOPCRCW-SFHVURJKSA-N	0	0	339.395	4.581	50	5		EJBARN
COc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12	ZINC000001165302	564054623	/nfs/dbraw/zinc/05/46/23/564054623.db2.gz	HSOJIRADAGJXFE-UHFFFAOYSA-N	0	0	341.750	4.641	50	5		EJBARN
Cc1cccc(C(=O)Nc2ccc3sc4ccccc4c(=O)c3c2)c1	ZINC000005942918	564057207	/nfs/dbraw/zinc/05/72/07/564057207.db2.gz	YYIRSOBKNGSRLB-UHFFFAOYSA-N	0	0	345.423	4.975	50	5		EJBARN
O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1	ZINC000003898825	564057866	/nfs/dbraw/zinc/05/78/66/564057866.db2.gz	UJRZNOKABKPMIK-OAQYLSRUSA-N	0	0	343.386	4.951	50	5		EJBARN
Cc1ccc(OCc2csc(Cc3ccccc3)n2)c([N+](=O)[O-])c1	ZINC000031652958	564057875	/nfs/dbraw/zinc/05/78/75/564057875.db2.gz	ZGXHMBAMDOZOSU-UHFFFAOYSA-N	0	0	340.404	4.530	50	5		EJBARN
O=c1[nH]c2nc(C(F)(F)F)cc(-c3ccccc3)c2c2ccccc12	ZINC000012597368	564060320	/nfs/dbraw/zinc/06/03/20/564060320.db2.gz	JHMZZAJWHPHJRK-UHFFFAOYSA-N	0	0	340.304	4.762	50	5		EJBARN
O=[N+]([O-])c1cccc(C=C2c3ccccc3C(O)c3ccccc32)c1	ZINC000001314617	564063111	/nfs/dbraw/zinc/06/31/11/564063111.db2.gz	BARAMELVKTUNBB-UHFFFAOYSA-N	0	0	329.355	4.579	50	5		EJBARN
O=[N+]([O-])c1ccc2sc(-c3nnc(-c4cccs4)o3)cc2c1	ZINC000001392869	564064430	/nfs/dbraw/zinc/06/44/30/564064430.db2.gz	YMWUDZIGXXUDBL-UHFFFAOYSA-N	0	0	329.362	4.588	50	5		EJBARN
O=[N+]([O-])c1c2cccnc2ccc1N1CCC(c2ccccc2)CC1	ZINC000084525561	564068490	/nfs/dbraw/zinc/06/84/90/564068490.db2.gz	QELCQEPGLWUDLE-UHFFFAOYSA-N	0	0	333.391	4.527	50	5		EJBARN
Cc1cc(OCc2coc(-c3cccc(Cl)c3)n2)ccc1[N+](=O)[O-]	ZINC000026050842	564074201	/nfs/dbraw/zinc/07/42/01/564074201.db2.gz	DVLYKDULORETMG-UHFFFAOYSA-N	0	0	344.754	4.791	50	5		EJBARN
C[C@H](Cc1ccccc1)NC(=O)c1c2ccccc2nc2ccccc21	ZINC000005357451	564076644	/nfs/dbraw/zinc/07/66/44/564076644.db2.gz	GUUUZBAEQWWJRV-MRXNPFEDSA-N	0	0	340.426	4.749	50	5		EJBARN
Cc1n[nH]cc1-c1cc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1	ZINC000053999188	564089170	/nfs/dbraw/zinc/08/91/70/564089170.db2.gz	SZJILVYFACGUPH-UHFFFAOYSA-N	0	0	330.347	4.509	50	5		EJBARN
CN(Cc1ccccc1F)Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000006652926	564095452	/nfs/dbraw/zinc/09/54/52/564095452.db2.gz	MXZNFHARDRAINN-UHFFFAOYSA-N	0	0	347.389	4.717	50	5		EJBARN
CCc1nn2c(nccc2-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1	ZINC000006755626	564097149	/nfs/dbraw/zinc/09/71/49/564097149.db2.gz	XQUWYARIOHNYAS-UHFFFAOYSA-N	0	0	344.374	4.534	50	5		EJBARN
C[C@@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1	ZINC000006787641	564097810	/nfs/dbraw/zinc/09/78/10/564097810.db2.gz	JJQURHSZRVTFTM-GFCCVEGCSA-N	0	0	325.393	4.891	50	5		EJBARN
O=C(c1ccccc1)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1	ZINC000006866868	564100059	/nfs/dbraw/zinc/10/00/59/564100059.db2.gz	RVKWKJULZOWIMO-UHFFFAOYSA-N	0	0	338.407	4.961	50	5		EJBARN
C[C@@H](Sc1ncc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1	ZINC000007179210	564105600	/nfs/dbraw/zinc/10/56/00/564105600.db2.gz	XNNJJLZYPUTPQW-CYBMUJFWSA-N	0	0	339.420	4.849	50	5		EJBARN
CCn1c(-c2ccccc2)c(C)s/c1=N\c1cccc([N+](=O)[O-])c1	ZINC000016711359	564112778	/nfs/dbraw/zinc/11/27/78/564112778.db2.gz	ALXQIYOPRHRQJV-HNENSFHCSA-N	0	0	339.420	4.686	50	5		EJBARN
COc1ccccc1/C=C/C=C\c1nc2cc([N+](=O)[O-])ccc2s1	ZINC000208899790	564120569	/nfs/dbraw/zinc/12/05/69/564120569.db2.gz	CSVBOGHGSIISEX-FSIVZHEYSA-N	0	0	338.388	4.940	50	5		EJBARN
O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1	ZINC000057292077	564153502	/nfs/dbraw/zinc/15/35/02/564153502.db2.gz	RTPINXTVHBPRKJ-INIZCTEOSA-N	0	0	339.420	4.542	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)NC(c1ccccc1)c1ccccc1	ZINC000003086089	564155065	/nfs/dbraw/zinc/15/50/65/564155065.db2.gz	RVYGCUQFFGPFAR-UHFFFAOYSA-N	0	0	347.374	4.506	50	5		EJBARN
O=[N+]([O-])c1ccc2nonc2c1Nc1ccc(Oc2ccccc2)cc1	ZINC000003879189	564159560	/nfs/dbraw/zinc/15/95/60/564159560.db2.gz	VLISLEMRANMOSP-UHFFFAOYSA-N	0	0	348.318	4.667	50	5		EJBARN
O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@H](c3ccco3)C2)cc1	ZINC000004265718	564161320	/nfs/dbraw/zinc/16/13/20/564161320.db2.gz	DCFSIJLWXJXSQC-SFHVURJKSA-N	0	0	333.347	4.544	50	5		EJBARN
O=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CC/C=C/CC/C=C\CC[C@H]12	ZINC000245238545	564168776	/nfs/dbraw/zinc/16/87/76/564168776.db2.gz	TVPSUVVLKOFAJS-PLCCKUGISA-N	0	0	340.423	4.862	50	5		EJBARN
Cc1cc([N+](=O)[O-])sc1N1CCC(c2cc3ccccc3[nH]2)CC1	ZINC000058543415	214594868	/nfs/dbraw/zinc/59/48/68/214594868.db2.gz	SNZNXOUDCHNZQL-UHFFFAOYSA-N	0	0	341.436	4.830	50	5		EJBARN
O=C(Oc1ccc2ccccc2c1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004591344	210228769	/nfs/dbraw/zinc/22/87/69/210228769.db2.gz	XEVXPSZBNCMIDV-UHFFFAOYSA-N	0	0	327.723	4.621	50	5		EJBARN
Cc1ccccc1NC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000004542795	210217625	/nfs/dbraw/zinc/21/76/25/210217625.db2.gz	NTWVAEJOKCPMIF-ZRDIBKRKSA-N	0	0	348.358	4.815	50	5		EJBARN
C[C@@H]1CCC(C)(C)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000004299897	210163822	/nfs/dbraw/zinc/16/38/22/210163822.db2.gz	VMKKQHDDHAONSJ-LLVKDONJSA-N	0	0	330.350	4.876	50	5		EJBARN
O=C(Nc1nc2ccc(Cl)cc2s1)Nc1ccc([N+](=O)[O-])cc1	ZINC000004079344	210114681	/nfs/dbraw/zinc/11/46/81/210114681.db2.gz	VNZCQFALQYFMRF-UHFFFAOYSA-N	0	0	348.771	4.502	50	5		EJBARN
O=[N+]([O-])c1ccc(N[C@H](c2c[nH]c3ccccc32)c2ccccn2)cc1	ZINC000004058918	210109996	/nfs/dbraw/zinc/10/99/96/210109996.db2.gz	RXEVGBKQCCLCDV-HXUWFJFHSA-N	0	0	344.374	4.673	50	5		EJBARN
Cc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-]	ZINC000003427658	210035975	/nfs/dbraw/zinc/03/59/75/210035975.db2.gz	GTRVEJYMQDADRX-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
CC(C)(C)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003330649	210009080	/nfs/dbraw/zinc/00/90/80/210009080.db2.gz	SHPLGDVSHNMSKP-UHFFFAOYSA-N	0	0	332.787	4.798	50	5		EJBARN
O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc3ccccc3s2)cc1	ZINC000068838075	215339808	/nfs/dbraw/zinc/33/98/08/215339808.db2.gz	RUBWJWPCHRARKK-HNNXBMFYSA-N	0	0	325.393	4.546	50	5		EJBARN
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000001959599	209807597	/nfs/dbraw/zinc/80/75/97/209807597.db2.gz	MRVPNQKJORSKBA-FPYGCLRLSA-N	0	0	337.162	4.554	50	5		EJBARN
Cc1ccc(C(C)C)c(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000001464874	209752530	/nfs/dbraw/zinc/75/25/30/209752530.db2.gz	JUAMTQLZYOGTKP-YRNVUSSQSA-N	0	0	325.364	4.645	50	5		EJBARN
Cc1cc2occ(/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)c2cc1Cl	ZINC000019923616	202026444	/nfs/dbraw/zinc/02/64/44/202026444.db2.gz	HSOHISJJKHHIKP-GORDUTHDSA-N	0	0	341.750	4.833	50	5		EJBARN
O=[N+]([O-])C[C@H]1c2ccccc2C=CN1Cc1c(Cl)cccc1Cl	ZINC000020506637	202046441	/nfs/dbraw/zinc/04/64/41/202046441.db2.gz	RXWVHONZSNOENW-KRWDZBQOSA-N	0	0	349.217	4.798	50	5		EJBARN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000027468644	202154558	/nfs/dbraw/zinc/15/45/58/202154558.db2.gz	CZYVCGVPYRVQGM-KFNAQCHYSA-N	0	0	339.819	4.866	50	5	biogenic	EJBARN
O=C(Oc1ccc(Oc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000000083475	209408058	/nfs/dbraw/zinc/40/80/58/209408058.db2.gz	GUGDYXSTDGXCGM-UHFFFAOYSA-N	0	0	335.315	4.606	50	5		EJBARN
O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1	ZINC000000060033	209394208	/nfs/dbraw/zinc/39/42/08/209394208.db2.gz	NWHDXRGJIYUWFL-UHFFFAOYSA-N	0	0	336.322	4.653	50	5		EJBARN
CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000023323633	212367980	/nfs/dbraw/zinc/36/79/80/212367980.db2.gz	AQHJQQGJWLHYAH-UHFFFAOYSA-N	0	0	344.386	4.698	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ccccc1	ZINC000005063054	201636832	/nfs/dbraw/zinc/63/68/32/201636832.db2.gz	YYJSZRLCKKWQSO-UHFFFAOYSA-N	0	0	333.347	4.906	50	5		EJBARN
CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000020537118	212144924	/nfs/dbraw/zinc/14/49/24/212144924.db2.gz	BIWORVAOGCYXQS-HNNXBMFYSA-N	0	0	333.775	4.521	50	5		EJBARN
O=c1[nH]n(C2CCCCCC2)c2nc3c(cc12)oc1cc(O)ccc13	ZINC000095480757	203749695	/nfs/dbraw/zinc/74/96/95/203749695.db2.gz	QYPHGCWVQIRKDN-UHFFFAOYSA-N	0	0	337.379	4.637	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2cc3c(n2Cc2ccccc2)CCCC3)cc1	ZINC000095951733	203773872	/nfs/dbraw/zinc/77/38/72/203773872.db2.gz	FUKWKGPEWVYYIL-UHFFFAOYSA-N	0	0	332.403	4.990	50	5		EJBARN
CC(C)Cc1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C(C)C	ZINC000079481822	217231295	/nfs/dbraw/zinc/23/12/95/217231295.db2.gz	WHPQKLGAXOYQLC-UHFFFAOYSA-N	0	0	339.395	4.521	50	5		EJBARN
Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000000119919	205407677	/nfs/dbraw/zinc/40/76/77/205407677.db2.gz	PEDWNTZURKITSB-UHFFFAOYSA-N	0	0	333.343	4.789	50	5		EJBARN
Cc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000140356	206208457	/nfs/dbraw/zinc/20/84/57/206208457.db2.gz	GVYHUAYLNUHLAF-UHFFFAOYSA-N	0	0	332.787	4.932	50	5		EJBARN
O=C(Nc1cccc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000059903	206210501	/nfs/dbraw/zinc/21/05/01/206210501.db2.gz	QTYBCXVLXNGYMN-UHFFFAOYSA-N	0	0	326.739	4.654	50	5		EJBARN
O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC(Cl)(Cl)Cl	ZINC000095215488	218282631	/nfs/dbraw/zinc/28/26/31/218282631.db2.gz	DBJOGPUGRXTMPY-UHFFFAOYSA-N	0	0	325.362	4.608	50	5		EJBARN
O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccc(F)cc1	ZINC000008040507	210887230	/nfs/dbraw/zinc/88/72/30/210887230.db2.gz	LKMHMJMWBNUPQV-UHFFFAOYSA-N	0	0	347.349	4.799	50	5		EJBARN
O=[N+]([O-])c1ccc(N[C@H]2CCSc3ccccc32)c2ccncc21	ZINC000006820084	210722813	/nfs/dbraw/zinc/72/28/13/210722813.db2.gz	XLYFLNZEILAIER-INIZCTEOSA-N	0	0	337.404	4.792	50	5		EJBARN
O=[N+]([O-])c1cc(Cl)ccc1Sc1nccn1Cc1ccccc1	ZINC000005042245	210372984	/nfs/dbraw/zinc/37/29/84/210372984.db2.gz	XBJPCEYHENXDLP-UHFFFAOYSA-N	0	0	345.811	4.644	50	5		EJBARN
Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc(F)cc1	ZINC000005033376	210370219	/nfs/dbraw/zinc/37/02/19/210370219.db2.gz	PXMCGZVNOUFWHF-UHFFFAOYSA-N	0	0	340.310	4.555	50	5		EJBARN
CCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc21	ZINC000004978629	210347177	/nfs/dbraw/zinc/34/71/77/210347177.db2.gz	GDKCQKXZEFPKQP-ZRDIBKRKSA-N	0	0	348.358	4.629	50	5		EJBARN
Cc1ccccc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000004857327	210303098	/nfs/dbraw/zinc/30/30/98/210303098.db2.gz	HMOGJBGQBJGDNT-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
CC(C)COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000004819664	210286302	/nfs/dbraw/zinc/28/63/02/210286302.db2.gz	SITOKFPMMANICA-UHFFFAOYSA-N	0	0	348.786	4.535	50	5		EJBARN
Cc1cc(C)c(C)c(OC(=O)c2cccc3nc4ccccc4nc32)c1	ZINC000004834309	210292061	/nfs/dbraw/zinc/29/20/61/210292061.db2.gz	PJFXGUVXFNPEBE-UHFFFAOYSA-N	0	0	342.398	4.927	50	5		EJBARN
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000004819884	210287910	/nfs/dbraw/zinc/28/79/10/210287910.db2.gz	TWZWXDMZQSXWGQ-FPYGCLRLSA-N	0	0	337.162	4.554	50	5		EJBARN
O=C(Nc1ccccc1Cl)c1cc2c(ccc3ccccc32)oc1=O	ZINC000004810350	210282953	/nfs/dbraw/zinc/28/29/53/210282953.db2.gz	DCGZFIVTMSZBEU-UHFFFAOYSA-N	0	0	349.773	4.852	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cccc1Cl	ZINC000004794685	210280329	/nfs/dbraw/zinc/28/03/29/210280329.db2.gz	SXCJBUKFQGXJAH-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
CC[C@H](c1ccccc1)[C@H](CC)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004795078	210280144	/nfs/dbraw/zinc/28/01/44/210280144.db2.gz	IJYZEAYSSXMGPU-MSOLQXFVSA-N	0	0	327.380	4.724	50	5		EJBARN
Cc1ccc(NC(=O)Oc2cc(C)c(Cl)cc2C)c([N+](=O)[O-])c1	ZINC000004799751	210279937	/nfs/dbraw/zinc/27/99/37/210279937.db2.gz	TUUAAIZEVXUXLE-UHFFFAOYSA-N	0	0	334.759	4.784	50	5		EJBARN
O=C(c1sc(Cl)c(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000004792686	210279158	/nfs/dbraw/zinc/27/91/58/210279158.db2.gz	JXGRTXAZEDYRQD-UHFFFAOYSA-N	0	0	336.583	4.848	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2nnc(Nc3ccc(Cl)cc3)s2)cc1	ZINC000000988405	262519177	/nfs/dbraw/zinc/51/91/77/262519177.db2.gz	OWTBIWNNXQZUQB-UHFFFAOYSA-N	0	0	332.772	4.510	50	5		EJBARN
CCCCc1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000226762398	535093443	/nfs/dbraw/zinc/09/34/43/535093443.db2.gz	BMZQQAGOVPRKET-UHFFFAOYSA-N	0	0	326.396	4.622	50	5		EJBARN
O=[N+]([O-])C1=Cc2cc(Cl)cc(Cl)c2O[C@H]1c1ccc(F)cc1	ZINC000000103578	563226590	/nfs/dbraw/zinc/22/65/90/563226590.db2.gz	JXSYYURINMMYGR-HNNXBMFYSA-N	0	0	340.137	4.884	50	5		EJBARN
COc1ccc(-c2cc3c(ccc4ccccc43)oc2=O)cc1OC	ZINC000000193275	563257300	/nfs/dbraw/zinc/25/73/00/563257300.db2.gz	RTHLUXXSEISSOY-UHFFFAOYSA-N	0	0	332.355	4.630	50	5	biogenic	EJBARN
COc1ccccc1Cn1c2ccccc2c2nc3ccccc3nc21	ZINC000000205524	563259826	/nfs/dbraw/zinc/25/98/26/563259826.db2.gz	QULNZERNIQPONB-UHFFFAOYSA-N	0	0	339.398	4.795	50	5		EJBARN
O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1cccs1	ZINC000004520560	563504224	/nfs/dbraw/zinc/50/42/24/563504224.db2.gz	DZSBNBCCZPKIOW-UHFFFAOYSA-N	0	0	337.425	4.729	50	5		EJBARN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc2ccccc2o1	ZINC000004526060	563757627	/nfs/dbraw/zinc/75/76/27/563757627.db2.gz	BAQRVTBQMUOXJQ-UHFFFAOYSA-N	0	0	330.727	4.555	50	5		EJBARN
O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)C1CCCCC1	ZINC000016525189	563814066	/nfs/dbraw/zinc/81/40/66/563814066.db2.gz	KMFSUQCOTFAJQD-UHFFFAOYSA-N	0	0	337.444	4.934	50	5		EJBARN
Cc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3s2)cc(C)c1O	ZINC000097993158	563970429	/nfs/dbraw/zinc/97/04/29/563970429.db2.gz	GMZBCFPKBYPBQT-UTCJRWHESA-N	0	0	326.377	4.697	50	5		EJBARN
O=[N+]([O-])c1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1	ZINC000000088610	563974641	/nfs/dbraw/zinc/97/46/41/563974641.db2.gz	HIIHAYFNKUFGER-UHFFFAOYSA-N	0	0	345.402	4.620	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2)cc1	ZINC000000125188	563986800	/nfs/dbraw/zinc/98/68/00/563986800.db2.gz	PICIHIQJPMRKKN-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1	ZINC000000144759	563987067	/nfs/dbraw/zinc/98/70/67/563987067.db2.gz	RCABTWOEVNTODW-IBGZPJMESA-N	0	0	342.358	4.584	50	5		EJBARN
