smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(NC(=O)CSc2ncnc3c4cc5c(C)cc(C)cc5nc4sc32)cc(OC)c1	ZINC000001327856	194088201	/nfs/dbraw/zinc/08/82/01/194088201.db2.gz	NNBXBOORGPXNNV-UHFFFAOYSA-N	0	0	490.610	5.758	40	5		JKBBRN
COc1cc(NC(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)cc(OC)c1	ZINC000001327851	194088249	/nfs/dbraw/zinc/08/82/49/194088249.db2.gz	DXFBMIXCOFVSJP-UHFFFAOYSA-N	0	0	462.556	5.141	40	5		JKBBRN
N=c1oc2cc3c4c(cccc4C(=O)N(c4ccccc4)C3=O)c2cc1-c1nc2ccccc2[nH]1	ZINC000003115900	194227818	/nfs/dbraw/zinc/22/78/18/194227818.db2.gz	FKLJUVOUUMGIJY-UHFFFAOYSA-N	0	0	456.461	5.409	40	5		JKBBRN
Clc1c(Cl)c(Cl)c2c(c1Cl)OC[C@@H](c1ccc3cc4ccccc4cc3c1)O2	ZINC000003844425	194364029	/nfs/dbraw/zinc/36/40/29/194364029.db2.gz	DGUGRHYLLRMJBK-INIZCTEOSA-N	0	0	450.148	8.119	40	5		JKBBRN
O=C(c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1)c1cccc2ccccc21	ZINC000003848887	194364534	/nfs/dbraw/zinc/36/45/34/194364534.db2.gz	AZEIHPIQTTXRQW-UHFFFAOYSA-N	0	0	484.489	5.467	40	5		JKBBRN
C[C@@H]1[C@@H]2NC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12	ZINC000004767742	194398346	/nfs/dbraw/zinc/39/83/46/194398346.db2.gz	ZPBHDPZFICVTNZ-COJQNKITSA-N	0	0	457.861	5.448	40	5		JKBBRN
CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000020610276	195183335	/nfs/dbraw/zinc/18/33/35/195183335.db2.gz	RTGHZQBOLUCXQK-UUILKARUSA-N	0	0	463.881	5.033	40	5		JKBBRN
CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610169	195183380	/nfs/dbraw/zinc/18/33/80/195183380.db2.gz	RJOFAMSSGMUTNZ-UHFFFAOYSA-N	0	0	453.458	5.403	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3Cl)o2)c([N+](=O)[O-])c1	ZINC000020610915	195184328	/nfs/dbraw/zinc/18/43/28/195184328.db2.gz	KSLLNGBFIFJHPS-UHFFFAOYSA-N	0	0	473.876	5.803	40	5		JKBBRN
CCc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1	ZINC000020611204	195184938	/nfs/dbraw/zinc/18/49/38/195184938.db2.gz	SKDBUYZYNISVLN-UHFFFAOYSA-N	0	0	491.960	6.320	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc([N+](=O)[O-])cc3N3CCOCC3)o2)cc1Cl	ZINC000020611834	195185859	/nfs/dbraw/zinc/18/58/59/195185859.db2.gz	QEPCTSKVCCHKPL-RMKNXTFCSA-N	0	0	467.909	5.305	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	ZINC000020611826	195185950	/nfs/dbraw/zinc/18/59/50/195185950.db2.gz	GPAMTRLKYMXIGX-JXMROGBWSA-N	0	0	498.333	5.106	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000020611844	195186040	/nfs/dbraw/zinc/18/60/40/195186040.db2.gz	IKJSYJXJVZTRMR-UHFFFAOYSA-N	0	0	462.289	5.251	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1sc2cc(Cl)ccc2c1Cl	ZINC000020611782	195186052	/nfs/dbraw/zinc/18/60/52/195186052.db2.gz	MIYNCSQXPAWZIO-UHFFFAOYSA-N	0	0	452.319	5.205	40	5		JKBBRN
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000020753385	195215543	/nfs/dbraw/zinc/21/55/43/195215543.db2.gz	SRMOKYOAVWUOAH-UHFFFAOYSA-N	0	0	477.933	5.498	40	5		JKBBRN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1	ZINC000020797310	195225975	/nfs/dbraw/zinc/22/59/75/195225975.db2.gz	JHLOLAZWGGXPNZ-JOCHJYFZSA-N	0	0	459.893	5.526	40	5		JKBBRN
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1	ZINC000020797530	195226111	/nfs/dbraw/zinc/22/61/11/195226111.db2.gz	APVMKIKASJYTHD-QFIPXVFZSA-N	0	0	459.893	5.526	40	5		JKBBRN
COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000020970298	195257600	/nfs/dbraw/zinc/25/76/00/195257600.db2.gz	VURLFYKUIRGGSB-QHCPKHFHSA-N	0	0	489.919	5.534	40	5		JKBBRN
CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000020970175	195257644	/nfs/dbraw/zinc/25/76/44/195257644.db2.gz	LLSKGFAELHALDN-DEOSSOPVSA-N	0	0	487.947	6.088	40	5		JKBBRN
CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020970361	195257839	/nfs/dbraw/zinc/25/78/39/195257839.db2.gz	OCHFBLMJRVBWNV-DEOSSOPVSA-N	0	0	469.501	5.271	40	5		JKBBRN
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-]	ZINC000021123901	195279989	/nfs/dbraw/zinc/27/99/89/195279989.db2.gz	MRQFLONFMXHCSG-UHFFFAOYSA-N	0	0	452.206	5.331	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000021305963	195293621	/nfs/dbraw/zinc/29/36/21/195293621.db2.gz	BAUKTZDDKUSGPB-RUDMXATFSA-N	0	0	492.340	5.354	40	5		JKBBRN
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	ZINC000021596015	195318298	/nfs/dbraw/zinc/31/82/98/195318298.db2.gz	WAKPJAFHAAZXCN-UHFFFAOYSA-N	0	0	471.517	5.595	40	5		JKBBRN