COc1ccccc1Nc1cc(C)nc2c(C)c(C)cc([N+](=O)[O-])c12	ZINC000000183394	563987923	/nfs/dbraw/zinc/98/79/23/563987923.db2.gz	FYJZYQZXUXUNFZ-UHFFFAOYSA-N	0	0	337.379	4.820	50	5		EJBARN
O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)o1	ZINC000000190437	563988110	/nfs/dbraw/zinc/98/81/10/563988110.db2.gz	PEYAYDLYYOQRKF-KBOKABMXSA-N	0	0	349.346	4.802	50	5		EJBARN
CC(C)(C)C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000000258720	563989486	/nfs/dbraw/zinc/98/94/86/563989486.db2.gz	TWBLPCISEHITTR-UHFFFAOYSA-N	0	0	330.409	4.731	50	5		EJBARN
O=[N+]([O-])c1cc(OCC(F)(F)C(F)F)cc(Oc2ccccc2)c1	ZINC000000255407	563989555	/nfs/dbraw/zinc/98/95/55/563989555.db2.gz	JIXNYGHAPJBXMI-UHFFFAOYSA-N	0	0	345.248	4.666	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000000273890	563990103	/nfs/dbraw/zinc/99/01/03/563990103.db2.gz	HCHGXOWRPBFORM-UHFFFAOYSA-N	0	0	349.773	4.852	50	5		EJBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl	ZINC000000303465	563990781	/nfs/dbraw/zinc/99/07/81/563990781.db2.gz	ZVGVNVDBIMOHRG-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=C(c1cccc([N+](=O)[O-])c1)N(C1CCCCC1)C1CCCCC1	ZINC000000340582	563991380	/nfs/dbraw/zinc/99/13/80/563991380.db2.gz	CLJAGUAJZRHVBK-UHFFFAOYSA-N	0	0	330.428	4.702	50	5		EJBARN
O=C(/C=C/c1ccccc1)Nc1cc2c(ccc3ccccc32)oc1=O	ZINC000000381316	563991946	/nfs/dbraw/zinc/99/19/46/563991946.db2.gz	VSYVYZYGOMGTHO-JLHYYAGUSA-N	0	0	341.366	4.598	50	5		EJBARN
Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000000439796	563999342	/nfs/dbraw/zinc/99/93/42/563999342.db2.gz	HRXQMJQSYKUKOT-ACCUITESSA-N	0	0	348.358	4.815	50	5		EJBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2ccccc2)cc1	ZINC000000225550	563999646	/nfs/dbraw/zinc/99/96/46/563999646.db2.gz	ZSQKOOGYFHUBAS-OVCLIPMQSA-N	0	0	345.354	4.881	50	5	biogenic	EJBARN
O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000000455425	563999762	/nfs/dbraw/zinc/99/97/62/563999762.db2.gz	FYUIDYXCDFDEPJ-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
Cc1ccc(Oc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005633880	564006810	/nfs/dbraw/zinc/00/68/10/564006810.db2.gz	DOGUIWZCJQIVLZ-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005641446	564006891	/nfs/dbraw/zinc/00/68/91/564006891.db2.gz	FJQWOMUEEXKMKE-UHFFFAOYSA-N	0	0	346.814	4.689	50	5		EJBARN
CC(C)N(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)C(C)C	ZINC000000484871	564016913	/nfs/dbraw/zinc/01/69/13/564016913.db2.gz	WSYWTUBOWGOMKG-UHFFFAOYSA-N	0	0	340.832	4.722	50	5		EJBARN
COc1ccccc1COc1cc(C)c2c(c1)oc(=O)c1ccccc12	ZINC000000488453	564017333	/nfs/dbraw/zinc/01/73/33/564017333.db2.gz	MOUZZKSALSLSJP-UHFFFAOYSA-N	0	0	346.382	4.842	50	5	biogenic	EJBARN
Cc1nc2sc3c(c2c(Oc2ccccc2[N+](=O)[O-])n1)CCCC3	ZINC000001098252	564054424	/nfs/dbraw/zinc/05/44/24/564054424.db2.gz	RYMVUQHCNCEXCW-UHFFFAOYSA-N	0	0	341.392	4.579	50	5		EJBARN
COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc12	ZINC000001165138	564054577	/nfs/dbraw/zinc/05/45/77/564054577.db2.gz	AWEDSPFBCMJRSN-UHFFFAOYSA-N	0	0	341.750	4.641	50	5		EJBARN
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc12	ZINC000001165273	564054606	/nfs/dbraw/zinc/05/46/06/564054606.db2.gz	OSKHHVAANPGEID-UHFFFAOYSA-N	0	0	341.750	4.641	50	5		EJBARN
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1c1nc2ccccc2s1	ZINC000015168729	564056042	/nfs/dbraw/zinc/05/60/42/564056042.db2.gz	OYPDCXIQJNCENU-AWEZNQCLSA-N	0	0	343.383	4.685	50	5		EJBARN
O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])s1	ZINC000005947534	564057243	/nfs/dbraw/zinc/05/72/43/564057243.db2.gz	HOIOOXCYXYYDFN-UHFFFAOYSA-N	0	0	340.360	4.701	50	5		EJBARN
O=[N+]([O-])c1ccc2nc(Nc3ccccc3SC(F)F)oc2c1	ZINC000012546064	564058864	/nfs/dbraw/zinc/05/88/64/564058864.db2.gz	SYNYJOCFRFUGEF-UHFFFAOYSA-N	0	0	337.307	4.794	50	5		EJBARN
O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1cc(Cl)ccc1Cl	ZINC000004078809	564061841	/nfs/dbraw/zinc/06/18/41/564061841.db2.gz	QEWPFRDNUMNVJA-GORDUTHDSA-N	0	0	343.191	4.615	50	5		EJBARN
O=C1c2ccccc2C(=Cc2cccc([N+](=O)[O-])c2)c2ccccc21	ZINC000001721763	564082909	/nfs/dbraw/zinc/08/29/09/564082909.db2.gz	ZPZRZGRYXFNFKL-UHFFFAOYSA-N	0	0	327.339	4.728	50	5		EJBARN
Cc1cc(OC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(C)c1Cl	ZINC000001753524	564087229	/nfs/dbraw/zinc/08/72/29/564087229.db2.gz	VMWCOTMEEOAMSV-UHFFFAOYSA-N	0	0	338.722	4.615	50	5		EJBARN
O=[N+]([O-])c1ccccc1Oc1ncnc2sc3c(c21)CCCCC3	ZINC000006881342	564100581	/nfs/dbraw/zinc/10/05/81/564100581.db2.gz	RAFALHAFVAUJPI-UHFFFAOYSA-N	0	0	341.392	4.661	50	5		EJBARN
O=c1oc2ccccc2c(Nc2cccc3ccccc32)c1[N+](=O)[O-]	ZINC000017122449	564116483	/nfs/dbraw/zinc/11/64/83/564116483.db2.gz	RVXDCCXHPUPBRH-UHFFFAOYSA-N	0	0	332.315	4.598	50	5		EJBARN
O=C(Nc1ccc2ccccc2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000007654091	564121585	/nfs/dbraw/zinc/12/15/85/564121585.db2.gz	DDHMVCXMFNFEPV-UHFFFAOYSA-N	0	0	347.374	4.575	50	5		EJBARN
c1ccc2[nH]c(-n3c4nc5ccccc5c-4nc4ccccc43)nc2c1	ZINC000409418106	564133738	/nfs/dbraw/zinc/13/37/38/564133738.db2.gz	SWVLSSFNEWRLQR-UHFFFAOYSA-N	0	0	335.370	4.555	50	5		EJBARN
C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1	ZINC000002622239	564151217	/nfs/dbraw/zinc/15/12/17/564151217.db2.gz	PZXAPZMPOJKIQI-VIFPVBQESA-N	0	0	339.178	4.644	50	5		EJBARN
CCCCCN(CCCCC)C(=S)Nc1cccc([N+](=O)[O-])c1	ZINC000002857845	564152853	/nfs/dbraw/zinc/15/28/53/564152853.db2.gz	IPTZDPPRFSYHEF-UHFFFAOYSA-N	0	0	337.489	4.974	50	5		EJBARN
O=C(Nc1ccc(SC2CCCC2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000030183832	564155521	/nfs/dbraw/zinc/15/55/21/564155521.db2.gz	JVMMEPSXBGTAQM-UHFFFAOYSA-N	0	0	342.420	4.882	50	5		EJBARN
O=[N+]([O-])c1ccc(Nc2ccc(Oc3cnccn3)cc2)c(Cl)c1	ZINC000058085299	564157498	/nfs/dbraw/zinc/15/74/98/564157498.db2.gz	SQDHLURUDLHQDS-UHFFFAOYSA-N	0	0	342.742	4.574	50	5		EJBARN
CC(C)CCNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1	ZINC000003454130	564158224	/nfs/dbraw/zinc/15/82/24/564158224.db2.gz	JRFDWDNOPJORHY-UHFFFAOYSA-N	0	0	344.436	4.522	50	5		EJBARN
O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-]	ZINC000004056782	564160259	/nfs/dbraw/zinc/16/02/59/564160259.db2.gz	UPHYAXZICGIZRR-CMDGGOBGSA-N	0	0	337.162	4.554	50	5		EJBARN
CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1(C)C	ZINC000008306556	564164149	/nfs/dbraw/zinc/16/41/49/564164149.db2.gz	GEIMOGDGLAYABJ-CRAIPNDOSA-N	0	0	338.407	4.925	50	5		EJBARN
O=[N+]([O-])c1ccc(Cl)cc1NCCOc1cccc2ccccc21	ZINC000004694075	210249008	/nfs/dbraw/zinc/24/90/08/210249008.db2.gz	OLPSIRPVHSJNNY-UHFFFAOYSA-N	0	0	342.782	4.892	50	5		EJBARN
O=[N+]([O-])c1ccc(COc2cccc(CNc3ccccc3)c2)cc1	ZINC000004682169	210246617	/nfs/dbraw/zinc/24/66/17/210246617.db2.gz	LLIZRHMKUACNRX-UHFFFAOYSA-N	0	0	334.375	4.786	50	5		EJBARN
O=[N+]([O-])c1ccc(Nc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1	ZINC000004616266	210232048	/nfs/dbraw/zinc/23/20/48/210232048.db2.gz	VEXAPKARXOZMKV-UHFFFAOYSA-N	0	0	328.111	4.553	50	5		EJBARN
CCCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1	ZINC000004583109	210226538	/nfs/dbraw/zinc/22/65/38/210226538.db2.gz	CCYLVNIKZLHEFO-UHFFFAOYSA-N	0	0	327.384	4.742	50	5		EJBARN
CCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	ZINC000004159341	210135267	/nfs/dbraw/zinc/13/52/67/210135267.db2.gz	KYXYMTHHKSJJSJ-UHFFFAOYSA-N	0	0	342.395	4.543	50	5		EJBARN
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(c1ccccc1)c1ccccc1	ZINC000004020384	210101638	/nfs/dbraw/zinc/10/16/38/210101638.db2.gz	QZGDKFQMFMANKP-UHFFFAOYSA-N	0	0	346.386	4.674	50	5		EJBARN
O=[N+]([O-])c1ccc2nonc2c1Nc1ccc(-c2ccccc2)cc1	ZINC000003904271	210089056	/nfs/dbraw/zinc/08/90/56/210089056.db2.gz	NUMXFGLVUZQIFW-UHFFFAOYSA-N	0	0	332.319	4.542	50	5		EJBARN
COc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1	ZINC000003893122	210085187	/nfs/dbraw/zinc/08/51/87/210085187.db2.gz	FKVHCMRBKKNTHE-UHFFFAOYSA-N	0	0	339.398	4.795	50	5		EJBARN
C[C@@H]1Cc2ccccc2N1Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000003390326	210024708	/nfs/dbraw/zinc/02/47/08/210024708.db2.gz	IGPDPYZBYVXJGX-OAHLLOKOSA-N	0	0	341.410	4.897	50	5		EJBARN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1	ZINC000003302602	210002476	/nfs/dbraw/zinc/00/24/76/210002476.db2.gz	ANGJDSMQSWARLS-UHFFFAOYSA-N	0	0	333.343	4.619	50	5		EJBARN
Cc1ccc(C(C)C)c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000003278985	209996425	/nfs/dbraw/zinc/99/64/25/209996425.db2.gz	ZWSJPHQFKNTARL-UHFFFAOYSA-N	0	0	333.771	4.899	50	5		EJBARN
CCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000002897592	209939207	/nfs/dbraw/zinc/93/92/07/209939207.db2.gz	FUTUGUHWEHBAFG-UHFFFAOYSA-N	0	0	348.786	4.679	50	5		EJBARN
CCCCOc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1	ZINC000001797523	209795300	/nfs/dbraw/zinc/79/53/00/209795300.db2.gz	QIEVQLDXHCUQKM-UHFFFAOYSA-N	0	0	339.347	4.547	50	5		EJBARN
Cc1ccc([N+](=O)[O-])c(OCc2csc(Cc3ccccc3)n2)c1	ZINC000031652577	202208021	/nfs/dbraw/zinc/20/80/21/202208021.db2.gz	ZZBVGFKSHDKXRU-UHFFFAOYSA-N	0	0	340.404	4.530	50	5		EJBARN
CC(=O)c1c(C)cc(C)c(CNc2cccc([N+](=O)[O-])c2C)c1C	ZINC000036619766	213103433	/nfs/dbraw/zinc/10/34/33/213103433.db2.gz	KOAWSYBXFWUYIP-UHFFFAOYSA-N	0	0	326.396	4.643	50	5		EJBARN
Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000036620939	202327569	/nfs/dbraw/zinc/32/75/69/202327569.db2.gz	HPIPIYPDQDYOLK-SFHVURJKSA-N	0	0	339.395	4.581	50	5		EJBARN
Cc1c(OCc2cccc(F)c2)ccc2c3ccccc3c(=O)oc12	ZINC000000317841	209534436	/nfs/dbraw/zinc/53/44/36/209534436.db2.gz	DOIBOCIZPSTDOA-UHFFFAOYSA-N	0	0	334.346	4.973	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(c1ccccc1)c1ccccc1	ZINC000000295458	209521814	/nfs/dbraw/zinc/52/18/14/209521814.db2.gz	OOGFWLIZACYXJR-UHFFFAOYSA-N	0	0	346.386	4.674	50	5		EJBARN
CC(C)n1c2c(c(=S)nc1-c1ccc([N+](=O)[O-])cc1)CCCC2	ZINC000000202439	209481017	/nfs/dbraw/zinc/48/10/17/209481017.db2.gz	LCTHINNEZZLRFE-UHFFFAOYSA-N	0	0	329.425	4.647	50	5		EJBARN
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-]	ZINC000000131499	209440544	/nfs/dbraw/zinc/44/05/44/209440544.db2.gz	VCPZUGGKOPRFFP-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2nc3ccccc3c(N3CCCCCC3)n2)cc1	ZINC000000072033	209402083	/nfs/dbraw/zinc/40/20/83/209402083.db2.gz	HIUUTLFDXOJYHH-UHFFFAOYSA-N	0	0	348.406	4.585	50	5		EJBARN
O=C(SCc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])o1	ZINC000000066732	209398696	/nfs/dbraw/zinc/39/86/96/209398696.db2.gz	AOCGUEOYJUMIQF-UHFFFAOYSA-N	0	0	332.164	4.568	50	5		EJBARN
O=C(Oc1cccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000068140	209398334	/nfs/dbraw/zinc/39/83/34/209398334.db2.gz	MCKJVLDNOWRHHT-UHFFFAOYSA-N	0	0	327.723	4.621	50	5		EJBARN
Cc1c(OCc2ccccc2F)ccc2c3ccccc3c(=O)oc12	ZINC000000046595	209389545	/nfs/dbraw/zinc/38/95/45/209389545.db2.gz	DCFSEKGTAARFBB-UHFFFAOYSA-N	0	0	334.346	4.973	50	5		EJBARN
Cc1ccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	ZINC000000122049	201438140	/nfs/dbraw/zinc/43/81/40/201438140.db2.gz	MHNFXDUHITWHAT-FQEVSTJZSA-N	0	0	347.370	4.850	50	5		EJBARN
CC(C)c1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	ZINC000000318158	201461038	/nfs/dbraw/zinc/46/10/38/201461038.db2.gz	HNWCMVIYDHNVBO-BJMVGYQFSA-N	0	0	328.343	4.509	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1Cl	ZINC000048050752	204339147	/nfs/dbraw/zinc/33/91/47/204339147.db2.gz	GTPXCJPQHZSOGF-INIZCTEOSA-N	0	0	345.786	4.617	50	5		EJBARN
O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000103055	206208635	/nfs/dbraw/zinc/20/86/35/206208635.db2.gz	DPTAHNHKWVZHEN-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
CC(C)(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000006214394	206513111	/nfs/dbraw/zinc/51/31/11/206513111.db2.gz	RJTUTZMTEUVICA-UHFFFAOYSA-N	0	0	332.787	4.798	50	5		EJBARN
O=[N+]([O-])c1ccc(NCc2coc(-c3cccs3)n2)c(Cl)c1	ZINC000011168625	211207178	/nfs/dbraw/zinc/20/71/78/211207178.db2.gz	VMELYXDVXUHSMM-UHFFFAOYSA-N	0	0	335.772	4.577	50	5		EJBARN
CCc1ccccc1NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000005939843	210564024	/nfs/dbraw/zinc/56/40/24/210564024.db2.gz	NEINIBXMPFHXCV-UHFFFAOYSA-N	0	0	335.816	4.620	50	5		EJBARN
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CCCCC1	ZINC000004983746	210348074	/nfs/dbraw/zinc/34/80/74/210348074.db2.gz	BMQIKAIGPZQQFM-UHFFFAOYSA-N	0	0	339.395	4.592	50	5		EJBARN
Cc1cc(Cl)cc(C)c1OC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000004795126	210280497	/nfs/dbraw/zinc/28/04/97/210280497.db2.gz	JVLNYCSRKOZBEY-UHFFFAOYSA-N	0	0	338.722	4.615	50	5		EJBARN
Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)csc1-c1ccccc1	ZINC000000308578	258047913	/nfs/dbraw/zinc/04/79/13/258047913.db2.gz	VQSIMGZYWMLUOD-UHFFFAOYSA-N	0	0	338.388	4.884	50	5		EJBARN
O=[N+]([O-])c1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000017071496	564116293	/nfs/dbraw/zinc/11/62/93/564116293.db2.gz	GGBHKELVWNMVCT-UHFFFAOYSA-N	0	0	342.207	4.711	50	5		EJBARN
COc1ccc(COc2ccc3c4ccccc4c(=O)oc3c2C)cc1	ZINC000000403695	563306344	/nfs/dbraw/zinc/30/63/44/563306344.db2.gz	IUDUEONZSHLLFM-UHFFFAOYSA-N	0	0	346.382	4.842	50	5		EJBARN
O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc2ccccc2c1	ZINC000000619004	563360639	/nfs/dbraw/zinc/36/06/39/563360639.db2.gz	JLDCIUDARNVBLJ-UHFFFAOYSA-N	0	0	349.389	4.657	50	5		EJBARN
O=[N+]([O-])c1ccc2c(c1)nc(-c1ccccc1)c1cc([N+](=O)[O-])ccc21	ZINC000002545324	563440492	/nfs/dbraw/zinc/44/04/92/563440492.db2.gz	FCDIEAMONAJOJE-UHFFFAOYSA-N	0	0	345.314	4.871	50	5		EJBARN
CC(C)c1nc2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2o1	ZINC000032826241	563756734	/nfs/dbraw/zinc/75/67/34/563756734.db2.gz	VRYVLAABWARINS-UHFFFAOYSA-N	0	0	340.339	4.503	50	5		EJBARN
C[C@H](CCc1ccccc1)Nc1cc(N2CCCC2)ccc1[N+](=O)[O-]	ZINC000004543435	563762700	/nfs/dbraw/zinc/76/27/00/563762700.db2.gz	FFZOMMKSBOHSTC-MRXNPFEDSA-N	0	0	339.439	4.628	50	5		EJBARN
Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1C	ZINC000005804762	563887025	/nfs/dbraw/zinc/88/70/25/563887025.db2.gz	UBUYUQDCYKYGHR-UHFFFAOYSA-N	0	0	341.392	4.554	50	5		EJBARN
Cc1ccc2ncc(-c3ccc4c(ccc(C)c4[N+](=O)[O-])n3)cc2c1	ZINC000000054271	563971051	/nfs/dbraw/zinc/97/10/51/563971051.db2.gz	PNIMWLPDGWKXQK-UHFFFAOYSA-N	0	0	329.359	4.975	50	5		EJBARN
O=[N+]([O-])c1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1Cl	ZINC000004755380	563973126	/nfs/dbraw/zinc/97/31/26/563973126.db2.gz	LBARMIVCAAWUMK-QPJJXVBHSA-N	0	0	326.739	4.672	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000102999	563982157	/nfs/dbraw/zinc/98/21/57/563982157.db2.gz	KNKDCPJVMXMNKH-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cc([N+](=O)[O-])ccc4O[C@]312	ZINC000004834663	563984099	/nfs/dbraw/zinc/98/40/99/563984099.db2.gz	LMVAMOSFKOFKNX-RTWAWAEBSA-N	0	0	348.402	4.659	50	5		EJBARN
Cc1noc(C=CNc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-]	ZINC000100151953	563984173	/nfs/dbraw/zinc/98/41/73/563984173.db2.gz	HJOZLTVEOSODMU-VAWYXSNFSA-N	0	0	337.335	4.766	50	5		EJBARN
CC(=O)c1cc([N+](=O)[O-])c(SCc2ccc(Cl)cc2)s1	ZINC000000125369	563986773	/nfs/dbraw/zinc/98/67/73/563986773.db2.gz	RDTHPXUYMXYOOO-UHFFFAOYSA-N	0	0	327.814	4.805	50	5		EJBARN
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccccc2)cc1	ZINC000000168494	563987456	/nfs/dbraw/zinc/98/74/56/563987456.db2.gz	FJKAFKAPAIPSIM-UHFFFAOYSA-N	0	0	348.358	4.568	50	5		EJBARN
COc1ccccc1Nc1cc(C)nc2c(C)cc(C)c([N+](=O)[O-])c12	ZINC000000183390	563987887	/nfs/dbraw/zinc/98/78/87/563987887.db2.gz	USIJSJBRGYSPFO-UHFFFAOYSA-N	0	0	337.379	4.820	50	5		EJBARN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1	ZINC000000201807	563988301	/nfs/dbraw/zinc/98/83/01/563988301.db2.gz	WNSGAQRKXDCIDG-QPJJXVBHSA-N	0	0	337.162	4.554	50	5		EJBARN
CCOc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000000284243	563990249	/nfs/dbraw/zinc/99/02/49/563990249.db2.gz	ACXSOPQPDRXFTQ-UHFFFAOYSA-N	0	0	346.433	4.896	50	5		EJBARN
O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(Cl)cc3)no2)c1	ZINC000000316687	563990956	/nfs/dbraw/zinc/99/09/56/563990956.db2.gz	NJFKDVLDLZBTKJ-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
O=C(Nc1cccc(Cl)c1Cl)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000000441693	563999556	/nfs/dbraw/zinc/99/95/56/563999556.db2.gz	YESLGHBDQRCHHF-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
CC(C)c1nc2sc3ccccc3c(=O)c2c2nc3ccccc3n21	ZINC000005208900	564000638	/nfs/dbraw/zinc/00/06/38/564000638.db2.gz	RZIUTXRMZKIWNP-UHFFFAOYSA-N	0	0	345.427	4.734	50	5		EJBARN
O=C(OC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000000466907	564000785	/nfs/dbraw/zinc/00/07/85/564000785.db2.gz	CHMVNCZOEUNBIJ-UHFFFAOYSA-N	0	0	333.343	4.541	50	5		EJBARN
O=C(OC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000000466823	564000798	/nfs/dbraw/zinc/00/07/98/564000798.db2.gz	ONXIOLLMNBGYGB-UHFFFAOYSA-N	0	0	333.343	4.541	50	5		EJBARN
Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)cc1C	ZINC000005342595	564002821	/nfs/dbraw/zinc/00/28/21/564002821.db2.gz	FOVHULKKXDARHT-UHFFFAOYSA-N	0	0	342.398	4.935	50	5		EJBARN
CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000472029	564006192	/nfs/dbraw/zinc/00/61/92/564006192.db2.gz	SPSOOZFIKZUEGP-KGLIPLIRSA-N	0	0	326.396	4.851	50	5		EJBARN
CC(C)Cn1c(Sc2ccc(F)cc2)c([N+](=O)[O-])nc1C(C)C	ZINC000005633156	564006776	/nfs/dbraw/zinc/00/67/76/564006776.db2.gz	FJJPVOWNIYNJGT-UHFFFAOYSA-N	0	0	337.420	4.861	50	5		EJBARN
Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000046018459	564029282	/nfs/dbraw/zinc/02/92/82/564029282.db2.gz	QTSHDPJLOPCRCW-GOSISDBHSA-N	0	0	339.395	4.581	50	5		EJBARN
Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1[N+](=O)[O-]	ZINC000000859321	564051017	/nfs/dbraw/zinc/05/10/17/564051017.db2.gz	OYKULQVSGLDBIM-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
CCCCN(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000261493387	564056175	/nfs/dbraw/zinc/05/61/75/564056175.db2.gz	ACEFORGIYRDGCF-UHFFFAOYSA-N	0	0	328.368	4.538	50	5		EJBARN
C[C@H](C[C@H](C)COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000002056478	564093458	/nfs/dbraw/zinc/09/34/58/564093458.db2.gz	XIIABVOOWCPZQR-LSDHHAIUSA-N	0	0	327.380	4.582	50	5		EJBARN
O=C(CCc1ccccc1)Nc1ccc2c(c1)oc1ccccc1c2=O	ZINC000006661030	564095557	/nfs/dbraw/zinc/09/55/57/564095557.db2.gz	LRHQMQOYHTYFOW-UHFFFAOYSA-N	0	0	343.382	4.518	50	5		EJBARN
Cc1[nH]c2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2c1C	ZINC000064942498	564098184	/nfs/dbraw/zinc/09/81/84/564098184.db2.gz	XGPGPBRMHCSFDU-UHFFFAOYSA-N	0	0	346.390	4.853	50	5		EJBARN
Cc1ccc(-c2csc(NC(=O)CC3CCCC3)n2)cc1[N+](=O)[O-]	ZINC000089652170	564112904	/nfs/dbraw/zinc/11/29/04/564112904.db2.gz	XFCITURORXNMBP-UHFFFAOYSA-N	0	0	345.424	4.546	50	5		EJBARN
O=[N+]([O-])c1c(F)cccc1N1CCC(c2cc3ccccc3[nH]2)CC1	ZINC000065946545	564122443	/nfs/dbraw/zinc/12/24/43/564122443.db2.gz	UHBIHTCVLVVGDW-UHFFFAOYSA-N	0	0	339.370	4.599	50	5		EJBARN
C[C@@]12CCCC[C@@]13Oc1ccc([N+](=O)[O-])cc1CN3c1ccccc12	ZINC000002295535	564131749	/nfs/dbraw/zinc/13/17/49/564131749.db2.gz	ZECWOPIXKZIXBD-VQTJNVASSA-N	0	0	336.391	4.535	50	5		EJBARN
CCc1c(C)nc2ccccc2c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000096006630	564144524	/nfs/dbraw/zinc/14/45/24/564144524.db2.gz	IGGUZSDHJHGVJN-UHFFFAOYSA-N	0	0	349.390	4.575	50	5		EJBARN
CC[C@@](C)([N+](=O)[O-])C(C)(C)c1ccc(C(=O)c2ccccc2)cc1	ZINC000003080761	564155009	/nfs/dbraw/zinc/15/50/09/564155009.db2.gz	QMKCRAPASOFFPS-HXUWFJFHSA-N	0	0	325.408	4.641	50	5		EJBARN
Cc1noc(/C=C/c2ccc(-c3ccccc3Cl)o2)c1[N+](=O)[O-]	ZINC000003125450	564155316	/nfs/dbraw/zinc/15/53/16/564155316.db2.gz	YKJYDSZDWJRHHS-VQHVLOKHSA-N	0	0	330.727	4.975	50	5	aggregator	EJBARN
CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1(C)C	ZINC000008306557	564164121	/nfs/dbraw/zinc/16/41/21/564164121.db2.gz	GEIMOGDGLAYABJ-MAUKXSAKSA-N	0	0	338.407	4.925	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2cn(-c3ccc(Cl)cc3)c(=S)[nH]2)cc1	ZINC000008682929	564166284	/nfs/dbraw/zinc/16/62/84/564166284.db2.gz	KDGVBQGKNYKBRI-UHFFFAOYSA-N	0	0	331.784	4.763	50	5	aggregator	EJBARN
O=C(Nc1ccccc1[N+](=O)[O-])C1[C@@H]2CC/C=C/CC/C=C\CC[C@@H]12	ZINC000245238544	564168778	/nfs/dbraw/zinc/16/87/78/564168778.db2.gz	TVPSUVVLKOFAJS-IMTPOMJSSA-N	0	0	340.423	4.862	50	5		EJBARN
C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000058201823	214502453	/nfs/dbraw/zinc/50/24/53/214502453.db2.gz	PRSOBFTVKCFROP-SNVBAGLBSA-N	0	0	329.306	4.594	50	5		EJBARN
O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)cc1	ZINC000004265723	210156109	/nfs/dbraw/zinc/15/61/09/210156109.db2.gz	DCFSIJLWXJXSQC-GOSISDBHSA-N	0	0	333.347	4.544	50	5		EJBARN
O=Cc1ccc(SCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000003883329	210082969	/nfs/dbraw/zinc/08/29/69/210082969.db2.gz	AOIPZEHALCKGIL-UHFFFAOYSA-N	0	0	341.310	4.718	50	5		EJBARN
O=C(OCc1cccc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl	ZINC000003373523	210020843	/nfs/dbraw/zinc/02/08/43/210020843.db2.gz	VXDQHKKAHIUJAN-UHFFFAOYSA-N	0	0	347.779	4.820	50	5		EJBARN
CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1	ZINC000044085340	213607627	/nfs/dbraw/zinc/60/76/27/213607627.db2.gz	BPZGEXWNSCEJFH-UHFFFAOYSA-N	0	0	325.393	4.560	50	5		EJBARN
Cc1ccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000000859850	209692968	/nfs/dbraw/zinc/69/29/68/209692968.db2.gz	LLMDJGQLYRTMJD-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
CC(C)c1noc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)n1	ZINC000020898131	202057197	/nfs/dbraw/zinc/05/71/97/202057197.db2.gz	VXWUVFAJLUNQSJ-UHFFFAOYSA-N	0	0	330.388	4.513	50	5		EJBARN
Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000036620940	213104491	/nfs/dbraw/zinc/10/44/91/213104491.db2.gz	HPIPIYPDQDYOLK-GOSISDBHSA-N	0	0	339.395	4.581	50	5		EJBARN
O=C(/C=C/c1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000000441759	209601079	/nfs/dbraw/zinc/60/10/79/209601079.db2.gz	VXOWURLJSKXGMV-VMPITWQZSA-N	0	0	337.162	4.554	50	5		EJBARN
CC(C)(C)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000032935949	212878661	/nfs/dbraw/zinc/87/86/61/212878661.db2.gz	OLBITSCQSNAJOE-MRXNPFEDSA-N	0	0	327.384	4.504	50	5		EJBARN
N#CC(Cc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1	ZINC000000173424	209463383	/nfs/dbraw/zinc/46/33/83/209463383.db2.gz	IDPJYLIWCOLGKO-UHFFFAOYSA-N	0	0	328.371	4.647	50	5		EJBARN
O=C(Oc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000068120	209398633	/nfs/dbraw/zinc/39/86/33/209398633.db2.gz	FLWCPKIKGPAFOI-UHFFFAOYSA-N	0	0	327.723	4.621	50	5		EJBARN
O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000102810	201435462	/nfs/dbraw/zinc/43/54/62/201435462.db2.gz	VGOOYJLWZFNZFG-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc12	ZINC000000146173	201440937	/nfs/dbraw/zinc/44/09/37/201440937.db2.gz	MROUDHWHVMXJSI-JLHYYAGUSA-N	0	0	342.350	4.565	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1	ZINC000000314897	201459651	/nfs/dbraw/zinc/45/96/51/201459651.db2.gz	DDXJXKZBJGZAPS-XYOKQWHBSA-N	0	0	338.407	4.853	50	5		EJBARN
O=C(Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000335633	201461928	/nfs/dbraw/zinc/46/19/28/201461928.db2.gz	MGHTUJPKGWBXFZ-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
Cc1ccc(C)c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c1	ZINC000002867428	201549682	/nfs/dbraw/zinc/54/96/82/201549682.db2.gz	CYHSAURUZOAFSF-UHFFFAOYSA-N	0	0	343.382	4.815	50	5		EJBARN
Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000004367526	201598863	/nfs/dbraw/zinc/59/88/63/201598863.db2.gz	GPNDHDDOTKYMKR-UHFFFAOYSA-N	0	0	340.166	4.854	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(-c2ccccc2)cc1	ZINC000019160688	212001997	/nfs/dbraw/zinc/00/19/97/212001997.db2.gz	ZDWLJPITVQXAEO-UHFFFAOYSA-N	0	0	346.386	4.751	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cc1ccccc1	ZINC000017072245	211953493	/nfs/dbraw/zinc/95/34/93/211953493.db2.gz	JZRPEUIPMOMLNQ-UHFFFAOYSA-N	0	0	347.374	4.830	50	5		EJBARN
Cc1cc(C(C)(C)C)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000003332674	205657828	/nfs/dbraw/zinc/65/78/28/205657828.db2.gz	QDIZCYLLAJOVQB-DHZHZOJOSA-N	0	0	339.391	4.820	50	5		EJBARN
O=C1Nc2ccccc2Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c21	ZINC000012376800	211359782	/nfs/dbraw/zinc/35/97/82/211359782.db2.gz	MRJSLLWURSOTIA-UHFFFAOYSA-N	0	0	348.314	4.745	50	5		EJBARN
Cc1c2oc(=O)c3ccccc3c2cc2c1OC1(CCCCC1)CC2=O	ZINC000009135091	211044489	/nfs/dbraw/zinc/04/44/89/211044489.db2.gz	ORRVZDFQHQWJIX-UHFFFAOYSA-N	0	0	348.398	4.923	50	5		EJBARN
CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000004997359	210353668	/nfs/dbraw/zinc/35/36/68/210353668.db2.gz	FIGDSXWOLAKDDR-UHFFFAOYSA-N	0	0	332.787	4.798	50	5		EJBARN
O=C(Nc1ccccc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	ZINC000004983208	210347585	/nfs/dbraw/zinc/34/75/85/210347585.db2.gz	PHWJZSVQRCSSEB-UHFFFAOYSA-N	0	0	339.395	4.592	50	5		EJBARN
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)c(C)c(C)c(C)c1C	ZINC000004996855	210354348	/nfs/dbraw/zinc/35/43/48/210354348.db2.gz	XLKMWSZHXRUERP-UHFFFAOYSA-N	0	0	326.396	4.698	50	5		EJBARN
Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	ZINC000004746531	210268918	/nfs/dbraw/zinc/26/89/18/210268918.db2.gz	BJUSDWZLQOCCEG-UHFFFAOYSA-N	0	0	339.178	4.771	50	5		EJBARN
CC[C@@H](C)c1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000025559952	522427260	/nfs/dbraw/zinc/42/72/60/522427260.db2.gz	IVFBLAKCJWAHLB-CYBMUJFWSA-N	0	0	328.368	4.857	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1	ZINC000006863333	564099805	/nfs/dbraw/zinc/09/98/05/564099805.db2.gz	NDMZPBIWTNKUSW-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
COc1ccc(COc2ccc3c(c2)oc(=O)c2ccccc32)cc1	ZINC000000403713	563306376	/nfs/dbraw/zinc/30/63/76/563306376.db2.gz	PEOPXQPKSGPAES-UHFFFAOYSA-N	0	0	332.355	4.534	50	5		EJBARN
O=[N+]([O-])c1ccccc1OCCn1c2ccccc2c2ccccc21	ZINC000002989258	563467785	/nfs/dbraw/zinc/46/77/85/563467785.db2.gz	ZPQUSIHCFXFEOL-UHFFFAOYSA-N	0	0	332.359	4.782	50	5		EJBARN
O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1	ZINC000005603935	563542196	/nfs/dbraw/zinc/54/21/96/563542196.db2.gz	MRYZPMQLGKMIMW-ZRDIBKRKSA-N	0	0	334.331	4.507	50	5		EJBARN
CC(C)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1	ZINC000004348393	563663091	/nfs/dbraw/zinc/66/30/91/563663091.db2.gz	AOEJREYYLDTOGN-UHFFFAOYSA-N	0	0	347.421	4.642	50	5		EJBARN
O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1cccc(Cl)c1	ZINC000042837098	563925108	/nfs/dbraw/zinc/92/51/08/563925108.db2.gz	FHRYCHVZAMXGRB-UHFFFAOYSA-N	0	0	349.773	4.852	50	5		EJBARN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc2ccccc21	ZINC000004677286	563963710	/nfs/dbraw/zinc/96/37/10/563963710.db2.gz	HVTWBJZSKOUUGF-UHFFFAOYSA-N	0	0	340.766	4.962	50	5		EJBARN
O=C(Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000074891	563973720	/nfs/dbraw/zinc/97/37/20/563973720.db2.gz	VNASRRRSTNMWGR-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
Cc1ccc(C(C)C)c(OC(=O)CSc2ccccc2[N+](=O)[O-])c1	ZINC000000075960	563974479	/nfs/dbraw/zinc/97/44/79/563974479.db2.gz	KXRQHVZMSOCTPU-UHFFFAOYSA-N	0	0	345.420	4.724	50	5		EJBARN
O=[N+]([O-])c1cccc(Nc2nc(-c3ccccc3)nc3ccccc32)c1	ZINC000000076963	563974496	/nfs/dbraw/zinc/97/44/96/563974496.db2.gz	KBEUKMLEXDGSBY-UHFFFAOYSA-N	0	0	342.358	4.949	50	5		EJBARN