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2C(N)=O)C1	ZINC000021596044	195318303	/nfs/dbraw/zinc/31/83/03/195318303.db2.gz	NCEPRHFRNFPIBG-SNVBAGLBSA-N	0	0	492.022	6.027	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2[N+](=O)[O-])CC1	ZINC000021596010	195318359	/nfs/dbraw/zinc/31/83/59/195318359.db2.gz	FTPINOGGIVILLY-UHFFFAOYSA-N	0	0	492.963	5.989	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2Br)cc1	ZINC000059409118	195399221	/nfs/dbraw/zinc/39/92/21/195399221.db2.gz	AMBYFLDBFVIUGG-OAQYLSRUSA-N	0	0	470.348	5.633	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000059417211	195399619	/nfs/dbraw/zinc/39/96/19/195399619.db2.gz	IKHBHIBEWFBHPZ-UHFFFAOYSA-N	0	0	454.763	6.451	40	5		JKBBRN
O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1	ZINC000059417255	195399796	/nfs/dbraw/zinc/39/97/96/195399796.db2.gz	CMDGWLYIMINGSQ-UHFFFAOYSA-N	0	0	491.297	5.612	40	5		JKBBRN
CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12	ZINC000059433369	195401788	/nfs/dbraw/zinc/40/17/88/195401788.db2.gz	WWTDWXUBCMMRJT-QQNJPBSNSA-N	0	0	458.901	5.209	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(CSc3nnc(COc4ccccc4)n3-c3ccccc3)c[nH]c2c1	ZINC000059459172	195402694	/nfs/dbraw/zinc/40/26/94/195402694.db2.gz	OCMSQCVBQXDVPU-UHFFFAOYSA-N	0	0	457.515	5.528	40	5		JKBBRN
O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Br)c1	ZINC000059463588	195403274	/nfs/dbraw/zinc/40/32/74/195403274.db2.gz	NJCJYZLXQWSVAL-UHFFFAOYSA-N	0	0	480.343	6.400	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1	ZINC000106684813	195457352	/nfs/dbraw/zinc/45/73/52/195457352.db2.gz	WRKZHFYFHPFYPT-JAIQZWGSSA-N	0	0	454.891	6.053	40	5		JKBBRN
O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106727507	195460958	/nfs/dbraw/zinc/46/09/58/195460958.db2.gz	XEISTCCGGFYGQU-IDUWFGFVSA-N	0	0	458.293	5.075	40	5		JKBBRN
O=C1S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000409382989	195516904	/nfs/dbraw/zinc/51/69/04/195516904.db2.gz	SMEPXHJEHODNLG-BNCCVWRVSA-N	0	0	477.281	5.245	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000409051456	195502202	/nfs/dbraw/zinc/50/22/02/195502202.db2.gz	AELIOGSPHSXXBS-UHFFFAOYSA-N	0	0	498.879	6.338	40	5		JKBBRN
COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC	ZINC000409051990	195503624	/nfs/dbraw/zinc/50/36/24/195503624.db2.gz	PGVCLMWWUYRMNP-UHFFFAOYSA-N	0	0	479.489	5.794	40	5		JKBBRN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccc(F)cc1	ZINC000095676429	129918652	/nfs/dbraw/zinc/91/86/52/129918652.db2.gz	VSRLISSDKRZTJE-UHFFFAOYSA-N	0	0	452.310	5.028	40	5		JKBBRN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1	ZINC000014920341	519825724	/nfs/dbraw/zinc/82/57/24/519825724.db2.gz	MUSCJXZNWNRCOK-XCIGCYOISA-N	0	0	470.549	9.486	40	5		JKBBRN
CCOP(=O)(OCC)c1c2ccccc2c(P(=O)(OCC)OCC)c2ccccc21	ZINC000016697704	520242286	/nfs/dbraw/zinc/24/22/86/520242286.db2.gz	AJEHGIBGTGZRJW-UHFFFAOYSA-N	0	0	450.408	5.776	40	5		JKBBRN
CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3ccccc3OC)cc([N+](=O)[O-])c2)cc1	ZINC000020176913	521180577	/nfs/dbraw/zinc/18/05/77/521180577.db2.gz	YNJPDUXGKVMJDO-UHFFFAOYSA-N	0	0	467.503	5.172	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022741487	521266514	/nfs/dbraw/zinc/26/65/14/521266514.db2.gz	ZARZDRFHFPFTHX-UHFFFAOYSA-N	0	0	484.343	6.230	40	5		JKBBRN
CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(Cl)c1	ZINC000020459527	521489046	/nfs/dbraw/zinc/48/90/46/521489046.db2.gz	QXPQSZWYMPZXJY-XSFVSMFZSA-N	0	0	450.878	5.604	40	5		JKBBRN
CC[C@H](c1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3ncn2n1)n1cc(Cl)cn1	ZINC000022532660	522979089	/nfs/dbraw/zinc/97/90/89/522979089.db2.gz	BPFKMYMNMIWLNL-SNVBAGLBSA-N	0	0	451.865	5.064	40	5		JKBBRN
Cc1ccccc1NCc1nnc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1-c1ccccc1	ZINC000020418897	525272416	/nfs/dbraw/zinc/27/24/16/525272416.db2.gz	SITCTUODZIEERF-UHFFFAOYSA-N	0	0	471.546	5.265	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3o2)cc1C	ZINC000032116511	525824495	/nfs/dbraw/zinc/82/44/95/525824495.db2.gz	SNMIZGZVNGPHAL-UHFFFAOYSA-N	0	0	491.485	5.055	40	5		JKBBRN
Cc1ccc(-c2nn(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)c(C)c1	ZINC000020357079	525837648	/nfs/dbraw/zinc/83/76/48/525837648.db2.gz	DXJCYACCJXETOE-UHFFFAOYSA-N	0	0	454.530	5.568	40	5		JKBBRN