O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl	ZINC000033346767	563974721	/nfs/dbraw/zinc/97/47/21/563974721.db2.gz	NMCRJVIBLCARGX-FPLPWBNLSA-N	0	0	337.162	4.554	50	5		EJBARN
CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1	ZINC000044087109	563981266	/nfs/dbraw/zinc/98/12/66/563981266.db2.gz	NMJJGJOZHAUHDR-UHFFFAOYSA-N	0	0	343.383	4.699	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000103063	563982201	/nfs/dbraw/zinc/98/22/01/563982201.db2.gz	GYIYHNSMEARCOA-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
CC(C)n1c2c(c(=S)nc1-c1cccc([N+](=O)[O-])c1)CCCC2	ZINC000000202437	563988317	/nfs/dbraw/zinc/98/83/17/563988317.db2.gz	CYEZFEPOHYTATA-UHFFFAOYSA-N	0	0	329.425	4.647	50	5		EJBARN
O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1	ZINC000000203618	563988436	/nfs/dbraw/zinc/98/84/36/563988436.db2.gz	NLJFHFCUPHYANO-IBGZPJMESA-N	0	0	342.358	4.584	50	5		EJBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	ZINC000000244452	563989128	/nfs/dbraw/zinc/98/91/28/563989128.db2.gz	VMFJTZIKQHAANY-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
C[C@H]1CC(C)(C)Nc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000000316819	563990911	/nfs/dbraw/zinc/99/09/11/563990911.db2.gz	JMEBGWUQJNIWHG-LBPRGKRZSA-N	0	0	340.379	4.512	50	5		EJBARN
Cc1cccc(C)c1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000447573	563999606	/nfs/dbraw/zinc/99/96/06/563999606.db2.gz	GHRFRNFZRHROPT-UHFFFAOYSA-N	0	0	336.347	4.724	50	5		EJBARN
O=[N+]([O-])c1ccc(/C=C\C2=NN(c3ccccc3)[C@H](c3ccco3)C2)o1	ZINC000033907359	564000280	/nfs/dbraw/zinc/00/02/80/564000280.db2.gz	PEYAYDLYYOQRKF-JJEJIETFSA-N	0	0	349.346	4.802	50	5		EJBARN
Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c1	ZINC000005234669	564001385	/nfs/dbraw/zinc/00/13/85/564001385.db2.gz	XZHHLHDJWCKWGE-UHFFFAOYSA-N	0	0	340.310	4.555	50	5		EJBARN
COc1cccc(COc2cc(C)c3c(c2)oc(=O)c2ccccc23)c1	ZINC000000488436	564017337	/nfs/dbraw/zinc/01/73/37/564017337.db2.gz	HRPUSJSBYAVLLA-UHFFFAOYSA-N	0	0	346.382	4.842	50	5	biogenic	EJBARN
O=[N+]([O-])c1ccccc1-c1nnc(SCc2ccccc2Cl)o1	ZINC000000616904	564031752	/nfs/dbraw/zinc/03/17/52/564031752.db2.gz	PGYSPDAYZDXVNB-UHFFFAOYSA-N	0	0	347.783	4.591	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c(Cl)c1	ZINC000000610249	564031822	/nfs/dbraw/zinc/03/18/22/564031822.db2.gz	XFKFYVVEDZFGPV-UHFFFAOYSA-N	0	0	328.549	4.803	50	5		EJBARN
O=C(CCC1CCCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	ZINC000000997997	564053911	/nfs/dbraw/zinc/05/39/11/564053911.db2.gz	MPZZODWZIANCMW-UHFFFAOYSA-N	0	0	345.424	4.627	50	5		EJBARN
O=[N+]([O-])c1cccc(CN2CCC[C@@H]2c2nc3ccccc3s2)c1	ZINC000015452136	564063248	/nfs/dbraw/zinc/06/32/48/564063248.db2.gz	CEGQFJXZJQMEGP-MRXNPFEDSA-N	0	0	339.420	4.542	50	5		EJBARN
O=C(OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1	ZINC000001388959	564064326	/nfs/dbraw/zinc/06/43/26/564064326.db2.gz	GATJHTRAQUAJIF-UHFFFAOYSA-N	0	0	349.342	4.744	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2cccc(Cl)c2)c(Br)c1	ZINC000001406355	564065233	/nfs/dbraw/zinc/06/52/33/564065233.db2.gz	WWXQFGUTJHFRGU-UHFFFAOYSA-N	0	0	328.549	4.803	50	5		EJBARN
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)cc1	ZINC000006326926	564085013	/nfs/dbraw/zinc/08/50/13/564085013.db2.gz	QXKJGXJTIQFAON-UHFFFAOYSA-N	0	0	347.783	4.591	50	5		EJBARN
O=[N+]([O-])c1ccc(N[C@@H](c2cc3ccccc3o2)c2ccccc2)nc1	ZINC000013022606	564086902	/nfs/dbraw/zinc/08/69/02/564086902.db2.gz	KFBDATODSOTXCJ-HXUWFJFHSA-N	0	0	345.358	4.938	50	5		EJBARN
CCCCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc21	ZINC000001813655	564088707	/nfs/dbraw/zinc/08/87/07/564088707.db2.gz	GIPUVDVXENRQAP-UHFFFAOYSA-N	0	0	334.379	4.664	50	5		EJBARN
Cc1c(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-]	ZINC000089540482	564092746	/nfs/dbraw/zinc/09/27/46/564092746.db2.gz	HFVOYRBHRXSRME-GOSISDBHSA-N	0	0	330.815	4.798	50	5		EJBARN
O=C(Nc1ccc2c(c1)oc1c(Cl)cccc1c2=O)c1ccccc1	ZINC000006660945	564095569	/nfs/dbraw/zinc/09/55/69/564095569.db2.gz	BMTVBIYYMJZYSE-UHFFFAOYSA-N	0	0	349.773	4.852	50	5		EJBARN
Cc1[nH]c2ccc(CNc3ccc4ncccc4c3[N+](=O)[O-])cc2c1C	ZINC000064942403	564098176	/nfs/dbraw/zinc/09/81/76/564098176.db2.gz	LBJWLRPHKMGSRN-UHFFFAOYSA-N	0	0	346.390	4.853	50	5		EJBARN
C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1csc(C2CC2)n1	ZINC000170626284	564110497	/nfs/dbraw/zinc/11/04/97/564110497.db2.gz	YBKLORNQOBCDBG-SNVBAGLBSA-N	0	0	340.408	4.650	50	5		EJBARN
CCOc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000089991107	564116092	/nfs/dbraw/zinc/11/60/92/564116092.db2.gz	BAKLKIFORUTKPX-QGZVFWFLSA-N	0	0	346.814	4.988	50	5		EJBARN
CCCCn1c(CCC)nc([N+](=O)[O-])c1Sc1ccc(F)cc1	ZINC000002191281	564120715	/nfs/dbraw/zinc/12/07/15/564120715.db2.gz	QMVXTZGRNZRYQH-UHFFFAOYSA-N	0	0	337.420	4.834	50	5		EJBARN
O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1Cl	ZINC000007781282	564123235	/nfs/dbraw/zinc/12/32/35/564123235.db2.gz	MDBVKEGLTZJAJG-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000027467778	564125330	/nfs/dbraw/zinc/12/53/30/564125330.db2.gz	QJJWEQVYFXSALB-FFSVYQOJSA-N	0	0	339.819	4.866	50	5	biogenic	EJBARN
O=[N+]([O-])c1cc(CN2CCCC[C@H]2c2nc3ccccc3o2)cs1	ZINC000079110790	564137943	/nfs/dbraw/zinc/13/79/43/564137943.db2.gz	JXIHIASIDMRKEC-AWEZNQCLSA-N	0	0	343.408	4.525	50	5		EJBARN
COc1ccccc1C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002902225	564152993	/nfs/dbraw/zinc/15/29/93/564152993.db2.gz	ZHSUITFENQYBPG-UHFFFAOYSA-N	0	0	348.358	4.523	50	5		EJBARN
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Nc2ccccc2)cc1	ZINC000002983222	564154019	/nfs/dbraw/zinc/15/40/19/564154019.db2.gz	QVCHUOXTWNURMO-UHFFFAOYSA-N	0	0	347.374	4.520	50	5		EJBARN
CC[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1	ZINC000003137112	564155352	/nfs/dbraw/zinc/15/53/52/564155352.db2.gz	LXSWIXTZZJRXIN-SJCJKPOMSA-N	0	0	342.351	4.516	50	5		EJBARN
CCCCCCOc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000003164618	564155592	/nfs/dbraw/zinc/15/55/92/564155592.db2.gz	KPUCLDLYAAUNPF-UHFFFAOYSA-N	0	0	343.379	4.773	50	5		EJBARN
Cc1nc(C)c(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)s1	ZINC000004123318	564160814	/nfs/dbraw/zinc/16/08/14/564160814.db2.gz	HFFHWQYSNMAYJM-UHFFFAOYSA-N	0	0	332.410	4.535	50	5		EJBARN
CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1(C)C	ZINC000008306559	564164124	/nfs/dbraw/zinc/16/41/24/564164124.db2.gz	GEIMOGDGLAYABJ-YJBOKZPZSA-N	0	0	338.407	4.925	50	5		EJBARN
O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2CC/C=C/CC/C=C\CC[C@@H]21	ZINC000245238543	564168786	/nfs/dbraw/zinc/16/87/86/564168786.db2.gz	TVPSUVVLKOFAJS-HZPIBMMSSA-N	0	0	340.423	4.862	50	5		EJBARN
O=[N+]([O-])c1cccc(Cl)c1CSc1nnc(-c2ccccc2)o1	ZINC000004843226	568416440	/nfs/dbraw/zinc/41/64/40/568416440.db2.gz	SBUVRRHZDFNHEL-UHFFFAOYSA-N	0	0	347.783	4.591	50	5		EJBARN
CC(C)(C)c1ccc(SCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004740843	210265692	/nfs/dbraw/zinc/26/56/92/210265692.db2.gz	OVNITOKDBLJWIP-UHFFFAOYSA-N	0	0	329.421	4.867	50	5		EJBARN
C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004702267	210252982	/nfs/dbraw/zinc/25/29/82/210252982.db2.gz	QWFBYWVZTWTDGR-HDPALTEOSA-N	0	0	345.399	4.520	50	5		EJBARN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(C(C)C)cc1	ZINC000004657352	210239966	/nfs/dbraw/zinc/23/99/66/210239966.db2.gz	OIIAKPLQACESNL-UHFFFAOYSA-N	0	0	332.787	4.932	50	5		EJBARN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1Cl	ZINC000004575874	210225203	/nfs/dbraw/zinc/22/52/03/210225203.db2.gz	MRPPFCNQCZDQKY-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)C=Nc1ccc3ccccc3c1O2	ZINC000004577156	210224869	/nfs/dbraw/zinc/22/48/69/210224869.db2.gz	QJSDIRQNSXWXFH-UHFFFAOYSA-N	0	0	335.275	4.513	50	5		EJBARN
CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000004154816	210134126	/nfs/dbraw/zinc/13/41/26/210134126.db2.gz	IUSCCXWHYFHYPO-AWEZNQCLSA-N	0	0	326.396	4.536	50	5		EJBARN
O=[N+]([O-])c1ccc2oc(C=C3CCCCC3)c(N3CCOCC3)c2c1	ZINC000004147148	210132775	/nfs/dbraw/zinc/13/27/75/210132775.db2.gz	BSVFZBCADXXWBS-UHFFFAOYSA-N	0	0	342.395	4.525	50	5		EJBARN
Clc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	ZINC000004128139	210127083	/nfs/dbraw/zinc/12/70/83/210127083.db2.gz	LUFQGHAEYUUFGR-UHFFFAOYSA-N	0	0	330.778	4.980	50	5		EJBARN
Cc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cn2)c2cccs2)cc1	ZINC000012886163	201874128	/nfs/dbraw/zinc/87/41/28/201874128.db2.gz	YXSLVDLOSQOOMB-QGZVFWFLSA-N	0	0	325.393	4.561	50	5		EJBARN
C[C@H]1Cc2ccccc2N1Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000003390324	210025572	/nfs/dbraw/zinc/02/55/72/210025572.db2.gz	IGPDPYZBYVXJGX-HNNXBMFYSA-N	0	0	341.410	4.897	50	5		EJBARN
COc1ccc([N+](=O)[O-])cc1NC(c1ccccc1)c1ccccc1	ZINC000003371195	210020345	/nfs/dbraw/zinc/02/03/45/210020345.db2.gz	JAEOKCYXDIYXDN-UHFFFAOYSA-N	0	0	334.375	4.805	50	5		EJBARN
O=C(Nc1nc2ccc(Cl)cc2s1)Nc1cccc([N+](=O)[O-])c1	ZINC000003241831	209986273	/nfs/dbraw/zinc/98/62/73/209986273.db2.gz	BONOOMCFAXRKGL-UHFFFAOYSA-N	0	0	348.771	4.502	50	5		EJBARN
O=[N+]([O-])c1ccc(OCc2coc(-c3cccc(F)c3)n2)c(Cl)c1	ZINC000026015137	202137165	/nfs/dbraw/zinc/13/71/65/202137165.db2.gz	BJFPXXPRCOLPPT-UHFFFAOYSA-N	0	0	348.717	4.621	50	5		EJBARN
O=[N+]([O-])c1cc(Cl)ccc1OCc1coc(-c2cccc(F)c2)n1	ZINC000026041142	202137809	/nfs/dbraw/zinc/13/78/09/202137809.db2.gz	IGHQJIFLWROCHJ-UHFFFAOYSA-N	0	0	348.717	4.621	50	5		EJBARN
COc1ccc2c3cc4c5c(oc4c(C)c3oc(=O)c2c1)CCCC5	ZINC000000488790	209633030	/nfs/dbraw/zinc/63/30/30/209633030.db2.gz	MBWKBVWXWFPSMK-UHFFFAOYSA-N	0	0	334.371	4.888	50	5	biogenic	EJBARN
O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000271572	209513188	/nfs/dbraw/zinc/51/31/88/209513188.db2.gz	NZIVOERCGNHADM-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1	ZINC000000085366	209409625	/nfs/dbraw/zinc/40/96/25/209409625.db2.gz	VHCYHVUSJKRVDZ-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2)cc1	ZINC000000066062	209396961	/nfs/dbraw/zinc/39/69/61/209396961.db2.gz	ZKBAFLGTSWOJCP-UHFFFAOYSA-N	0	0	348.358	4.523	50	5		EJBARN
O=[N+]([O-])c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	ZINC000000055194	209393171	/nfs/dbraw/zinc/39/31/71/209393171.db2.gz	QSJFEWWENJXUCR-UHFFFAOYSA-N	0	0	327.343	4.872	50	5		EJBARN
CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1	ZINC000023200100	212359464	/nfs/dbraw/zinc/35/94/64/212359464.db2.gz	JWJFSITXIGOHOL-UHFFFAOYSA-N	0	0	347.374	4.615	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2ccccc2Br)c(Cl)c1	ZINC000021798693	212251287	/nfs/dbraw/zinc/25/12/87/212251287.db2.gz	SPIOIIBATZQKAQ-UHFFFAOYSA-N	0	0	328.549	4.803	50	5		EJBARN
O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)oc1ccccc1c2=O	ZINC000006660714	201690149	/nfs/dbraw/zinc/69/01/49/201690149.db2.gz	LSIPGXVTZNQYTD-JLHYYAGUSA-N	0	0	341.366	4.598	50	5		EJBARN
CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000020537116	212144422	/nfs/dbraw/zinc/14/44/22/212144422.db2.gz	BIWORVAOGCYXQS-OAHLLOKOSA-N	0	0	333.775	4.521	50	5		EJBARN
CCOc1ccccc1[C@H](CC(C)C)Nc1ncccc1[N+](=O)[O-]	ZINC000072307336	203198340	/nfs/dbraw/zinc/19/83/40/203198340.db2.gz	QVLHAMOCQARPNG-HNNXBMFYSA-N	0	0	329.400	4.588	50	5		EJBARN
O=C(Nc1cccc2cccnc21)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000010912755	211195107	/nfs/dbraw/zinc/19/51/07/211195107.db2.gz	GGZOMTMTGIEVLS-UHFFFAOYSA-N	0	0	349.371	4.610	50	5		EJBARN
CCCCCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000008102155	210894055	/nfs/dbraw/zinc/89/40/55/210894055.db2.gz	AXNRWDDRBAQWFJ-UHFFFAOYSA-N	0	0	346.358	4.555	50	5		EJBARN
Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000005041503	210371926	/nfs/dbraw/zinc/37/19/26/210371926.db2.gz	BCFWVVQJGZKVRH-UHFFFAOYSA-N	0	0	339.273	4.566	50	5		EJBARN
CCCCC1CCC(C(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1	ZINC000005028188	210367491	/nfs/dbraw/zinc/36/74/91/210367491.db2.gz	IVAPAHBGXDSGQD-UHFFFAOYSA-N	0	0	348.443	4.929	50	5		EJBARN
O=[N+]([O-])c1ccc(CSc2nc3cc4ccccc4cc3[nH]2)cc1	ZINC000005050091	210374182	/nfs/dbraw/zinc/37/41/82/210374182.db2.gz	MMWLGQHHVLPOKK-UHFFFAOYSA-N	0	0	335.388	4.917	50	5		EJBARN
COc1cc2nc3c4ccccc4n(CCC(C)C)c3nc2cc1OC	ZINC000005014084	210362018	/nfs/dbraw/zinc/36/20/18/210362018.db2.gz	UKUYQOWCJVWWRL-UHFFFAOYSA-N	0	0	349.434	4.801	50	5		EJBARN
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000005005070	210358984	/nfs/dbraw/zinc/35/89/84/210358984.db2.gz	ZPSWGBORXUBKAH-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
Cc1ccc(NC(=O)c2c(C)c(C)c(C)c(C)c2C)c([N+](=O)[O-])c1	ZINC000004996612	210354320	/nfs/dbraw/zinc/35/43/20/210354320.db2.gz	CHSQQBXJVQTFQT-UHFFFAOYSA-N	0	0	326.396	4.698	50	5		EJBARN
O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-]	ZINC000004901846	210317322	/nfs/dbraw/zinc/31/73/22/210317322.db2.gz	JGOZMLGFWOSRIS-SOFGYWHQSA-N	0	0	337.162	4.554	50	5		EJBARN
Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c1C	ZINC000004866657	210306587	/nfs/dbraw/zinc/30/65/87/210306587.db2.gz	BBDJAMRMVAFKLP-UHFFFAOYSA-N	0	0	343.382	4.815	50	5		EJBARN
COc1cc2c(c([N+](=O)[O-])c1)NC(C)(C)c1ssc(=S)c1-2	ZINC000004817296	210286424	/nfs/dbraw/zinc/28/64/24/210286424.db2.gz	ARAXLFHRAQYQRQ-UHFFFAOYSA-N	0	0	340.451	4.783	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000004794686	210280578	/nfs/dbraw/zinc/28/05/78/210280578.db2.gz	DCUUDDXKUDUHQH-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
CCc1cccc(C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000004794820	210279883	/nfs/dbraw/zinc/27/98/83/210279883.db2.gz	PSSVHNAMSAWMAD-UHFFFAOYSA-N	0	0	333.775	4.763	50	5		EJBARN
CSc1ccc(NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000004771231	210273824	/nfs/dbraw/zinc/27/38/24/210273824.db2.gz	YOVXEPLEGNQXPN-UHFFFAOYSA-N	0	0	337.788	4.614	50	5		EJBARN