O=C(CCSc1nnc(CCc2ccccc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000020522288	526546415	/nfs/dbraw/zinc/54/64/15/526546415.db2.gz	CNCHKZREMTXOAD-UHFFFAOYSA-N	0	0	473.558	5.082	40	5		JKBBRN
O=C1S/C(=C/c2ccn(-c3cccc([N+](=O)[O-])c3)c2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000022564690	527103149	/nfs/dbraw/zinc/10/31/49/527103149.db2.gz	SAWIHWGQRGRSIJ-UFWORHAWSA-N	0	0	457.870	5.415	40	5		JKBBRN
O=c1c2ccc3cccnc3c2c(OS(=O)(=O)c2ccccc2)c2ccc3ccc[nH]c3c21	ZINC000016491548	527262416	/nfs/dbraw/zinc/26/24/16/527262416.db2.gz	CAYNUHMGQZWJKW-UHFFFAOYSA-N	0	0	452.491	5.563	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Br)=C/c2ccccc2)cc1/C=C\c1ccccc1	ZINC000013406699	527339716	/nfs/dbraw/zinc/33/97/16/527339716.db2.gz	LYIOJFAVXFWPTG-WKLWQRMESA-N	0	0	451.276	6.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(/C=C/c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000068563478	527344455	/nfs/dbraw/zinc/34/44/55/527344455.db2.gz	CDSARYSJQNNQEW-KQQUZDAGSA-N	0	0	462.374	5.660	40	5		JKBBRN
O=C1NC(=S)SC1=Cc1ccc2ccc3ccc(C=C4SC(=S)NC4=O)nc3c2n1	ZINC000016431677	527514746	/nfs/dbraw/zinc/51/47/46/527514746.db2.gz	QWKRISTZMDUFJG-PVRNWPCDSA-N	0	0	466.594	5.441	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nnc(CNc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1	ZINC000000812997	553785352	/nfs/dbraw/zinc/78/53/52/553785352.db2.gz	FLIBELFBIQFCHD-UHFFFAOYSA-N	0	0	488.573	5.135	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1[N+](=O)[O-]	ZINC000000817529	553785602	/nfs/dbraw/zinc/78/56/02/553785602.db2.gz	IRPMALMBDIIREG-UHFFFAOYSA-N	0	0	474.300	5.805	40	5		JKBBRN
CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000000862091	553802742	/nfs/dbraw/zinc/80/27/42/553802742.db2.gz	YGURTESJLYEKPP-UHFFFAOYSA-N	0	0	459.531	5.330	40	5		JKBBRN
Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c(C)c1	ZINC000000868992	553807691	/nfs/dbraw/zinc/80/76/91/553807691.db2.gz	XZLUNSBEKCWSGK-UHFFFAOYSA-N	0	0	473.558	5.499	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)cc1[N+](=O)[O-]	ZINC000000869024	553807990	/nfs/dbraw/zinc/80/79/90/553807990.db2.gz	GCUKEXTVLKEMSW-UHFFFAOYSA-N	0	0	462.506	5.692	40	5		JKBBRN
O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1	ZINC000000869793	553808217	/nfs/dbraw/zinc/80/82/17/553808217.db2.gz	HKWTVDALEWYTEK-UHFFFAOYSA-N	0	0	478.402	5.259	40	5		JKBBRN
Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	ZINC000000888309	553826934	/nfs/dbraw/zinc/82/69/34/553826934.db2.gz	VHCSKOQVUZPPCV-KRWDZBQOSA-N	0	0	459.531	5.270	40	5		JKBBRN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@@H](C(Cl)(Cl)Cl)O[C@H]2C(Cl)(Cl)Cl	ZINC000001615451	553980446	/nfs/dbraw/zinc/98/04/46/553980446.db2.gz	FHFYDARLLMBMPK-HTQZYQBOSA-N	0	0	460.868	5.020	40	5		JKBBRN
O=C1c2ccccc2-c2ccc(N(Cc3ccc([N+](=O)[O-])cc3)Cc3ccc([N+](=O)[O-])cc3)cc21	ZINC000001608855	553980505	/nfs/dbraw/zinc/98/05/05/553980505.db2.gz	BVMBVRHQQQEODL-UHFFFAOYSA-N	0	0	465.465	5.921	40	5		JKBBRN
COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000001714439	553984580	/nfs/dbraw/zinc/98/45/80/553984580.db2.gz	LXHQHTVWJSTJGP-NXZHAISVSA-N	0	0	492.484	5.878	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1	ZINC000001839226	553994167	/nfs/dbraw/zinc/99/41/67/553994167.db2.gz	MYORSIDTRVKEDO-MZTACXPWSA-N	0	0	475.932	7.222	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccco1	ZINC000001848268	553995811	/nfs/dbraw/zinc/99/58/11/553995811.db2.gz	FDYFLDMYTXFGRZ-DEOSSOPVSA-N	0	0	470.437	5.221	40	5		JKBBRN
Cc1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000001864851	553998635	/nfs/dbraw/zinc/99/86/35/553998635.db2.gz	XGCFPXIHPBATRR-UHFFFAOYSA-N	0	0	456.323	5.212	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1	ZINC000001868332	553999823	/nfs/dbraw/zinc/99/98/23/553999823.db2.gz	CKKGUGCBRXICMS-ZDUSSCGKSA-N	0	0	484.339	7.476	40	5		JKBBRN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(-c2cc3ccccc3oc2=O)c1	ZINC000002400901	554185879	/nfs/dbraw/zinc/18/58/79/554185879.db2.gz	ZDXFAWQXTOAOTE-UHFFFAOYSA-N	0	0	469.478	5.744	40	5		JKBBRN
O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000002751240	554326394	/nfs/dbraw/zinc/32/63/94/554326394.db2.gz	YBCXWMUOVQRWNH-UHFFFAOYSA-N	0	0	474.299	7.564	40	5		JKBBRN