C[C@H]1CCCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21	ZINC000001304354	135654336	/nfs/dbraw/zinc/65/43/36/135654336.db2.gz	ACSQLEAXOHQMGI-AWEZNQCLSA-N	0	0	348.406	4.584	50	5		EJBARN
C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)c1ccccc1	ZINC000000389334	563303835	/nfs/dbraw/zinc/30/38/35/563303835.db2.gz	JHUSXEHEXJRWJI-CQSZACIVSA-N	0	0	344.366	4.596	50	5	biogenic	EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1(c2ccccc2)CCCC1	ZINC000006474777	563568834	/nfs/dbraw/zinc/56/88/34/563568834.db2.gz	JQXMQONFEBNCHS-UHFFFAOYSA-N	0	0	344.798	4.699	50	5		EJBARN
CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000004382602	563676370	/nfs/dbraw/zinc/67/63/70/563676370.db2.gz	RFDVQBIGBADNRS-UHFFFAOYSA-N	0	0	332.787	4.798	50	5		EJBARN
Cc1nc2sc(-c3ccc([N+](=O)[O-])cc3)c(N)c2c(C)c1Cl	ZINC000000032749	563967767	/nfs/dbraw/zinc/96/77/67/563967767.db2.gz	OOHKKNNIGXEFLH-UHFFFAOYSA-N	0	0	333.800	4.724	50	5		EJBARN
O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(-c2cc[nH]n2)c1	ZINC000000125381	563986744	/nfs/dbraw/zinc/98/67/44/563986744.db2.gz	LIBXZDSGZNWMMP-UHFFFAOYSA-N	0	0	331.784	4.790	50	5		EJBARN
O=[N+]([O-])c1cc(C2SCCS2)ccc1SCc1ccco1	ZINC000000129170	563986786	/nfs/dbraw/zinc/98/67/86/563986786.db2.gz	GITFXVPZKHXETI-UHFFFAOYSA-N	0	0	339.463	4.959	50	5		EJBARN
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000241530	563989173	/nfs/dbraw/zinc/98/91/73/563989173.db2.gz	GHJDXSGZMCDRHG-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)ccc1Cl	ZINC000000259756	563989618	/nfs/dbraw/zinc/98/96/18/563989618.db2.gz	YUPLBIVSTMVWBB-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
Cc1nn(-c2cccc(Cl)c2)c(C)c1-c1cccc([N+](=O)[O-])c1	ZINC000000278949	563990147	/nfs/dbraw/zinc/99/01/47/563990147.db2.gz	CZQVGOUPLOGMGU-UHFFFAOYSA-N	0	0	327.771	4.718	50	5		EJBARN
Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1C	ZINC000000305322	563990732	/nfs/dbraw/zinc/99/07/32/563990732.db2.gz	HWZDZZRXPVJOKY-VMPITWQZSA-N	0	0	330.771	4.517	50	5		EJBARN
Cc1ccc(-n2nc3oc4ccc5ccccc5c4cc-3c2=O)cc1C	ZINC000005031451	563993879	/nfs/dbraw/zinc/99/38/79/563993879.db2.gz	ZINATIHOYZNGNZ-UHFFFAOYSA-N	0	0	340.382	4.854	50	5		EJBARN
CCn1c(C)c2c3cc(-c4ccc([N+](=O)[O-])cc4)cn3nc(C)c2c1C	ZINC000033783202	563994336	/nfs/dbraw/zinc/99/43/36/563994336.db2.gz	IYSOJDWYDFHJTB-UHFFFAOYSA-N	0	0	348.406	4.809	50	5		EJBARN
Cc1ccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000000433592	563999305	/nfs/dbraw/zinc/99/93/05/563999305.db2.gz	HNDJGTVCSNXNMF-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
O=C(/C=C/c1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000000441580	563999516	/nfs/dbraw/zinc/99/95/16/563999516.db2.gz	XFOAWNBNGRWNAV-QPJJXVBHSA-N	0	0	337.162	4.554	50	5		EJBARN
O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000000467032	564000790	/nfs/dbraw/zinc/00/07/90/564000790.db2.gz	SIBPTDSGNUIVDH-UHFFFAOYSA-N	0	0	333.343	4.541	50	5		EJBARN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1	ZINC000000461075	564000805	/nfs/dbraw/zinc/00/08/05/564000805.db2.gz	JJYBEVZTYWOCFK-UHFFFAOYSA-N	0	0	347.374	4.520	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2cccc3cccnc32)cc1C(F)(F)F	ZINC000002626784	564003899	/nfs/dbraw/zinc/00/38/99/564003899.db2.gz	JRRGIITYKXNRFO-UHFFFAOYSA-N	0	0	334.253	4.954	50	5		EJBARN
Cc1sc2nc(C)nc(SCc3ccc([N+](=O)[O-])cc3)c2c1C	ZINC000005429120	564003905	/nfs/dbraw/zinc/00/39/05/564003905.db2.gz	BKUWVGCKGFXMFR-UHFFFAOYSA-N	0	0	345.449	4.817	50	5		EJBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2ccccc2)cc1	ZINC000005512557	564004863	/nfs/dbraw/zinc/00/48/63/564004863.db2.gz	WYXUOCCPVMRVFA-UHFFFAOYSA-N	0	0	348.358	4.523	50	5		EJBARN
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1	ZINC000000473515	564006159	/nfs/dbraw/zinc/00/61/59/564006159.db2.gz	GRBYSKQBDGKZMA-UHFFFAOYSA-N	0	0	348.358	4.568	50	5		EJBARN
CCCCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000005421561	564014048	/nfs/dbraw/zinc/01/40/48/564014048.db2.gz	FUVLSQBTRHGEDT-UHFFFAOYSA-N	0	0	332.787	4.843	50	5		EJBARN
CN1c2ccccc2[C@]2(C)CCCC3=Cc4cc([N+](=O)[O-])ccc4O[C@@]312	ZINC000000535207	564022087	/nfs/dbraw/zinc/02/20/87/564022087.db2.gz	LMVAMOSFKOFKNX-LEWJYISDSA-N	0	0	348.402	4.659	50	5		EJBARN
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2ccccc2)cc1	ZINC000000566761	564023214	/nfs/dbraw/zinc/02/32/14/564023214.db2.gz	JAOVDYUVYMUPRH-UHFFFAOYSA-N	0	0	336.322	4.653	50	5		EJBARN
Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000000577227	564023565	/nfs/dbraw/zinc/02/35/65/564023565.db2.gz	QQEJSMVGHYLAIY-UHFFFAOYSA-N	0	0	346.386	4.750	50	5		EJBARN
O=[N+]([O-])c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1	ZINC000048038883	564029854	/nfs/dbraw/zinc/02/98/54/564029854.db2.gz	SVBKAAMYJVDUTR-HXUWFJFHSA-N	0	0	336.366	4.613	50	5		EJBARN
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000000834090	564035786	/nfs/dbraw/zinc/03/57/86/564035786.db2.gz	IPABVJNCYQICCJ-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
COc1cccc(COc2ccc3c4ccccc4c(=O)oc3c2C)c1	ZINC000000457792	564036871	/nfs/dbraw/zinc/03/68/71/564036871.db2.gz	FVQGKKXPDQACEJ-UHFFFAOYSA-N	0	0	346.382	4.842	50	5		EJBARN
Cc1sc2ncnc(SCc3cccc([N+](=O)[O-])c3)c2c1C	ZINC000003562724	564059955	/nfs/dbraw/zinc/05/99/55/564059955.db2.gz	FNLCXKTYUBHZNN-UHFFFAOYSA-N	0	0	331.422	4.509	50	5		EJBARN
O=c1[nH]c2nc(-c3ccncc3)cc(C(F)(F)F)c2c2ccccc12	ZINC000084593437	564068861	/nfs/dbraw/zinc/06/88/61/564068861.db2.gz	NBTWGRMTGVYXCH-UHFFFAOYSA-N	0	0	341.292	4.569	50	5		EJBARN
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000001508462	564074861	/nfs/dbraw/zinc/07/48/61/564074861.db2.gz	CZYVCGVPYRVQGM-FFSVYQOJSA-N	0	0	339.819	4.866	50	5	biogenic	EJBARN
Cc1ccc([N+](=O)[O-])c(Oc2nc(C)nc3c4ccccc4oc32)c1	ZINC000015866537	564077191	/nfs/dbraw/zinc/07/71/91/564077191.db2.gz	MRQJSRWCGJBGHT-UHFFFAOYSA-N	0	0	335.319	4.693	50	5		EJBARN
COc1cc([N+](=O)[O-])ccc1NC(c1ccccc1)c1ccccc1	ZINC000006320047	564084607	/nfs/dbraw/zinc/08/46/07/564084607.db2.gz	OXHRCSSHNJQZHG-UHFFFAOYSA-N	0	0	334.375	4.805	50	5		EJBARN
C[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)c1ccccc1	ZINC000002056480	564093475	/nfs/dbraw/zinc/09/34/75/564093475.db2.gz	XIIABVOOWCPZQR-GJZGRUSLSA-N	0	0	327.380	4.582	50	5		EJBARN
CCOC(=O)c1cc2cccc3c(C(=O)OCC)cc4cccc1c4c23	ZINC000006995795	564102740	/nfs/dbraw/zinc/10/27/40/564102740.db2.gz	CPUQNMXZBVCWLU-UHFFFAOYSA-N	0	0	346.382	4.937	50	5		EJBARN
O=C1c2ccccc2C(=Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000002162201	564120135	/nfs/dbraw/zinc/12/01/35/564120135.db2.gz	BPZYCLNHYSVYML-UHFFFAOYSA-N	0	0	327.339	4.728	50	5		EJBARN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)C=Cc1c(ccc3ccccc31)O2	ZINC000002186328	564120676	/nfs/dbraw/zinc/12/06/76/564120676.db2.gz	XIHJOBWXVAGSCV-UHFFFAOYSA-N	0	0	334.287	4.932	50	5	biogenic	EJBARN
CC(C)n1ncc2c1nc1c3ccc(O)cc3oc1c2-c1ccco1	ZINC000096115283	564145440	/nfs/dbraw/zinc/14/54/40/564145440.db2.gz	QWERGWWWVAJLNY-UHFFFAOYSA-N	0	0	333.347	4.877	50	5	biogenic	EJBARN
O=C(Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000002493618	564149933	/nfs/dbraw/zinc/14/99/33/564149933.db2.gz	UEKKHFYAUDJLQS-UHFFFAOYSA-N	0	0	326.739	4.654	50	5		EJBARN
CCCCn1c2c(c(=S)nc1-c1cccc([N+](=O)[O-])c1)CCCC2	ZINC000002697264	564152130	/nfs/dbraw/zinc/15/21/30/564152130.db2.gz	OGMLRUORVIGFBV-UHFFFAOYSA-N	0	0	343.452	4.867	50	5		EJBARN
Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-]	ZINC000002761486	564152506	/nfs/dbraw/zinc/15/25/06/564152506.db2.gz	FQNBDPMTIZZDLI-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
CCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000002897593	564152965	/nfs/dbraw/zinc/15/29/65/564152965.db2.gz	FSZSSMKMMKHKIR-UHFFFAOYSA-N	0	0	348.786	4.679	50	5		EJBARN
O=[N+]([O-])c1ccc2nc(Sc3nc4ccccc4s3)sc2c1	ZINC000002909621	564152969	/nfs/dbraw/zinc/15/29/69/564152969.db2.gz	JSHAAIAVKYJQTQ-UHFFFAOYSA-N	0	0	345.430	4.965	50	5		EJBARN
O=[N+]([O-])c1cc(-c2csc(Nc3ccccn3)n2)ccc1Cl	ZINC000029457137	564153424	/nfs/dbraw/zinc/15/34/24/564153424.db2.gz	WQOIWOOLYUVBDK-UHFFFAOYSA-N	0	0	332.772	4.510	50	5		EJBARN
C/C=C/C=C/C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000003140815	564155448	/nfs/dbraw/zinc/15/54/48/564155448.db2.gz	BQVIVXFQXUYLJY-MQQKCMAXSA-N	0	0	340.404	4.817	50	5		EJBARN
CC[C@H](C)c1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1	ZINC000003291957	564157099	/nfs/dbraw/zinc/15/70/99/564157099.db2.gz	NKUCHQUKGJLFPD-ZDUSSCGKSA-N	0	0	337.375	4.576	50	5		EJBARN
Cc1c(C(=O)OCc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-]	ZINC000003444486	564158160	/nfs/dbraw/zinc/15/81/60/564158160.db2.gz	OBVBJMPKDKWUFN-UHFFFAOYSA-N	0	0	340.162	4.567	50	5		EJBARN
O=[N+]([O-])c1cc(CSc2ncc(-c3ccc(F)cc3)o2)cs1	ZINC000058357844	564158833	/nfs/dbraw/zinc/15/88/33/564158833.db2.gz	HBQPOIWMQXGDJK-UHFFFAOYSA-N	0	0	336.369	4.743	50	5		EJBARN
Cc1ccc(-c2nc(COc3ccc(C)cc3[N+](=O)[O-])cs2)o1	ZINC000032328400	564161195	/nfs/dbraw/zinc/16/11/95/564161195.db2.gz	UFVNCYUXNPIGMN-UHFFFAOYSA-N	0	0	330.365	4.507	50	5		EJBARN
Cc1cccc(C)c1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000069600029	564170862	/nfs/dbraw/zinc/17/08/62/564170862.db2.gz	HMTJFWIQVXAHNH-UHFFFAOYSA-N	0	0	341.411	4.654	50	5		EJBARN
Cc1cc(OCc2csc(-c3ccc(F)cc3)n2)ccc1[N+](=O)[O-]	ZINC000024716132	568418192	/nfs/dbraw/zinc/41/81/92/568418192.db2.gz	XSNQJXUADPWIHU-UHFFFAOYSA-N	0	0	344.367	4.745	50	5		EJBARN
CC(=O)c1c(C)[nH]c(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C	ZINC000055050730	214268046	/nfs/dbraw/zinc/26/80/46/214268046.db2.gz	IPGYHYYYBRIMJV-UHFFFAOYSA-N	0	0	341.392	4.533	50	5		EJBARN
Cc1sc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(F)cc1F	ZINC000058356528	214559690	/nfs/dbraw/zinc/55/96/90/214559690.db2.gz	WEWQRLNIIVIABV-UHFFFAOYSA-N	0	0	332.331	4.972	50	5		EJBARN
COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1	ZINC000004612954	210232624	/nfs/dbraw/zinc/23/26/24/210232624.db2.gz	KKVWJUFNMWKKGB-UHFFFAOYSA-N	0	0	348.358	4.523	50	5		EJBARN
CCCCc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000004615041	210232526	/nfs/dbraw/zinc/23/25/26/210232526.db2.gz	UCOJHSFEMNWERJ-UHFFFAOYSA-N	0	0	332.787	4.843	50	5		EJBARN
C[C@@H](Oc1cccnc1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl	ZINC000066352143	215035691	/nfs/dbraw/zinc/03/56/91/215035691.db2.gz	VGDOUCIQKWTGJY-SSDOTTSWSA-N	0	0	331.130	4.576	50	5		EJBARN
O=[N+]([O-])c1ccc2nc(SCc3c[nH]c4ccccc34)sc2c1	ZINC000002909310	209940402	/nfs/dbraw/zinc/94/04/02/209940402.db2.gz	SXIPWXIMVNGXAG-UHFFFAOYSA-N	0	0	341.417	4.978	50	5		EJBARN
CCCCc1ccc(OC(=O)CSc2ccccc2[N+](=O)[O-])cc1	ZINC000001796623	209795663	/nfs/dbraw/zinc/79/56/63/209795663.db2.gz	NMUWARBPASXTFO-UHFFFAOYSA-N	0	0	345.420	4.635	50	5		EJBARN
Cc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)o2)cc1	ZINC000040127491	213270027	/nfs/dbraw/zinc/27/00/27/213270027.db2.gz	QNMPOAKUKPKGLH-UHFFFAOYSA-N	0	0	341.392	4.554	50	5		EJBARN
Cc1cc(C)cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000001060172	209705331	/nfs/dbraw/zinc/70/53/31/209705331.db2.gz	GXUAYMMBULCNLC-UHFFFAOYSA-N	0	0	336.347	4.724	50	5		EJBARN
CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000000466858	209617855	/nfs/dbraw/zinc/61/78/55/209617855.db2.gz	KKQFMMOAQIBADH-UHFFFAOYSA-N	0	0	346.814	4.689	50	5		EJBARN
O=[N+]([O-])c1cccc(Br)c1OCc1ccc(Cl)cc1	ZINC000036719650	202328973	/nfs/dbraw/zinc/32/89/73/202328973.db2.gz	FBANNWPFCSQSCD-UHFFFAOYSA-N	0	0	342.576	4.590	50	5		EJBARN
CCOc1ccccc1[C@@H](CC(C)C)Nc1ncccc1[N+](=O)[O-]	ZINC000072307335	216144386	/nfs/dbraw/zinc/14/43/86/216144386.db2.gz	QVLHAMOCQARPNG-OAHLLOKOSA-N	0	0	329.400	4.588	50	5		EJBARN
Cc1ccc([C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	ZINC000000122045	209434942	/nfs/dbraw/zinc/43/49/42/209434942.db2.gz	MHNFXDUHITWHAT-HXUWFJFHSA-N	0	0	347.370	4.850	50	5		EJBARN
O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1	ZINC000000060801	209394858	/nfs/dbraw/zinc/39/48/58/209394858.db2.gz	PMZUQRFYRUKRIA-UHFFFAOYSA-N	0	0	346.386	4.756	50	5		EJBARN
O=C(CCNc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	ZINC000226762482	242114850	/nfs/dbraw/zinc/11/48/50/242114850.db2.gz	SJIXWUXFVNDEFK-UHFFFAOYSA-N	0	0	339.178	4.587	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2ncc(-c3ccc(Br)cc3)o2)cc1	ZINC000001588812	201512623	/nfs/dbraw/zinc/51/26/23/201512623.db2.gz	HQFYSZAPVRHQNX-UHFFFAOYSA-N	0	0	345.152	4.679	50	5		EJBARN
O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000004841098	201622497	/nfs/dbraw/zinc/62/24/97/201622497.db2.gz	IHUYWFJSPZDYAW-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
C[C@@H]1CC(C)(C)C[C@H](Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])[C@@H]1C	ZINC000020569301	212147584	/nfs/dbraw/zinc/14/75/84/212147584.db2.gz	WZCPBHQNGPQOEP-BZPMIXESSA-N	0	0	344.411	4.574	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1	ZINC000019009031	211997105	/nfs/dbraw/zinc/99/71/05/211997105.db2.gz	SBFBNQIGFCURGD-UHFFFAOYSA-N	0	0	334.331	4.639	50	5		EJBARN
O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccco3)C2)o1	ZINC000000190438	205419797	/nfs/dbraw/zinc/41/97/97/205419797.db2.gz	PEYAYDLYYOQRKF-IJDCCNJMSA-N	0	0	349.346	4.802	50	5		EJBARN
O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(OC(F)F)cc3)nc21	ZINC000005155769	205753553	/nfs/dbraw/zinc/75/35/53/205753553.db2.gz	BDXOVHJWLRTAGW-XBXARRHUSA-N	0	0	342.301	4.915	50	5		EJBARN
O=C(Nc1cccc(Cl)c1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000012062406	211284344	/nfs/dbraw/zinc/28/43/44/211284344.db2.gz	GAPOMRZAIJIKIH-UHFFFAOYSA-N	0	0	349.773	4.852	50	5		EJBARN
O=c1cc(CSc2nccn2C2CC2)c2c(ccc3ccccc32)o1	ZINC000011892808	211264708	/nfs/dbraw/zinc/26/47/08/211264708.db2.gz	UJDWHQDMGRRWIW-UHFFFAOYSA-N	0	0	348.427	4.770	50	5		EJBARN