O=C(Oc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002774753	554338463	/nfs/dbraw/zinc/33/84/63/554338463.db2.gz	WAXHSLPLTWNASD-UHFFFAOYSA-N	0	0	492.447	5.999	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003012181	554423347	/nfs/dbraw/zinc/42/33/47/554423347.db2.gz	AAUKWQJZSQWLQS-UHFFFAOYSA-N	0	0	458.224	5.310	40	5		JKBBRN
Cc1csc(Sc2ccc(C(=O)OCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)cc2[N+](=O)[O-])n1	ZINC000003351903	554456925	/nfs/dbraw/zinc/45/69/25/554456925.db2.gz	BWSQTQSDIWBBJL-HJPURHCSSA-N	0	0	489.619	5.095	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000003769716	554470123	/nfs/dbraw/zinc/47/01/23/554470123.db2.gz	ZFGLJNHQPCNGNO-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000003769586	554470192	/nfs/dbraw/zinc/47/01/92/554470192.db2.gz	PKAYMRIUJYDICY-WSDLNYQXSA-N	0	0	498.919	6.203	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1	ZINC000004290541	554476586	/nfs/dbraw/zinc/47/65/86/554476586.db2.gz	PKZXTBOCXAYDKO-UHFFFAOYSA-N	0	0	466.824	7.461	40	5		JKBBRN
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1Nc1ccccc1	ZINC000005011545	554485363	/nfs/dbraw/zinc/48/53/63/554485363.db2.gz	DGIVRNUFUOYOIS-UHFFFAOYSA-N	0	0	490.497	5.823	40	5		JKBBRN
COc1ccc(/C=C\c2cc(/C=C\c3ccc(OC)c(O)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1O	ZINC000005080552	554486190	/nfs/dbraw/zinc/48/61/90/554486190.db2.gz	DDOVAKHEWGAJHA-VHOZIDCHSA-N	0	0	464.430	5.272	40	5		JKBBRN
COc1cc(/C=C\c2cc(/C=C\c3ccc(O)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000005080553	554486222	/nfs/dbraw/zinc/48/62/22/554486222.db2.gz	GKVKPJCQVGGHRF-VHOZIDCHSA-N	0	0	464.430	5.272	40	5		JKBBRN
COc1cc2oc3cc(=O)cc4oc(-c5ccccc5)cc(c43)c2c2c1CC[C@H](c1ccccc1)O2	ZINC000005618880	554492388	/nfs/dbraw/zinc/49/23/88/554492388.db2.gz	ZKOTWKIEVACBFM-HSZRJFAPSA-N	0	0	474.512	7.434	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000005949858	554498571	/nfs/dbraw/zinc/49/85/71/554498571.db2.gz	CWVAHIVNNNCRQM-SFHVURJKSA-N	0	0	484.556	6.769	40	5		JKBBRN
CCOc1ccc(-c2cc(-c3ccccc3)c3c(N)c(-c4ccc([N+](=O)[O-])cc4)sc3n2)cc1	ZINC000006090167	554504678	/nfs/dbraw/zinc/50/46/78/554504678.db2.gz	KQMDGVWJBBDGKJ-UHFFFAOYSA-N	0	0	467.550	7.186	40	5		JKBBRN
COc1ccc(-c2cc(-c3ccccc3)nc3sc(-c4ccccc4[N+](=O)[O-])c(N)c32)cc1	ZINC000006157203	554513333	/nfs/dbraw/zinc/51/33/33/554513333.db2.gz	ABQTWNDGHIWZEL-UHFFFAOYSA-N	0	0	453.523	6.796	40	5		JKBBRN
C[C@@H](Sc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000006177392	554515011	/nfs/dbraw/zinc/51/50/11/554515011.db2.gz	LCMQKVDAAHSPKE-CQSZACIVSA-N	0	0	480.937	5.010	40	5		JKBBRN
C[C@@H](Sc1nnc(C2CCCCC2)n1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000006177391	554515035	/nfs/dbraw/zinc/51/50/35/554515035.db2.gz	UCAVKFJTLNAAKP-OAHLLOKOSA-N	0	0	485.997	5.996	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c(C)c1	ZINC000006195316	554518287	/nfs/dbraw/zinc/51/82/87/554518287.db2.gz	JNHABAZTTKSCRU-UHFFFAOYSA-N	0	0	459.531	5.190	40	5		JKBBRN
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1	ZINC000006246621	554523161	/nfs/dbraw/zinc/52/31/61/554523161.db2.gz	DTPKWRCAYBLUOC-GOSISDBHSA-N	0	0	473.558	5.579	40	5		JKBBRN
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1	ZINC000006246609	554523241	/nfs/dbraw/zinc/52/32/41/554523241.db2.gz	DTPKWRCAYBLUOC-SFHVURJKSA-N	0	0	473.558	5.579	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N	ZINC000006280831	554525069	/nfs/dbraw/zinc/52/50/69/554525069.db2.gz	VDUMSRLVHGIOAQ-UHFFFAOYSA-N	0	0	480.549	6.681	40	5		JKBBRN
CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000006284326	554527058	/nfs/dbraw/zinc/52/70/58/554527058.db2.gz	FFXQZBQFKIUGOH-UHFFFAOYSA-N	0	0	456.502	5.818	40	5		JKBBRN
Cc1cccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)c1	ZINC000006442597	554536729	/nfs/dbraw/zinc/53/67/29/554536729.db2.gz	URQAFXRIIRNPLO-UHFFFAOYSA-N	0	0	488.573	5.135	40	5		JKBBRN
Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1	ZINC000006442726	554537058	/nfs/dbraw/zinc/53/70/58/554537058.db2.gz	COZLNLFHPQQGIS-GOSISDBHSA-N	0	0	489.557	5.182	40	5		JKBBRN
Cc1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1C	ZINC000006443211	554537192	/nfs/dbraw/zinc/53/71/92/554537192.db2.gz	SCGRPHHSMHFHBK-UHFFFAOYSA-N	0	0	459.531	5.190	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1nc2cc(-c3ccc4[nH]c(-c5ccccc5[N+](=O)[O-])nc4c3)ccc2[nH]1	ZINC000006446160	554540517	/nfs/dbraw/zinc/54/05/17/554540517.db2.gz	GPSAUQKAHONWDF-UHFFFAOYSA-N	0	0	476.452	6.257	40	5		JKBBRN
O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-]	ZINC000006446348	554540525	/nfs/dbraw/zinc/54/05/25/554540525.db2.gz	VEQWQLAPZPFRGP-UHFFFAOYSA-N	0	0	479.949	5.151	40	5		JKBBRN
O=C1c2cc(-c3[nH]c(-c4cccc(O)c4)nc3-c3ccccc3)ccc2-c2ccc([N+](=O)[O-])cc21	ZINC000006446764	554540983	/nfs/dbraw/zinc/54/09/83/554540983.db2.gz	QFURABKEHIJJNI-UHFFFAOYSA-N	0	0	459.461	6.236	40	5		JKBBRN
O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000006474703	554544327	/nfs/dbraw/zinc/54/43/27/554544327.db2.gz	PGNPWEAKGNTGNE-UHFFFAOYSA-N	0	0	495.948	5.139	40	5		JKBBRN
O=C(CSc1nnc(-c2cccc3ccccc32)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000006474723	554544545	/nfs/dbraw/zinc/54/45/45/554544545.db2.gz	JJGUFDIQOPIMCO-UHFFFAOYSA-N	0	0	481.537	5.727	40	5		JKBBRN
O=C(CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000006474803	554544556	/nfs/dbraw/zinc/54/45/56/554544556.db2.gz	BRZOAYULTOCENM-UHFFFAOYSA-N	0	0	494.964	5.172	40	5		JKBBRN
CCOc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000006600703	554555496	/nfs/dbraw/zinc/55/54/96/554555496.db2.gz	SZWONFPBJJTSOV-UHFFFAOYSA-N	0	0	484.481	5.262	40	5	aggregator	JKBBRN
CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2c1	ZINC000006844229	554558926	/nfs/dbraw/zinc/55/89/26/554558926.db2.gz	LPSORDXKRARRGT-UHFFFAOYSA-N	0	0	476.533	5.946	40	5		JKBBRN
COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc32)c([N+](=O)[O-])c1	ZINC000006924656	554562004	/nfs/dbraw/zinc/56/20/04/554562004.db2.gz	XTWKBMLWNFGICT-UHFFFAOYSA-N	0	0	464.478	5.084	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000008831360	554722067	/nfs/dbraw/zinc/72/20/67/554722067.db2.gz	YIUAOACYWBYAER-UHFFFAOYSA-N	0	0	469.828	5.654	40	5		JKBBRN
O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008831868	554724237	/nfs/dbraw/zinc/72/42/37/554724237.db2.gz	KCWFLJNTSSUEJU-UHFFFAOYSA-N	0	0	461.909	5.644	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1	ZINC000008831870	554724269	/nfs/dbraw/zinc/72/42/69/554724269.db2.gz	VQEFYMMGDYWTQI-UXBLZVDNSA-N	0	0	453.285	6.097	40	5		JKBBRN
Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c1	ZINC000008832084	554725044	/nfs/dbraw/zinc/72/50/44/554725044.db2.gz	WDPBYALMHUMOCJ-UHFFFAOYSA-N	0	0	456.502	5.872	40	5		JKBBRN
CCc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000008832079	554725047	/nfs/dbraw/zinc/72/50/47/554725047.db2.gz	RNEBAINHFPATEW-UHFFFAOYSA-N	0	0	472.501	5.054	40	5		JKBBRN
Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)c1	ZINC000008832094	554725055	/nfs/dbraw/zinc/72/50/55/554725055.db2.gz	PDVVOTDFTYECOJ-UHFFFAOYSA-N	0	0	453.454	6.532	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl	ZINC000008832279	554726116	/nfs/dbraw/zinc/72/61/16/554726116.db2.gz	GNHIDIVYZYFTKH-UHFFFAOYSA-N	0	0	452.121	6.151	40	5		JKBBRN
CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000008832869	554728625	/nfs/dbraw/zinc/72/86/25/554728625.db2.gz	SKVKEQOMIAYRHK-UHFFFAOYSA-N	0	0	473.938	5.638	40	5		JKBBRN
CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	ZINC000008832999	554729445	/nfs/dbraw/zinc/72/94/45/554729445.db2.gz	NKIDTGPNLITCCZ-UHFFFAOYSA-N	0	0	491.013	5.368	40	5		JKBBRN
CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-]	ZINC000008833366	554731010	/nfs/dbraw/zinc/73/10/10/554731010.db2.gz	RPSGHAAEMVYGKH-UHFFFAOYSA-N	0	0	495.948	5.317	40	5		JKBBRN
O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccccc1[N+](=O)[O-]	ZINC000008835462	554734593	/nfs/dbraw/zinc/73/45/93/554734593.db2.gz	KYFVAYSLCURGKH-UHFFFAOYSA-N	0	0	494.532	6.197	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Br)cc2)o1	ZINC000008895119	554784715	/nfs/dbraw/zinc/78/47/15/554784715.db2.gz	UAHVSQSDNLEZNF-UHFFFAOYSA-N	0	0	494.754	5.706	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1	ZINC000008900027	554791623	/nfs/dbraw/zinc/79/16/23/554791623.db2.gz	IYOYOHVGAIBKPI-VIZOYTHASA-N	0	0	495.922	7.375	40	5		JKBBRN
Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008900342	554792514	/nfs/dbraw/zinc/79/25/14/554792514.db2.gz	UGYCGJYGKRPAJV-UHFFFAOYSA-N	0	0	484.560	5.613	40	5		JKBBRN
Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008900528	554793174	/nfs/dbraw/zinc/79/31/74/554793174.db2.gz	RDQPXXHXFLCAEP-UHFFFAOYSA-N	0	0	492.539	5.643	40	5		JKBBRN