O=C(Nc1cccc(Cl)c1)c1cccc2nc3ccccc3nc21	ZINC000009910306	211133637	/nfs/dbraw/zinc/13/36/37/211133637.db2.gz	QBJNDERHTPMOEU-UHFFFAOYSA-N	0	0	333.778	4.689	50	5		EJBARN
Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cccnc1	ZINC000009420064	211081511	/nfs/dbraw/zinc/08/15/11/211081511.db2.gz	UIAFTQQGXLNMPB-UHFFFAOYSA-N	0	0	344.805	4.834	50	5		EJBARN
O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccccc2)no1	ZINC000006816631	210720751	/nfs/dbraw/zinc/72/07/51/210720751.db2.gz	AMYAPPRAHZMLHR-UHFFFAOYSA-N	0	0	340.338	4.663	50	5		EJBARN
Cc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc(C)c1O	ZINC000005130259	210395980	/nfs/dbraw/zinc/39/59/80/210395980.db2.gz	GMZBCFPKBYPBQT-ZZXKWVIFSA-N	0	0	326.377	4.697	50	5		EJBARN
COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005041482	210371453	/nfs/dbraw/zinc/37/14/53/210371453.db2.gz	BUHMSXLGYYPCJH-UHFFFAOYSA-N	0	0	343.383	4.545	50	5		EJBARN
CC(=O)Oc1ccc(C)c2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc12	ZINC000005019907	210363146	/nfs/dbraw/zinc/36/31/46/210363146.db2.gz	HTEYJUXHIJCSCW-CMDGGOBGSA-N	0	0	348.358	4.547	50	5		EJBARN
CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CC)c1ccccc1	ZINC000004795075	210279952	/nfs/dbraw/zinc/27/99/52/210279952.db2.gz	IJYZEAYSSXMGPU-ROUUACIJSA-N	0	0	327.380	4.724	50	5		EJBARN
O=C(Nc1ccc(F)cc1[N+](=O)[O-])Oc1cc(Cl)ccc1Cl	ZINC000004759374	210271774	/nfs/dbraw/zinc/27/17/74/210271774.db2.gz	LKGGWLJVPACPDO-UHFFFAOYSA-N	0	0	345.113	4.652	50	5		EJBARN
O=[N+]([O-])c1cccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)c1	ZINC000004758432	210271738	/nfs/dbraw/zinc/27/17/38/210271738.db2.gz	DJTKIILFRBLODT-NRFANRHFSA-N	0	0	343.386	4.951	50	5		EJBARN
O=C(Oc1cccc([N+](=O)[O-])c1)N(c1ccccc1)c1ccccc1	ZINC000000464849	258048550	/nfs/dbraw/zinc/04/85/50/258048550.db2.gz	VCHDOTRSRDQOLY-UHFFFAOYSA-N	0	0	334.331	4.932	50	5		EJBARN
C[C@H](Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-])c1ccccc1	ZINC000004187852	135662978	/nfs/dbraw/zinc/66/29/78/135662978.db2.gz	RKNWSDFREPEKGV-HNNXBMFYSA-N	0	0	325.412	4.758	50	5		EJBARN
N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cccc(Cl)c1	ZINC000017072473	563836120	/nfs/dbraw/zinc/83/61/20/563836120.db2.gz	ADWWIHVMQUUTOX-UHFFFAOYSA-N	0	0	348.789	4.971	50	5		EJBARN
O=[N+]([O-])C[C@@H](c1ccco1)c1c2ccccc2[nH]c1-c1ccccc1	ZINC000000086080	563974628	/nfs/dbraw/zinc/97/46/28/563974628.db2.gz	RYOZXDJCTOEOFN-INIZCTEOSA-N	0	0	332.359	4.837	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2csc(=S)n2Nc2ccccc2)c1	ZINC000000093227	563976465	/nfs/dbraw/zinc/97/64/65/563976465.db2.gz	YYKLVMLBQXZFPJ-UHFFFAOYSA-N	0	0	329.406	4.729	50	5		EJBARN
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000102805	563982143	/nfs/dbraw/zinc/98/21/43/563982143.db2.gz	FYQHDHBGADAFGF-UHFFFAOYSA-N	0	0	345.569	4.807	50	5	in-vivo	EJBARN
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000103003	563982187	/nfs/dbraw/zinc/98/21/87/563982187.db2.gz	NGUNCVWFBVTSFI-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=C(Nc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000102111	563982188	/nfs/dbraw/zinc/98/21/88/563982188.db2.gz	RMAVITUDHMSPKM-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000000112635	563986548	/nfs/dbraw/zinc/98/65/48/563986548.db2.gz	TZGDZMTYTBKLBR-UHFFFAOYSA-N	0	0	334.331	4.639	50	5		EJBARN
Nc1ccccc1S[C@H](C[N+](=O)[O-])c1c(Cl)cccc1Cl	ZINC000000130943	563986924	/nfs/dbraw/zinc/98/69/24/563986924.db2.gz	AMKQHLVDVVCSJZ-CYBMUJFWSA-N	0	0	343.235	4.686	50	5		EJBARN
O=C(Oc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000268118	563989906	/nfs/dbraw/zinc/98/99/06/563989906.db2.gz	DWGGFIXIPXJJIW-UHFFFAOYSA-N	0	0	327.723	4.621	50	5		EJBARN
O=[N+]([O-])c1ccccc1SN(Cc1ccccc1)c1ccccn1	ZINC000000307450	563990810	/nfs/dbraw/zinc/99/08/10/563990810.db2.gz	NMXBZXWCFUWXIY-UHFFFAOYSA-N	0	0	337.404	4.704	50	5		EJBARN
CC(C)OC(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000000316467	563990924	/nfs/dbraw/zinc/99/09/24/563990924.db2.gz	ISXDMUUUZGWUAC-UHFFFAOYSA-N	0	0	335.743	4.606	50	5		EJBARN
O=[N+]([O-])c1ccc(Cc2nc3ccccc3nc2-c2ccccc2)cc1	ZINC000000324931	563991253	/nfs/dbraw/zinc/99/12/53/563991253.db2.gz	DESAQHCFQVNQIE-UHFFFAOYSA-N	0	0	341.370	4.796	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000358515	563991508	/nfs/dbraw/zinc/99/15/08/563991508.db2.gz	ZDNWEEDKLMDGCG-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000000370637	563991797	/nfs/dbraw/zinc/99/17/97/563991797.db2.gz	NZFPRJYBIKOXNP-UHFFFAOYSA-N	0	0	334.331	4.639	50	5		EJBARN
O=c1c2cc3c(ccc4ccccc43)oc-2nn1-c1ccc(Cl)cc1	ZINC000005031455	563993889	/nfs/dbraw/zinc/99/38/89/563993889.db2.gz	ZIHMRZBCPIBJAM-UHFFFAOYSA-N	0	0	346.773	4.890	50	5		EJBARN
O=[N+]([O-])c1cc(NCc2ncc(-c3cccc(Cl)c3)o2)ccc1F	ZINC000046577764	563995246	/nfs/dbraw/zinc/99/52/46/563995246.db2.gz	UPTHMCCZNJXOAR-UHFFFAOYSA-N	0	0	347.733	4.654	50	5		EJBARN
CC(C)COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000000447518	563999525	/nfs/dbraw/zinc/99/95/25/563999525.db2.gz	SBWSACKZJDPSQF-UHFFFAOYSA-N	0	0	348.786	4.535	50	5		EJBARN
CCc1cccc(CC)c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000000449717	563999570	/nfs/dbraw/zinc/99/95/70/563999570.db2.gz	BYPVBBFTYVDZGV-UHFFFAOYSA-N	0	0	332.787	4.625	50	5		EJBARN
Cc1cc(C(=O)OC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-]	ZINC000000467071	564000734	/nfs/dbraw/zinc/00/07/34/564000734.db2.gz	IWKKUYCVDAWDPA-UHFFFAOYSA-N	0	0	347.370	4.850	50	5		EJBARN
c1ccc2c(c1)nc1ccccc1c2-c1ccc(N2CCOCC2)cc1	ZINC000005336988	564002734	/nfs/dbraw/zinc/00/27/34/564002734.db2.gz	OFFULTFLHAEDGB-UHFFFAOYSA-N	0	0	340.426	4.892	50	5		EJBARN
CCCn1c2ccccc2c2nc3cc(OCC)c(OCC)cc3nc21	ZINC000000501818	564019077	/nfs/dbraw/zinc/01/90/77/564019077.db2.gz	UGVNGNFCXPPDAM-UHFFFAOYSA-N	0	0	349.434	4.945	50	5		EJBARN
Cc1noc(/C=C/c2c(OC(F)F)ccc3ccccc32)c1[N+](=O)[O-]	ZINC000101106796	564019139	/nfs/dbraw/zinc/01/91/39/564019139.db2.gz	YQMSEVFQAHGJPK-VQHVLOKHSA-N	0	0	346.289	4.816	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2noc(-c3ccc(-c4ccccc4)cc3)n2)c1	ZINC000000550225	564022837	/nfs/dbraw/zinc/02/28/37/564022837.db2.gz	JGDIDZXIBTYACS-UHFFFAOYSA-N	0	0	343.342	4.979	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1Cl	ZINC000048050753	564029896	/nfs/dbraw/zinc/02/98/96/564029896.db2.gz	GTPXCJPQHZSOGF-MRXNPFEDSA-N	0	0	345.786	4.617	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3-c3ccccc3)n2)c1	ZINC000000618391	564031850	/nfs/dbraw/zinc/03/18/50/564031850.db2.gz	XDDMLCFKBLDZGM-UHFFFAOYSA-N	0	0	343.342	4.979	50	5		EJBARN
O=C(Oc1ccc2ccccc2c1Cl)c1ccccc1[N+](=O)[O-]	ZINC000000620861	564033148	/nfs/dbraw/zinc/03/31/48/564033148.db2.gz	JQZSFIIKUOXHGC-UHFFFAOYSA-N	0	0	327.723	4.621	50	5		EJBARN
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000000799316	564034284	/nfs/dbraw/zinc/03/42/84/564034284.db2.gz	CQGJEVZHKMLSNN-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
O=C(Oc1ccc(C2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000003123142	564051561	/nfs/dbraw/zinc/05/15/61/564051561.db2.gz	QJQNXBOJROZTJG-UHFFFAOYSA-N	0	0	325.364	4.862	50	5		EJBARN
CC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000015207636	564056049	/nfs/dbraw/zinc/05/60/49/564056049.db2.gz	YGUMBYCCYPGLIS-UHFFFAOYSA-N	0	0	325.242	4.609	50	5		EJBARN
C[C@@H]1CCCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21	ZINC000001304355	564063061	/nfs/dbraw/zinc/06/30/61/564063061.db2.gz	ACSQLEAXOHQMGI-CQSZACIVSA-N	0	0	348.406	4.584	50	5		EJBARN
CCOc1ccc2c(c1)sc1nc(-c3cccc([N+](=O)[O-])c3)cn21	ZINC000001390343	564064403	/nfs/dbraw/zinc/06/44/03/564064403.db2.gz	WHNSCKRERBOGHG-UHFFFAOYSA-N	0	0	339.376	4.523	50	5		EJBARN
O=[N+]([O-])c1cc2[nH]cc3c2c(c1)Oc1ccc(Br)cc1C3	ZINC000001428672	564066863	/nfs/dbraw/zinc/06/68/63/564066863.db2.gz	NFNPUXIWAPSOCZ-UHFFFAOYSA-N	0	0	345.152	4.535	50	5		EJBARN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1c1cccs1	ZINC000085636206	564074359	/nfs/dbraw/zinc/07/43/59/564074359.db2.gz	RTVFMWXVHZHIDL-AWEZNQCLSA-N	0	0	345.424	4.642	50	5		EJBARN
O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2ccccc2)c2ccccc21	ZINC000001606329	564081722	/nfs/dbraw/zinc/08/17/22/564081722.db2.gz	PWDBUOFAVPIYFL-UHFFFAOYSA-N	0	0	326.333	4.807	50	5		EJBARN
Cc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc(C)c1O	ZINC000016409205	564084867	/nfs/dbraw/zinc/08/48/67/564084867.db2.gz	DRZBVKFNGRWAOD-ZZXKWVIFSA-N	0	0	326.377	4.697	50	5		EJBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000001752682	564087224	/nfs/dbraw/zinc/08/72/24/564087224.db2.gz	QOQKGEVYRROSFO-UHFFFAOYSA-N	0	0	339.273	4.566	50	5		EJBARN
CCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000001808588	564087752	/nfs/dbraw/zinc/08/77/52/564087752.db2.gz	FHPYNHDCFVCASB-UHFFFAOYSA-N	0	0	348.786	4.679	50	5		EJBARN
Cc1c(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-]	ZINC000089540485	564092737	/nfs/dbraw/zinc/09/27/37/564092737.db2.gz	HFVOYRBHRXSRME-SFHVURJKSA-N	0	0	330.815	4.798	50	5		EJBARN
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc2ccccc2c1	ZINC000007067928	564104178	/nfs/dbraw/zinc/10/41/78/564104178.db2.gz	DIJIAVTWJMGEFM-HNNXBMFYSA-N	0	0	348.402	4.510	50	5		EJBARN
Cc1ccc(-c2nc(S[C@H](C)c3cccc([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000007455703	564108638	/nfs/dbraw/zinc/10/86/38/564108638.db2.gz	FFTAAKOBZBWRAO-GFCCVEGCSA-N	0	0	340.408	4.542	50	5		EJBARN
Cc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1	ZINC000013793012	564112070	/nfs/dbraw/zinc/11/20/70/564112070.db2.gz	HSQZECPYSHKCHT-UHFFFAOYSA-N	0	0	335.816	4.674	50	5		EJBARN
Cc1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1	ZINC000002123083	564118445	/nfs/dbraw/zinc/11/84/45/564118445.db2.gz	LBQJNQVGWOVVEX-UHFFFAOYSA-N	0	0	343.382	4.611	50	5	biogenic	EJBARN
C[C@@H](OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)c1ccccc1	ZINC000002166272	564120200	/nfs/dbraw/zinc/12/02/00/564120200.db2.gz	WVQFLVUVBIPBSO-VXGBXAGGSA-N	0	0	348.380	4.719	50	5		EJBARN
CCc1cc(C)c(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)o1	ZINC000096002177	564144391	/nfs/dbraw/zinc/14/43/91/564144391.db2.gz	NWKLDQYRJVGWGS-UHFFFAOYSA-N	0	0	347.370	4.662	50	5		EJBARN
C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	ZINC000002648357	564151691	/nfs/dbraw/zinc/15/16/91/564151691.db2.gz	NGSDUCKIGINBOY-VIFPVBQESA-N	0	0	339.178	4.644	50	5		EJBARN
Cc1cc(Cl)ccc1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003166804	564155566	/nfs/dbraw/zinc/15/55/66/564155566.db2.gz	NAWIOWTXMJCBHL-UHFFFAOYSA-N	0	0	340.166	4.854	50	5		EJBARN
Cc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1	ZINC000003511312	564158598	/nfs/dbraw/zinc/15/85/98/564158598.db2.gz	OPQOIMWOOQUPRB-UHFFFAOYSA-N	0	0	344.366	4.612	50	5		EJBARN
O=c1c2ccccc2oc2cc(OC/C=C/c3ccccc3)cc(O)c12	ZINC000008516108	564165544	/nfs/dbraw/zinc/16/55/44/564165544.db2.gz	KXJYFKGWYXKESA-RMKNXTFCSA-N	0	0	344.366	4.744	50	5	biogenic	EJBARN
CC(C)c1ccc(O[C@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1	ZINC000076555408	564176475	/nfs/dbraw/zinc/17/64/75/564176475.db2.gz	XPQHLHQMJASBNO-GFCCVEGCSA-N	0	0	325.368	4.735	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2ccccc21	ZINC000004543433	210219582	/nfs/dbraw/zinc/21/95/82/210219582.db2.gz	REDDYZRJZFCJQE-UHFFFAOYSA-N	0	0	326.739	4.654	50	5		EJBARN
O=[N+]([O-])c1ccc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2c1	ZINC000004342275	210176137	/nfs/dbraw/zinc/17/61/37/210176137.db2.gz	SXUYOGVJZUSXKB-UHFFFAOYSA-N	0	0	335.150	4.588	50	5		EJBARN
CC(C)N(c1ccccc1)c1ncnc(Nc2ccccc2)c1[N+](=O)[O-]	ZINC000004054716	210108843	/nfs/dbraw/zinc/10/88/43/210108843.db2.gz	LYSHPYHYFAAWIX-UHFFFAOYSA-N	0	0	349.394	4.675	50	5		EJBARN
COc1ccccc1Oc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1	ZINC000045068477	213704750	/nfs/dbraw/zinc/70/47/50/213704750.db2.gz	IEHDJLQCMGJDRU-UHFFFAOYSA-N	0	0	349.342	4.627	50	5		EJBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1csc2ccccc12	ZINC000001000031	209699367	/nfs/dbraw/zinc/69/93/67/209699367.db2.gz	FDLWYBHFSPCWGO-UHFFFAOYSA-N	0	0	332.768	4.715	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2-c2ccc(Cl)cc2)c1	ZINC000026423047	202144355	/nfs/dbraw/zinc/14/43/55/202144355.db2.gz	LGZUWMMLVTXOKI-UHFFFAOYSA-N	0	0	331.784	4.763	50	5		EJBARN
Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000457803	209612378	/nfs/dbraw/zinc/61/23/78/209612378.db2.gz	NREDIBITDARKLJ-UHFFFAOYSA-N	0	0	346.386	4.750	50	5		EJBARN
Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1C(C)C	ZINC000000436580	209600507	/nfs/dbraw/zinc/60/05/07/209600507.db2.gz	ZNSIOPQQUSBXLQ-UHFFFAOYSA-N	0	0	333.771	4.899	50	5		EJBARN
Cc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-]	ZINC000000290830	209520183	/nfs/dbraw/zinc/52/01/83/209520183.db2.gz	IYLRDYCJHQYVQE-UHFFFAOYSA-N	0	0	344.370	4.727	50	5		EJBARN
O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1[N+](=O)[O-]	ZINC000000103157	209421574	/nfs/dbraw/zinc/42/15/74/209421574.db2.gz	IWLWJYOQIYGDKH-UHFFFAOYSA-N	0	0	345.569	4.807	50	5	in-vivo	EJBARN
O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1F	ZINC000000059332	209394363	/nfs/dbraw/zinc/39/43/63/209394363.db2.gz	ZKPZJEDZVGASOU-UHFFFAOYSA-N	0	0	336.322	4.653	50	5		EJBARN
Cc1c(OCc2ccc(F)cc2)ccc2c3ccccc3c(=O)oc12	ZINC000000046588	209389645	/nfs/dbraw/zinc/38/96/45/209389645.db2.gz	YVMMRHWLGPXUOD-UHFFFAOYSA-N	0	0	334.346	4.973	50	5		EJBARN
O=[N+]([O-])c1cccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)c1	ZINC000004851927	201622195	/nfs/dbraw/zinc/62/21/95/201622195.db2.gz	DJTKIILFRBLODT-OAQYLSRUSA-N	0	0	343.386	4.951	50	5		EJBARN
C[C@@H]1CC(C)(C)C[C@@H](Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])[C@@H]1C	ZINC000020569298	212147474	/nfs/dbraw/zinc/14/74/74/212147474.db2.gz	WZCPBHQNGPQOEP-YRGRVCCFSA-N	0	0	344.411	4.574	50	5		EJBARN