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1	ZINC000008901636	554795072	/nfs/dbraw/zinc/79/50/72/554795072.db2.gz	CETOIWKRHHKUAO-UHFFFAOYSA-N	0	0	496.951	5.065	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000008902514	554796322	/nfs/dbraw/zinc/79/63/22/554796322.db2.gz	GLUQXTDLFGKDJR-ZZXKWVIFSA-N	0	0	488.327	5.650	40	5		JKBBRN
CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1	ZINC000008903212	554797261	/nfs/dbraw/zinc/79/72/61/554797261.db2.gz	SSEBGMSGKQQYRY-UHFFFAOYSA-N	0	0	468.535	5.014	40	5		JKBBRN
CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)sc2c1	ZINC000008903251	554797278	/nfs/dbraw/zinc/79/72/78/554797278.db2.gz	ISNGZEGCUUUQKT-UHFFFAOYSA-N	0	0	479.514	5.982	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3nc4ccc(C(=O)OC(C)C)cc4s3)o2)c([N+](=O)[O-])c1	ZINC000008903710	554797686	/nfs/dbraw/zinc/79/76/86/554797686.db2.gz	LCECMXQUXOEXNK-UHFFFAOYSA-N	0	0	481.486	5.291	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccccc1C	ZINC000008989965	554851615	/nfs/dbraw/zinc/85/16/15/554851615.db2.gz	VOVPCPYVPHUYKJ-MTJSOVHGSA-N	0	0	492.915	5.879	40	5		JKBBRN
Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1NC(=O)c1ccccc1	ZINC000009056528	554874980	/nfs/dbraw/zinc/87/49/80/554874980.db2.gz	MUGKDTUXCZMKBK-UHFFFAOYSA-N	0	0	455.470	5.976	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	ZINC000009062446	554879929	/nfs/dbraw/zinc/87/99/29/554879929.db2.gz	ABBUXSIMIVWXGC-UHFFFAOYSA-N	0	0	479.905	5.271	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C	ZINC000009064620	554882896	/nfs/dbraw/zinc/88/28/96/554882896.db2.gz	LPVFNRWHYIQQHP-UHFFFAOYSA-N	0	0	464.330	5.905	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000009064621	554882928	/nfs/dbraw/zinc/88/29/28/554882928.db2.gz	WZJTZPSSVZDZPH-UHFFFAOYSA-N	0	0	466.302	5.297	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000009064622	554882953	/nfs/dbraw/zinc/88/29/53/554882953.db2.gz	KIDJVLSXNYQLNG-UHFFFAOYSA-N	0	0	450.303	5.597	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000009142348	554935445	/nfs/dbraw/zinc/93/54/45/554935445.db2.gz	DUTMQUSGYKJSII-UHFFFAOYSA-N	0	0	470.721	5.942	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)c([N+](=O)[O-])c1	ZINC000009200079	554971517	/nfs/dbraw/zinc/97/15/17/554971517.db2.gz	YYKSOBMAQMCMCG-UHFFFAOYSA-N	0	0	460.515	5.197	40	5		JKBBRN
O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21	ZINC000009636678	555344297	/nfs/dbraw/zinc/34/42/97/555344297.db2.gz	NVSRYIFVBUTHEE-ZJZGAYNASA-N	0	0	475.342	5.345	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013388531	555394102	/nfs/dbraw/zinc/39/41/02/555394102.db2.gz	QWMUXHQSQMVWOF-UHFFFAOYSA-N	0	0	481.530	5.181	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2)cc1/C=C(/Br)c1ccccc1	ZINC000013403291	555396288	/nfs/dbraw/zinc/39/62/88/555396288.db2.gz	IZUCMCYILUILLB-BUGXHRFLSA-N	0	0	451.276	6.566	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Br)c2ccccc2)cc1/C=C\c1ccccc1	ZINC000013403284	555396336	/nfs/dbraw/zinc/39/63/36/555396336.db2.gz	IZUCMCYILUILLB-PLPGPOEOSA-N	0	0	451.276	6.566	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2)sc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013424294	555398405	/nfs/dbraw/zinc/39/84/05/555398405.db2.gz	SWTOEBDRECGIRY-UHFFFAOYSA-N	0	0	487.921	5.218	40	5		JKBBRN
O=C(Oc1cccc2c(OC(=O)c3ccc([N+](=O)[O-])cc3)cccc12)c1ccc([N+](=O)[O-])cc1	ZINC000013452444	555400975	/nfs/dbraw/zinc/40/09/75/555400975.db2.gz	JNTCGGDXPYIDDQ-UHFFFAOYSA-N	0	0	458.382	5.095	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000013509766	555481764	/nfs/dbraw/zinc/48/17/64/555481764.db2.gz	ZHJHOSSLPRUSFO-UHFFFAOYSA-N	0	0	472.549	5.361	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000013509760	555481773	/nfs/dbraw/zinc/48/17/73/555481773.db2.gz	RBTCTHKDJLYMDT-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1ccccc1[N+](=O)[O-]	ZINC000013509731	555481842	/nfs/dbraw/zinc/48/18/42/555481842.db2.gz	HGWKNVASZCFCAB-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
COc1ccc(-c2nsc3c2ncnc3S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	ZINC000013510947	555482745	/nfs/dbraw/zinc/48/27/45/555482745.db2.gz	KBCBBLNRBUYWNW-ZDUSSCGKSA-N	0	0	481.559	5.098	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc21	ZINC000013510984	555482789	/nfs/dbraw/zinc/48/27/89/555482789.db2.gz	SCSSIEVWZOYATN-UHFFFAOYSA-N	0	0	487.950	5.054	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000013628664	555540563	/nfs/dbraw/zinc/54/05/63/555540563.db2.gz	DCEWMXCELNQXQE-UHFFFAOYSA-N	0	0	476.558	5.271	40	5		JKBBRN
O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000019928193	555543290	/nfs/dbraw/zinc/54/32/90/555543290.db2.gz	TYHUGHKHZOFQJK-UHFFFAOYSA-N	0	0	458.714	5.071	40	5		JKBBRN
COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1	ZINC000019929127	555545301	/nfs/dbraw/zinc/54/53/01/555545301.db2.gz	YUJUZMUASKBDFY-UHFFFAOYSA-N	0	0	489.724	5.344	40	5		JKBBRN
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000010042479	555606740	/nfs/dbraw/zinc/60/67/40/555606740.db2.gz	DNOMATYTXKRSOJ-UHFFFAOYSA-N	0	0	496.519	5.379	40	5		JKBBRN
O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000010120066	555631982	/nfs/dbraw/zinc/63/19/82/555631982.db2.gz	DSPYNJJIXIGHLQ-UHFFFAOYSA-N	0	0	463.902	6.447	40	5		JKBBRN
COc1cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc(OC)c1OC	ZINC000010120220	555632557	/nfs/dbraw/zinc/63/25/57/555632557.db2.gz	QNEBATJZDLFBIC-UHFFFAOYSA-N	0	0	483.864	5.335	40	5		JKBBRN
COc1cc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc(OC)c1OC	ZINC000010120217	555632585	/nfs/dbraw/zinc/63/25/85/555632585.db2.gz	RPQGFOJMVMVZPC-UHFFFAOYSA-N	0	0	483.864	5.335	40	5		JKBBRN
Cc1cc2nc(-c3ccc(CNC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3)oc2cc1C	ZINC000010120378	555633096	/nfs/dbraw/zinc/63/30/96/555633096.db2.gz	QSVYSSOZLPDJMY-UHFFFAOYSA-N	0	0	491.956	6.818	40	5		JKBBRN
Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2cc1C	ZINC000010120402	555633191	/nfs/dbraw/zinc/63/31/91/555633191.db2.gz	KGXKYASMJHODSH-UXBLZVDNSA-N	0	0	461.905	6.003	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)cc2[N+](=O)[O-])CC1	ZINC000020142658	555663535	/nfs/dbraw/zinc/66/35/35/555663535.db2.gz	GWJMOKWMBQGDEA-UHFFFAOYSA-N	0	0	469.925	5.489	40	5		JKBBRN
O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000020142804	555663841	/nfs/dbraw/zinc/66/38/41/555663841.db2.gz	VMWAPCVUCCZPIR-UHFFFAOYSA-N	0	0	455.898	5.243	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)o2)c([N+](=O)[O-])c1	ZINC000020151012	555667672	/nfs/dbraw/zinc/66/76/72/555667672.db2.gz	ZJTDRVZMAQYMGS-IZZDOVSWSA-N	0	0	478.888	6.221	40	5		JKBBRN
COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1-c1ccc(CO)o1	ZINC000020151057	555667990	/nfs/dbraw/zinc/66/79/90/555667990.db2.gz	FYDMEJBVUBATHN-KPKJPENVSA-N	0	0	474.469	5.576	40	5		JKBBRN
COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1-c1ccc(CO)o1	ZINC000020151015	555668002	/nfs/dbraw/zinc/66/80/02/555668002.db2.gz	QGTQVAGWIJIIPG-KPKJPENVSA-N	0	0	474.469	5.576	40	5		JKBBRN
Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1Cl	ZINC000014069897	555678335	/nfs/dbraw/zinc/67/83/35/555678335.db2.gz	ULZWSEZREZUDSS-UHFFFAOYSA-N	0	0	472.741	5.081	40	5		JKBBRN
CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)cc1	ZINC000020176905	555682621	/nfs/dbraw/zinc/68/26/21/555682621.db2.gz	DVTDYRDOWBRVQJ-UHFFFAOYSA-N	0	0	471.922	5.817	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc54)C3=O)o2)cc1[N+](=O)[O-]	ZINC000014132363	555699938	/nfs/dbraw/zinc/69/99/38/555699938.db2.gz	NJJDUGUUBQADOL-ZVHZXABRSA-N	0	0	470.506	6.553	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)ccc3o2)cc1Cl	ZINC000010372890	555700507	/nfs/dbraw/zinc/70/05/07/555700507.db2.gz	GTHXVJQXDQAKII-UHFFFAOYSA-N	0	0	491.931	6.516	40	5		JKBBRN
Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(-c2nc3ccccc3s2)c1O	ZINC000010372884	555700511	/nfs/dbraw/zinc/70/05/11/555700511.db2.gz	FJMLCRRRIZVQHA-UHFFFAOYSA-N	0	0	473.554	6.336	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000010372885	555700600	/nfs/dbraw/zinc/70/06/00/555700600.db2.gz	FSIJURRUMLVTMW-UHFFFAOYSA-N	0	0	473.554	6.331	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1	ZINC000014152900	555708816	/nfs/dbraw/zinc/70/88/16/555708816.db2.gz	RBCVFIHOWGVXOR-UHFFFAOYSA-N	0	0	478.452	5.118	40	5		JKBBRN
Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000014270487	555762836	/nfs/dbraw/zinc/76/28/36/555762836.db2.gz	FFDWTLUPEPKONS-UHFFFAOYSA-N	0	0	462.556	5.615	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	ZINC000014270499	555762858	/nfs/dbraw/zinc/76/28/58/555762858.db2.gz	ZJMKOZQXAIYGPZ-UHFFFAOYSA-N	0	0	468.947	5.652	40	5		JKBBRN