O=C(Nc1ccccc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000016503646	211910309	/nfs/dbraw/zinc/91/03/09/211910309.db2.gz	DIZVYQWVQZVFFG-UHFFFAOYSA-N	0	0	333.347	4.591	50	5		EJBARN
O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1[N+](=O)[O-]	ZINC000004853208	205725177	/nfs/dbraw/zinc/72/51/77/205725177.db2.gz	MGIFWMLOXBQQLL-UHFFFAOYSA-N	0	0	332.315	4.747	50	5		EJBARN
CCc1cccc(CC)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000145148	206207766	/nfs/dbraw/zinc/20/77/66/206207766.db2.gz	IAWPUQABOMKFRR-UHFFFAOYSA-N	0	0	332.787	4.625	50	5		EJBARN
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000003549529	206469448	/nfs/dbraw/zinc/46/94/48/206469448.db2.gz	XUMDIHFFCDHERZ-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
Cc1cc(OCc2ncc(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-]	ZINC000010320458	211163117	/nfs/dbraw/zinc/16/31/17/211163117.db2.gz	GYMNYGAXTQKIIA-UHFFFAOYSA-N	0	0	344.754	4.791	50	5		EJBARN
COc1ccc([N+](=O)[O-])cc1CNc1ccc2c(c1)Cc1ccccc1-2	ZINC000095418997	218358793	/nfs/dbraw/zinc/35/87/93/218358793.db2.gz	CSDCNNZOLKTCEH-UHFFFAOYSA-N	0	0	346.386	4.787	50	5		EJBARN
Cc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1[N+](=O)[O-]	ZINC000006997216	210753264	/nfs/dbraw/zinc/75/32/64/210753264.db2.gz	ONASTDVSXKBAMS-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc(Cl)c2)o1	ZINC000005101476	210390454	/nfs/dbraw/zinc/39/04/54/210390454.db2.gz	AQEVXZHMRSKAEN-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1	ZINC000005041794	210372477	/nfs/dbraw/zinc/37/24/77/210372477.db2.gz	PMFFUHRVOACQCV-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
COc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1	ZINC000005041383	210371385	/nfs/dbraw/zinc/37/13/85/210371385.db2.gz	MCDMFGHEKSVZLM-UHFFFAOYSA-N	0	0	345.424	4.536	50	5		EJBARN
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2ccccc2)cc1	ZINC000004953367	210337343	/nfs/dbraw/zinc/33/73/43/210337343.db2.gz	BKNQVSBDAWQHPY-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
O=C(NC1CCCCC1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000004858528	210303970	/nfs/dbraw/zinc/30/39/70/210303970.db2.gz	VSUIAYSEUIWFOB-UHFFFAOYSA-N	0	0	348.786	4.571	50	5		EJBARN
N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(Cl)cc1	ZINC000004772233	210276051	/nfs/dbraw/zinc/27/60/51/210276051.db2.gz	MUVWWJDDBCZVPQ-UHFFFAOYSA-N	0	0	348.789	4.971	50	5		EJBARN
Cc1cc(SCc2ccc([N+](=O)[O-])c(F)c2)n(-c2ccccc2)n1	ZINC000328589719	258044845	/nfs/dbraw/zinc/04/48/45/258044845.db2.gz	DKPJKJRLFZRQGJ-UHFFFAOYSA-N	0	0	343.383	4.520	50	5		EJBARN
O=[N+]([O-])C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1c1ccc(F)cc1	ZINC000000103581	563226624	/nfs/dbraw/zinc/22/66/24/563226624.db2.gz	JXSYYURINMMYGR-OAHLLOKOSA-N	0	0	340.137	4.884	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2nnc3c4ccccc4c4ccccc4n23)c1	ZINC000000342953	563287268	/nfs/dbraw/zinc/28/72/68/563287268.db2.gz	LYGRIPCROHYTCV-UHFFFAOYSA-N	0	0	340.342	4.611	50	5		EJBARN
O=[N+]([O-])c1cccc(OCCSC2=Nc3ccccc3CS2)c1	ZINC000071918083	563622486	/nfs/dbraw/zinc/62/24/86/563622486.db2.gz	GPOYIJPXCGLDFC-UHFFFAOYSA-N	0	0	346.433	4.641	50	5		EJBARN
CC(C)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000032666574	563678599	/nfs/dbraw/zinc/67/85/99/563678599.db2.gz	BXPHZQXLXRQDCC-UHFFFAOYSA-N	0	0	349.770	4.853	50	5		EJBARN
N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1Cl	ZINC000017072474	563836041	/nfs/dbraw/zinc/83/60/41/563836041.db2.gz	SKFPMOHGBADEPN-UHFFFAOYSA-N	0	0	348.789	4.971	50	5		EJBARN
CC(C)CSc1ccc(C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-]	ZINC000033019565	563928528	/nfs/dbraw/zinc/92/85/28/563928528.db2.gz	IBAHYPJERCLMDZ-UHFFFAOYSA-N	0	0	344.436	4.620	50	5		EJBARN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1	ZINC000013880525	563935796	/nfs/dbraw/zinc/93/57/96/563935796.db2.gz	HPPUNEJALNAVDH-FNORWQNLSA-N	0	0	337.162	4.554	50	5		EJBARN
O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3)c21	ZINC000000028991	563963367	/nfs/dbraw/zinc/96/33/67/563963367.db2.gz	RYKLYFDPFWMNBA-UHFFFAOYSA-N	0	0	348.314	4.745	50	5		EJBARN
CC(=O)c1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	ZINC000000045524	563968602	/nfs/dbraw/zinc/96/86/02/563968602.db2.gz	QSWQCWPJHUWLKP-UHFFFAOYSA-N	0	0	339.376	4.665	50	5		EJBARN
Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000000060402	563971250	/nfs/dbraw/zinc/97/12/50/563971250.db2.gz	SPUKUBVAMONLTA-UHFFFAOYSA-N	0	0	331.784	4.621	50	5		EJBARN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl	ZINC000004764839	563973501	/nfs/dbraw/zinc/97/35/01/563973501.db2.gz	XIZYPFIIRHVPHF-UHFFFAOYSA-N	0	0	345.569	4.807	50	5		EJBARN
Cc1nn(-c2ccccc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1	ZINC000000083004	563974656	/nfs/dbraw/zinc/97/46/56/563974656.db2.gz	HDOYEIKRJRBQRD-UHFFFAOYSA-N	0	0	325.393	4.549	50	5		EJBARN
O=C(/C=C\c1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-]	ZINC000033378359	563981550	/nfs/dbraw/zinc/98/15/50/563981550.db2.gz	UPHYAXZICGIZRR-HJWRWDBZSA-N	0	0	337.162	4.554	50	5		EJBARN
CC(=O)c1ccc(Sc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000003153666	563984291	/nfs/dbraw/zinc/98/42/91/563984291.db2.gz	SHYXJTWAIJXWOE-UHFFFAOYSA-N	0	0	341.310	4.967	50	5		EJBARN
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000000112738	563986542	/nfs/dbraw/zinc/98/65/42/563986542.db2.gz	GDWKBKTVROCPNZ-UHFFFAOYSA-N	0	0	334.331	4.639	50	5	in-vitro	EJBARN
O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1	ZINC000000146458	563987057	/nfs/dbraw/zinc/98/70/57/563987057.db2.gz	MRZJYPFAVLZVOG-UHFFFAOYSA-N	0	0	339.298	4.528	50	5		EJBARN
Cc1ccc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)cc1	ZINC000000193286	563988210	/nfs/dbraw/zinc/98/82/10/563988210.db2.gz	AMYRMROHYTXULV-UHFFFAOYSA-N	0	0	329.355	4.507	50	5		EJBARN
O=[N+]([O-])c1cc(-c2ccnn2-c2ccccc2)c(Cl)cc1Cl	ZINC000000207518	563988315	/nfs/dbraw/zinc/98/83/15/563988315.db2.gz	UCHVMWPWYKBHTL-UHFFFAOYSA-N	0	0	334.162	4.754	50	5		EJBARN
O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000000265780	563989881	/nfs/dbraw/zinc/98/98/81/563989881.db2.gz	GVKSGQBPOAZRMH-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)o2)cc1	ZINC000000261736	563989927	/nfs/dbraw/zinc/98/99/27/563989927.db2.gz	XSSRXWYJDQTDJR-UHFFFAOYSA-N	0	0	347.783	4.591	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000000276700	563990088	/nfs/dbraw/zinc/99/00/88/563990088.db2.gz	UVXXOPIHBYGAAY-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
Cc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C	ZINC000000276697	563990091	/nfs/dbraw/zinc/99/00/91/563990091.db2.gz	QUTUQFXOSCWBBI-UHFFFAOYSA-N	0	0	336.347	4.724	50	5		EJBARN
O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccccc1	ZINC000000336644	563991337	/nfs/dbraw/zinc/99/13/37/563991337.db2.gz	HPYIDDDLHXOZLZ-UHFFFAOYSA-N	0	0	343.342	4.997	50	5		EJBARN
O=C(Oc1cccc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl	ZINC000000358485	563991502	/nfs/dbraw/zinc/99/15/02/563991502.db2.gz	ZQFBTTHUHFXHCF-UHFFFAOYSA-N	0	0	333.752	4.682	50	5		EJBARN
O=C(Oc1ccccc1[N+](=O)[O-])N(c1ccccc1)c1ccccc1	ZINC000000377015	563991851	/nfs/dbraw/zinc/99/18/51/563991851.db2.gz	CBVUENBOEYPLTN-UHFFFAOYSA-N	0	0	334.331	4.932	50	5		EJBARN
Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000000439722	563999293	/nfs/dbraw/zinc/99/92/93/563999293.db2.gz	NXTUGIJDHKDTRZ-ZRDIBKRKSA-N	0	0	348.358	4.815	50	5		EJBARN
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl	ZINC000000463800	564000733	/nfs/dbraw/zinc/00/07/33/564000733.db2.gz	XJOAFQSXULIRPW-VMPITWQZSA-N	0	0	337.162	4.554	50	5		EJBARN
CC(C)(C)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000000467008	564000808	/nfs/dbraw/zinc/00/08/08/564000808.db2.gz	YCVOTJGXBMPUQJ-UHFFFAOYSA-N	0	0	332.787	4.798	50	5		EJBARN
O=[N+]([O-])c1cccc(-c2noc(-c3cc(Cl)ccc3Cl)n2)c1	ZINC000000471794	564006158	/nfs/dbraw/zinc/00/61/58/564006158.db2.gz	DQFZVNIFIBPNRP-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
Cc1cc(C)c2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1	ZINC000000476964	564006197	/nfs/dbraw/zinc/00/61/97/564006197.db2.gz	AEMGPSGMTWMFSS-UHFFFAOYSA-N	0	0	339.420	4.756	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2Cl)o1	ZINC000000543930	564022458	/nfs/dbraw/zinc/02/24/58/564022458.db2.gz	MGHQLWONXNHKIB-UHFFFAOYSA-N	0	0	342.738	4.761	50	5		EJBARN
O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1	ZINC000000619194	564031787	/nfs/dbraw/zinc/03/17/87/564031787.db2.gz	QCSQKSHPHOWEGR-UHFFFAOYSA-N	0	0	340.360	4.591	50	5		EJBARN
Cc1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000000859965	564051010	/nfs/dbraw/zinc/05/10/10/564051010.db2.gz	CMGMJXDWEYDRDA-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
O=C(Cc1ccc(-c2ccccc2)cc1)OCc1ccc([N+](=O)[O-])cc1	ZINC000003246338	564058632	/nfs/dbraw/zinc/05/86/32/564058632.db2.gz	YBUOZVGEVOUBNY-UHFFFAOYSA-N	0	0	347.370	4.548	50	5		EJBARN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1	ZINC000015417547	564062069	/nfs/dbraw/zinc/06/20/69/564062069.db2.gz	BNBBEYPLHFLBBF-KRXBUXKQSA-N	0	0	337.162	4.554	50	5		EJBARN
O=[N+]([O-])c1cccc(CN2CCC[C@H]2c2nc3ccccc3s2)c1	ZINC000015452137	564063232	/nfs/dbraw/zinc/06/32/32/564063232.db2.gz	CEGQFJXZJQMEGP-INIZCTEOSA-N	0	0	339.420	4.542	50	5		EJBARN
O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCC3)cc2)c(Cl)c1	ZINC000015554097	564068060	/nfs/dbraw/zinc/06/80/60/564068060.db2.gz	GGJPTWYCQIKOLM-UHFFFAOYSA-N	0	0	331.803	4.982	50	5		EJBARN
CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])c4cnccc34)c2O1	ZINC000006083506	564073655	/nfs/dbraw/zinc/07/36/55/564073655.db2.gz	SDPQFDKYYRXINX-UHFFFAOYSA-N	0	0	336.347	4.649	50	5		EJBARN
Oc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c(O)c1	ZINC000001506214	564074740	/nfs/dbraw/zinc/07/47/40/564074740.db2.gz	NBKDZHMKLVUYCC-UHFFFAOYSA-N	0	0	327.383	4.955	50	5		EJBARN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)Oc1ccc(F)cc1Cl	ZINC000002156371	564076092	/nfs/dbraw/zinc/07/60/92/564076092.db2.gz	FZZBMEDMDJYZJA-UHFFFAOYSA-N	0	0	345.113	4.652	50	5		EJBARN
Clc1ccccc1-c1cc2nnc3c4ccccc4ccc3n2n1	ZINC000075283624	564081459	/nfs/dbraw/zinc/08/14/59/564081459.db2.gz	ZVIQKZMCBUFCEW-UHFFFAOYSA-N	0	0	330.778	4.751	50	5		EJBARN
Cc1ccc(C)c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000006510802	564091340	/nfs/dbraw/zinc/09/13/40/564091340.db2.gz	BKOJFUYLYFQUPF-UHFFFAOYSA-N	0	0	341.392	4.554	50	5		EJBARN
C[C@@H](SC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000006510762	564091363	/nfs/dbraw/zinc/09/13/63/564091363.db2.gz	NTPYQNNPQXBXAJ-SNVBAGLBSA-N	0	0	342.848	4.641	50	5		EJBARN
Cc1ccc(Cl)c(NSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000002029118	564091400	/nfs/dbraw/zinc/09/14/00/564091400.db2.gz	SQNOVHQZUVSKKJ-UHFFFAOYSA-N	0	0	339.760	4.584	50	5		EJBARN
O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1ccccc1Cl	ZINC000006660594	564095560	/nfs/dbraw/zinc/09/55/60/564095560.db2.gz	IWZZPXOPDKNQPM-UHFFFAOYSA-N	0	0	349.773	4.852	50	5		EJBARN
c1ccc2cc3c(cc2c1)nc1sc2nc4ccccc4nc2n13	ZINC000007089661	564104652	/nfs/dbraw/zinc/10/46/52/564104652.db2.gz	UDFFFXZLQBXKAS-UHFFFAOYSA-N	0	0	326.384	4.799	50	5		EJBARN
O=[N+]([O-])c1ccccc1NC(=S)Nc1cccc(Cl)c1Cl	ZINC000013790867	564112044	/nfs/dbraw/zinc/11/20/44/564112044.db2.gz	WMFKWBVJLJKOIT-UHFFFAOYSA-N	0	0	342.207	4.711	50	5		EJBARN
O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@H]1c1nc2ccccc2o1	ZINC000089874878	564114650	/nfs/dbraw/zinc/11/46/50/564114650.db2.gz	ZBWAGCGKRFXUPS-HNNXBMFYSA-N	0	0	341.342	4.607	50	5		EJBARN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Cl)c1	ZINC000002167927	564120201	/nfs/dbraw/zinc/12/02/01/564120201.db2.gz	TYWWSKCZFTYMKX-UHFFFAOYSA-N	0	0	326.139	4.546	50	5		EJBARN
O=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	ZINC000002170565	564120638	/nfs/dbraw/zinc/12/06/38/564120638.db2.gz	LGFFIISIZVCKKN-OWOJBTEDSA-N	0	0	339.134	4.980	50	5		EJBARN
COc1cc(/C=C\[N+](=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000139658846	564123509	/nfs/dbraw/zinc/12/35/09/564123509.db2.gz	HCLXGBLVWVFARU-QXMHVHEDSA-N	0	0	335.359	4.675	50	5		EJBARN
O=[N+]([O-])c1cc(CN2CCCC[C@@H]2c2nc3ccccc3o2)cs1	ZINC000079110794	564137950	/nfs/dbraw/zinc/13/79/50/564137950.db2.gz	JXIHIASIDMRKEC-CQSZACIVSA-N	0	0	343.408	4.525	50	5		EJBARN
O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Oc2ccccc2)c1	ZINC000002635047	564151570	/nfs/dbraw/zinc/15/15/70/564151570.db2.gz	HMBXDQDOWDUFOB-UHFFFAOYSA-N	0	0	349.342	4.744	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-]	ZINC000002999754	564154239	/nfs/dbraw/zinc/15/42/39/564154239.db2.gz	IIRHDNJMTUCVQF-UHFFFAOYSA-N	0	0	344.676	4.519	50	5		EJBARN
CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](CC)c1ccccc1	ZINC000003137240	564155365	/nfs/dbraw/zinc/15/53/65/564155365.db2.gz	IJYZEAYSSXMGPU-QZTJIDSGSA-N	0	0	327.380	4.724	50	5		EJBARN
CCN(Cc1csc([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1	ZINC000058378163	564158916	/nfs/dbraw/zinc/15/89/16/564158916.db2.gz	NEEZDBJXSDIEFO-GFCCVEGCSA-N	0	0	330.409	4.986	50	5		EJBARN
CC(C)(C)C(=O)CSc1nc2ccccc2c2nc3ccccc3n21	ZINC000004246582	564161240	/nfs/dbraw/zinc/16/12/40/564161240.db2.gz	YQYJNGKHNGBSCR-UHFFFAOYSA-N	0	0	349.459	4.743	50	5		EJBARN
CC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1	ZINC000008357346	564164705	/nfs/dbraw/zinc/16/47/05/564164705.db2.gz	KZVZFMRQRIPKAB-UHFFFAOYSA-N	0	0	338.407	4.523	50	5		EJBARN
CCCCN(CCCC)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000004583070	210226813	/nfs/dbraw/zinc/22/68/13/210226813.db2.gz	ZOKDXPZFULFCFB-UHFFFAOYSA-N	0	0	327.812	4.682	50	5		EJBARN
O=C(Nc1ccc(Cl)cc1)c1cccc2nc3ccccc3nc21	ZINC000004257426	210154055	/nfs/dbraw/zinc/15/40/55/210154055.db2.gz	TUXUIBPTGCOMQV-UHFFFAOYSA-N	0	0	333.778	4.689	50	5		EJBARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1c[nH]c2ccccc12	ZINC000004167851	210138567	/nfs/dbraw/zinc/13/85/67/210138567.db2.gz	OLVOOKVBWQEOMH-UHFFFAOYSA-N	0	0	349.312	4.750	50	5		EJBARN
O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1cc(Cl)cc(Cl)c1	ZINC000004078797	210114797	/nfs/dbraw/zinc/11/47/97/210114797.db2.gz	CWHWQKNGQXJUHN-HNQUOIGGSA-N	0	0	343.191	4.615	50	5		EJBARN
O=[N+]([O-])c1ccc(Nc2ccc(Oc3ccccc3)cc2)c2nonc21	ZINC000003879187	210083925	/nfs/dbraw/zinc/08/39/25/210083925.db2.gz	GPEFCJMKKRHHOG-UHFFFAOYSA-N	0	0	348.318	4.667	50	5		EJBARN
Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000003554051	210052918	/nfs/dbraw/zinc/05/29/18/210052918.db2.gz	DSKOVWIIARFKRQ-UHFFFAOYSA-N	0	0	348.358	4.948	50	5		EJBARN
C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000002648355	209883868	/nfs/dbraw/zinc/88/38/68/209883868.db2.gz	YJHLPIYOMFQSHP-VIFPVBQESA-N	0	0	339.178	4.644	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2ccc3ccncc3c2)cc1C(F)(F)F	ZINC000002640584	209881080	/nfs/dbraw/zinc/88/10/80/209881080.db2.gz	ARYABEDKMYYIKX-UHFFFAOYSA-N	0	0	334.253	4.954	50	5		EJBARN
O=[N+]([O-])c1cc(NCc2coc(-c3cccs3)n2)ccc1Cl	ZINC000024923821	202122526	/nfs/dbraw/zinc/12/25/26/202122526.db2.gz	RNYNLGVWSROAHF-UHFFFAOYSA-N	0	0	335.772	4.577	50	5		EJBARN
O=[N+]([O-])c1ccc(Br)c(OCc2ccccc2Cl)c1	ZINC000036719641	213113103	/nfs/dbraw/zinc/11/31/03/213113103.db2.gz	DWEJNRJOQYQNPN-UHFFFAOYSA-N	0	0	342.576	4.590	50	5		EJBARN
Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000036620472	213104879	/nfs/dbraw/zinc/10/48/79/213104879.db2.gz	QRYLMUDEZYDANR-GOSISDBHSA-N	0	0	339.395	4.581	50	5		EJBARN
CC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	ZINC000000446421	209606349	/nfs/dbraw/zinc/60/63/49/209606349.db2.gz	IBCSIGZUVJKKGL-UHFFFAOYSA-N	0	0	330.390	4.558	50	5		EJBARN
O=[N+]([O-])c1cccc2nc(/C=C\c3ccccc3OC(F)F)ccc21	ZINC000033631662	202267977	/nfs/dbraw/zinc/26/79/77/202267977.db2.gz	MGSZJBQJVCGODS-HJWRWDBZSA-N	0	0	342.301	4.915	50	5		EJBARN
C[C@@H]1CC(C)(C)Nc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000000316820	209532518	/nfs/dbraw/zinc/53/25/18/209532518.db2.gz	JMEBGWUQJNIWHG-GFCCVEGCSA-N	0	0	340.379	4.512	50	5		EJBARN
O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccccc2)o1	ZINC000000273936	209514450	/nfs/dbraw/zinc/51/44/50/209514450.db2.gz	VIUMSGOHJAGSFZ-UHFFFAOYSA-N	0	0	340.338	4.663	50	5		EJBARN
N#CC(Cc1cccc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1	ZINC000000173434	209463024	/nfs/dbraw/zinc/46/30/24/209463024.db2.gz	NOJPTRXYVOQBFI-UHFFFAOYSA-N	0	0	328.371	4.647	50	5		EJBARN
O=C(c1ccc([N+](=O)[O-])cc1)N1c2ccccc2CCc2ccccc21	ZINC000000055116	209392676	/nfs/dbraw/zinc/39/26/76/209392676.db2.gz	QKYKXKAMPIBNOJ-UHFFFAOYSA-N	0	0	344.370	4.672	50	5		EJBARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1ccc(-c2cccs2)n1	ZINC000000066445	201429182	/nfs/dbraw/zinc/42/91/82/201429182.db2.gz	BYACMUXIPOWEAM-UHFFFAOYSA-N	0	0	339.298	4.528	50	5		EJBARN
O=[N+]([O-])c1ccc(Oc2nnc(-c3ccccc3)c3ccccc32)cc1	ZINC000000142780	201439861	/nfs/dbraw/zinc/43/98/61/201439861.db2.gz	WHTDKPLQPDSJTM-UHFFFAOYSA-N	0	0	343.342	4.997	50	5		EJBARN
Cc1ccc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)cc1C	ZINC000000381311	201466522	/nfs/dbraw/zinc/46/65/22/201466522.db2.gz	LLYYSKIRZDAUPH-UHFFFAOYSA-N	0	0	343.382	4.815	50	5		EJBARN
O=[N+]([O-])c1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1	ZINC000048038879	204341108	/nfs/dbraw/zinc/34/11/08/204341108.db2.gz	SVBKAAMYJVDUTR-FQEVSTJZSA-N	0	0	336.366	4.613	50	5		EJBARN
Cc1c2oc3c(nc4c(c(=O)[nH]n4C(C)C)c3C(C)C)c2ccc1O	ZINC000079501910	217235011	/nfs/dbraw/zinc/23/50/11/217235011.db2.gz	GPKLWGYWNJRXFX-UHFFFAOYSA-N	0	0	339.395	4.755	50	5		EJBARN
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21	ZINC000012491172	211393064	/nfs/dbraw/zinc/39/30/64/211393064.db2.gz	HMRLZXGSSGAADY-HXUWFJFHSA-N	0	0	342.358	4.584	50	5		EJBARN
Cc1c(OC(=O)c2cccs2)ccc2c3ccccc3c(=O)oc12	ZINC000011692228	211235246	/nfs/dbraw/zinc/23/52/46/211235246.db2.gz	KOTJQIBXIKZSNJ-UHFFFAOYSA-N	0	0	336.368	4.535	50	5		EJBARN
O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1cccc(Cl)c1	ZINC000006660708	210672764	/nfs/dbraw/zinc/67/27/64/210672764.db2.gz	MQZUJHKRNBZFCI-UHFFFAOYSA-N	0	0	349.773	4.852	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2c[nH]c(SCc3ccccc3Cl)n2)cc1	ZINC000005819104	210541754	/nfs/dbraw/zinc/54/17/54/210541754.db2.gz	RMPJRNWBZOBVOS-UHFFFAOYSA-N	0	0	345.811	4.931	50	5	aggregator	EJBARN
CCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000004819617	210286880	/nfs/dbraw/zinc/28/68/80/210286880.db2.gz	PSMWQERLSORHAA-UHFFFAOYSA-N	0	0	348.786	4.679	50	5		EJBARN
CN1c2ccccc2[C@]2(C)CCCC3=Cc4cccc([N+](=O)[O-])c4O[C@]312	ZINC000004794758	210280371	/nfs/dbraw/zinc/28/03/71/210280371.db2.gz	AOQKMJVGELKIIG-SFTDATJTSA-N	0	0	348.402	4.659	50	5	aggregator	EJBARN
O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCCCCC1	ZINC000007754202	262519769	/nfs/dbraw/zinc/51/97/69/262519769.db2.gz	YDAVTMBRZQEXLX-UHFFFAOYSA-N	0	0	348.786	4.524	50	5		EJBARN
Cc1ccc(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc32)cc1	ZINC000000407233	563306949	/nfs/dbraw/zinc/30/69/49/563306949.db2.gz	SUVHEVLHHOJSMM-UHFFFAOYSA-N	0	0	344.366	4.516	50	5		EJBARN
O=c1oc2cc(OCc3c(F)cccc3F)ccc2c2ccccc12	ZINC000000609433	563352850	/nfs/dbraw/zinc/35/28/50/563352850.db2.gz	LVLSIJYGOZMCFU-UHFFFAOYSA-N	0	0	338.309	4.803	50	5		EJBARN
COc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1OC	ZINC000002566082	563442261	/nfs/dbraw/zinc/44/22/61/563442261.db2.gz	HZACSJPHOPKIHC-UHFFFAOYSA-N	0	0	332.355	4.630	50	5		EJBARN
O=C(Nc1csc([N+](=O)[O-])c1)Nc1c(Cl)cccc1Cl	ZINC000004323515	563644327	/nfs/dbraw/zinc/64/43/27/563644327.db2.gz	AATXXTHMITUAOJ-UHFFFAOYSA-N	0	0	332.168	4.607	50	5		EJBARN
Cc1ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)sc2c1	ZINC000004497801	563735009	/nfs/dbraw/zinc/73/50/09/563735009.db2.gz	KTXOCHZGDSHYSU-UHFFFAOYSA-N	0	0	343.407	4.718	50	5		EJBARN
O=[N+]([O-])c1ccc(N[C@@H](c2cccs2)c2ccccc2)c(F)c1	ZINC000032923377	563825270	/nfs/dbraw/zinc/82/52/70/563825270.db2.gz	HEXPPSVZGQSSRJ-QGZVFWFLSA-N	0	0	328.368	4.997	50	5		EJBARN
O=[N+]([O-])c1ccccc1NC(=S)Nc1cc(Cl)ccc1Cl	ZINC000013790871	563934037	/nfs/dbraw/zinc/93/40/37/563934037.db2.gz	YOOJBOQARPMJGB-UHFFFAOYSA-N	0	0	342.207	4.711	50	5		EJBARN
CCCCSc1cc2c(c([N+](=O)[O-])c1)C(=O)Nc1ccccc1O2	ZINC000004722428	563966271	/nfs/dbraw/zinc/96/62/71/563966271.db2.gz	YUNYSIVHRIYKEC-UHFFFAOYSA-N	0	0	344.392	4.845	50	5		EJBARN
Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-]	ZINC000000038834	563967500	/nfs/dbraw/zinc/96/75/00/563967500.db2.gz	ZTWOUZCJELLHDT-UHFFFAOYSA-N	0	0	346.386	4.674	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1	ZINC000000070437	563973713	/nfs/dbraw/zinc/97/37/13/563973713.db2.gz	PKBBCFBQPGRMSQ-UHFFFAOYSA-N	0	0	336.134	4.619	50	5		EJBARN
O=[N+]([O-])c1ccc(COc2ccc(OCc3ccccc3)cc2)cc1	ZINC000000225870	563988904	/nfs/dbraw/zinc/98/89/04/563988904.db2.gz	RLNOVFPFKWIXID-UHFFFAOYSA-N	0	0	335.359	4.753	50	5		EJBARN
O=C(Nc1cccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000241705	563989143	/nfs/dbraw/zinc/98/91/43/563989143.db2.gz	DAUUMOUZFNOINO-UHFFFAOYSA-N	0	0	326.739	4.654	50	5		EJBARN
CC(C)c1ccc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000000253778	563989696	/nfs/dbraw/zinc/98/96/96/563989696.db2.gz	HLBRDTZRQRHANV-BJMVGYQFSA-N	0	0	328.343	4.509	50	5		EJBARN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1	ZINC000004854519	563992098	/nfs/dbraw/zinc/99/20/98/563992098.db2.gz	WIMYEJCCJNQKIL-UHFFFAOYSA-N	0	0	348.358	4.568	50	5		EJBARN
Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)ccc1[N+](=O)[O-]	ZINC000000436589	563999362	/nfs/dbraw/zinc/99/93/62/563999362.db2.gz	NVOQVYBGHRIXEB-UHFFFAOYSA-N	0	0	332.359	4.823	50	5		EJBARN
O=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1	ZINC000000467580	564000767	/nfs/dbraw/zinc/00/07/67/564000767.db2.gz	WMKCVFHUUMTQQO-UHFFFAOYSA-N	0	0	345.660	4.872	50	5		EJBARN
C/C=C/c1c(F)c(F)c(Oc2ccc([N+](=O)[O-])cc2)c(F)c1F	ZINC000000472130	564006142	/nfs/dbraw/zinc/00/61/42/564006142.db2.gz	IIDSPPRJPREMCX-NSCUHMNNSA-N	0	0	327.233	4.977	50	5		EJBARN
Cc1cc2ccccn2c1[C@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000005602996	564006233	/nfs/dbraw/zinc/00/62/33/564006233.db2.gz	XBQZWFCWPRCJNB-MRXNPFEDSA-N	0	0	348.324	4.675	50	5		EJBARN
CC(C)Cc1ccc([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000000484580	564016912	/nfs/dbraw/zinc/01/69/12/564016912.db2.gz	VWELZUQKCIYWKO-AWEZNQCLSA-N	0	0	326.396	4.536	50	5		EJBARN
CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000000484579	564016922	/nfs/dbraw/zinc/01/69/22/564016922.db2.gz	VWELZUQKCIYWKO-CQSZACIVSA-N	0	0	326.396	4.536	50	5		EJBARN
C[C@]12CCCC[C@]13Oc1ccc([N+](=O)[O-])cc1CN3c1ccccc12	ZINC000000506965	564019547	/nfs/dbraw/zinc/01/95/47/564019547.db2.gz	ZECWOPIXKZIXBD-UXHICEINSA-N	0	0	336.391	4.535	50	5		EJBARN
CCc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000539402	564022302	/nfs/dbraw/zinc/02/23/02/564022302.db2.gz	QFDFYVAREWAPHR-UHFFFAOYSA-N	0	0	336.347	4.670	50	5		EJBARN
Cc1nc(-c2ccc([C@H](C)Nc3ncccc3[N+](=O)[O-])cc2)cs1	ZINC000024828490	564034013	/nfs/dbraw/zinc/03/40/13/564034013.db2.gz	LRENLZNGFSSBMF-NSHDSACASA-N	0	0	340.408	4.595	50	5		EJBARN
C[C@H](NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)C(C)(C)C	ZINC000001056527	564054267	/nfs/dbraw/zinc/05/42/67/564054267.db2.gz	JWUACHIPJWCTHH-QMMMGPOBSA-N	0	0	340.832	4.627	50	5		EJBARN
O=C(Nc1cccc(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000001071752	564054276	/nfs/dbraw/zinc/05/42/76/564054276.db2.gz	DVIJRXRHTKSZGQ-UHFFFAOYSA-N	0	0	344.798	4.699	50	5		EJBARN
O=[N+]([O-])c1ccc(-c2cn3c4ccc(Cl)cc4sc3n2)cc1	ZINC000003877639	564057757	/nfs/dbraw/zinc/05/77/57/564057757.db2.gz	RRQXOWMCHFIRHV-UHFFFAOYSA-N	0	0	329.768	4.778	50	5		EJBARN
Cc1ccc(Sc2ccc(COC(=O)C3CC3)cc2[N+](=O)[O-])cc1	ZINC000001405586	564064950	/nfs/dbraw/zinc/06/49/50/564064950.db2.gz	DSZCNKXPIZXZCI-UHFFFAOYSA-N	0	0	343.404	4.508	50	5		EJBARN
O=C1c2ccc([N+](=O)[O-])cc2Oc2ccccc2N1Cc1ccccc1	ZINC000001430631	564066931	/nfs/dbraw/zinc/06/69/31/564066931.db2.gz	VIBSVYSMVOGKPZ-UHFFFAOYSA-N	0	0	346.342	4.548	50	5		EJBARN
Cc1ccc2cc(COc3ccc([N+](=O)[O-])c(C)c3)c(Cl)nc2c1	ZINC000015545353	564067901	/nfs/dbraw/zinc/06/79/01/564067901.db2.gz	BONDIMJLQXNPJE-UHFFFAOYSA-N	0	0	342.782	4.992	50	5		EJBARN
C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000012852988	564075425	/nfs/dbraw/zinc/07/54/25/564075425.db2.gz	TXNATSCGZGGKHA-HNNXBMFYSA-N	0	0	346.386	4.753	50	5		EJBARN
CCCCOc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000001777436	564087501	/nfs/dbraw/zinc/08/75/01/564087501.db2.gz	IPJYSWLITTYHCB-UHFFFAOYSA-N	0	0	348.786	4.679	50	5		EJBARN
C=Cc1ccc(COc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1	ZINC000006905144	564101101	/nfs/dbraw/zinc/10/11/01/564101101.db2.gz	LEMGDXVLBAMAFN-UHFFFAOYSA-N	0	0	344.366	4.874	50	5	biogenic	EJBARN
O=C(Nc1cccc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1	ZINC000007159306	564105489	/nfs/dbraw/zinc/10/54/89/564105489.db2.gz	GLVPHEOBWYHTNM-UHFFFAOYSA-N	0	0	334.331	4.639	50	5		EJBARN
O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000017071497	564116349	/nfs/dbraw/zinc/11/63/49/564116349.db2.gz	HAUGUTQIZLELCO-UHFFFAOYSA-N	0	0	342.207	4.711	50	5		EJBARN
Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)o1	ZINC000170634631	564116623	/nfs/dbraw/zinc/11/66/23/564116623.db2.gz	RCHMLXWYGONATF-MRXNPFEDSA-N	0	0	343.383	4.645	50	5		EJBARN
Cc1ccccc1N1COc2ccc3c4ccccc4c(=O)oc3c2C1	ZINC000002123827	564118452	/nfs/dbraw/zinc/11/84/52/564118452.db2.gz	KHELCARHHQNMCU-UHFFFAOYSA-N	0	0	343.382	4.611	50	5	biogenic	EJBARN
Cc1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000002162672	564120178	/nfs/dbraw/zinc/12/01/78/564120178.db2.gz	BORNVCQKFZECLM-UHFFFAOYSA-N	0	0	342.229	4.623	50	5		EJBARN
O=[N+]([O-])c1ccc(N[C@H]2CCc3cc(Cl)ccc32)c2ncccc12	ZINC000095369490	564139333	/nfs/dbraw/zinc/13/93/33/564139333.db2.gz	QYCOICOFADDKBS-HNNXBMFYSA-N	0	0	339.782	4.896	50	5		EJBARN
C[C@H](C(=O)Nc1ccccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000002648341	564151852	/nfs/dbraw/zinc/15/18/52/564151852.db2.gz	HZSIHOXGCHSICV-ZDUSSCGKSA-N	0	0	326.396	4.635	50	5		EJBARN
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1	ZINC000002747387	564152393	/nfs/dbraw/zinc/15/23/93/564152393.db2.gz	KDUYRHZKYFMZHJ-UHFFFAOYSA-N	0	0	336.322	4.653	50	5		EJBARN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1sc2ccccc2c1Cl	ZINC000003273409	564156844	/nfs/dbraw/zinc/15/68/44/564156844.db2.gz	SSJRKJWCAFRUDA-UHFFFAOYSA-N	0	0	347.779	4.820	50	5		EJBARN
CC[C@@H](C)c1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1	ZINC000003291955	564157100	/nfs/dbraw/zinc/15/71/00/564157100.db2.gz	NKUCHQUKGJLFPD-CYBMUJFWSA-N	0	0	337.375	4.576	50	5		EJBARN
CCN(C(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1C	ZINC000003326984	564157368	/nfs/dbraw/zinc/15/73/68/564157368.db2.gz	IUGOYMDBIDTPLF-UHFFFAOYSA-N	0	0	349.843	4.780	50	5		EJBARN
CCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12	ZINC000007984165	564161775	/nfs/dbraw/zinc/16/17/75/564161775.db2.gz	CMFNIPSGXYNRJE-UHFFFAOYSA-N	0	0	345.738	4.709	50	5		EJBARN
Cc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3Cl)o2)cc1	ZINC000008199831	564163551	/nfs/dbraw/zinc/16/35/51/564163551.db2.gz	NOTJUUITXURPGS-UHFFFAOYSA-N	0	0	347.783	4.758	50	5		EJBARN
CCCCNc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-]	ZINC000008586990	564165889	/nfs/dbraw/zinc/16/58/89/564165889.db2.gz	PCACHUXWSJOQCT-UHFFFAOYSA-N	0	0	338.367	4.524	50	5		EJBARN
O=c1oc2ccccc2c(Nc2ccc3ccccc3c2)c1[N+](=O)[O-]	ZINC000008687162	564166372	/nfs/dbraw/zinc/16/63/72/564166372.db2.gz	IOCXATKDXYCKOZ-UHFFFAOYSA-N	0	0	332.315	4.598	50	5		EJBARN