O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)c(Cl)c1	ZINC000014270852	555764137	/nfs/dbraw/zinc/76/41/37/555764137.db2.gz	FJVHSZYSFLDPDZ-UHFFFAOYSA-N	0	0	453.332	5.152	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	ZINC000014271012	555764642	/nfs/dbraw/zinc/76/46/42/555764642.db2.gz	YDLUPPWBYHLBIE-UHFFFAOYSA-N	0	0	466.302	5.297	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccccc2)cc1	ZINC000011196574	555766023	/nfs/dbraw/zinc/76/60/23/555766023.db2.gz	MUXAVAYAGJKINX-UHFFFAOYSA-N	0	0	459.531	5.190	40	5		JKBBRN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000014272330	555769619	/nfs/dbraw/zinc/76/96/19/555769619.db2.gz	IXPUHBQODKZAKX-UHFFFAOYSA-N	0	0	461.474	5.796	40	5		JKBBRN
Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O	ZINC000014273192	555772433	/nfs/dbraw/zinc/77/24/33/555772433.db2.gz	BXKKBJMEJMAWIM-YRNVUSSQSA-N	0	0	460.873	5.982	40	5		JKBBRN
O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014274388	555776479	/nfs/dbraw/zinc/77/64/79/555776479.db2.gz	YITLJXNVFMSBMA-UHFFFAOYSA-N	0	0	486.903	5.384	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000014274567	555777096	/nfs/dbraw/zinc/77/70/96/555777096.db2.gz	SBVPMXVOMFSBOO-RMKNXTFCSA-N	0	0	476.341	5.996	40	5		JKBBRN
Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1	ZINC000014274565	555777108	/nfs/dbraw/zinc/77/71/08/555777108.db2.gz	SVWWYAJKTATGJN-WEVVVXLNSA-N	0	0	476.341	5.996	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000014274582	555777377	/nfs/dbraw/zinc/77/73/77/555777377.db2.gz	TXQIGKSXDIDBFT-XBXARRHUSA-N	0	0	480.304	5.827	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000014274573	555777381	/nfs/dbraw/zinc/77/73/81/555777381.db2.gz	MFRVRZCPMFEUTL-WEVVVXLNSA-N	0	0	476.341	5.996	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014274989	555778978	/nfs/dbraw/zinc/77/89/78/555778978.db2.gz	BINRWQFIYGYBCH-ZZXKWVIFSA-N	0	0	496.759	6.341	40	5		JKBBRN
O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000014277412	555786012	/nfs/dbraw/zinc/78/60/12/555786012.db2.gz	RAAXHOINOXJUJL-UHFFFAOYSA-N	0	0	480.735	5.777	40	5		JKBBRN
Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1	ZINC000014277899	555787116	/nfs/dbraw/zinc/78/71/16/555787116.db2.gz	BZZMPHWXZZCEDA-UHFFFAOYSA-N	0	0	490.947	6.526	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1	ZINC000014277893	555787211	/nfs/dbraw/zinc/78/72/11/555787211.db2.gz	IYRQWMJCPXXXAV-UHFFFAOYSA-N	0	0	492.919	5.454	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1	ZINC000014277951	555787411	/nfs/dbraw/zinc/78/74/11/555787411.db2.gz	NMVVYBXGGKOHIE-KRWDZBQOSA-N	0	0	481.508	7.429	40	5		JKBBRN
Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1	ZINC000014278078	555787706	/nfs/dbraw/zinc/78/77/06/555787706.db2.gz	VEIULFSQXMSXJF-UHFFFAOYSA-N	0	0	486.528	5.417	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000020410839	555787783	/nfs/dbraw/zinc/78/77/83/555787783.db2.gz	KJHJAJGVDZAHHF-XBXARRHUSA-N	0	0	488.327	5.650	40	5		JKBBRN
Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1Cl	ZINC000014278171	555787953	/nfs/dbraw/zinc/78/79/53/555787953.db2.gz	UWWJKXRNLMKUHC-UHFFFAOYSA-N	0	0	486.764	6.313	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl	ZINC000014278341	555788262	/nfs/dbraw/zinc/78/82/62/555788262.db2.gz	ZDJAVBWOEQPBJE-UHFFFAOYSA-N	0	0	476.920	6.217	40	5		JKBBRN
Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014278498	555788825	/nfs/dbraw/zinc/78/88/25/555788825.db2.gz	BVLWGUGRQXGNEW-UHFFFAOYSA-N	0	0	481.512	6.273	40	5		JKBBRN
COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-]	ZINC000020529051	555793720	/nfs/dbraw/zinc/79/37/20/555793720.db2.gz	VFQSYVKXVVNOTN-SOFGYWHQSA-N	0	0	478.244	5.730	40	5		JKBBRN
Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)s1	ZINC000014358547	555797613	/nfs/dbraw/zinc/79/76/13/555797613.db2.gz	DECDGFMLVQVMBT-UHFFFAOYSA-N	0	0	476.605	6.871	40	5		JKBBRN
CC(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000020550256	555807038	/nfs/dbraw/zinc/80/70/38/555807038.db2.gz	PCXHILDFDRITMU-DEOSSOPVSA-N	0	0	464.363	6.836	40	5		JKBBRN
CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C	ZINC000014405630	555808272	/nfs/dbraw/zinc/80/82/72/555808272.db2.gz	VFPZTCMKAPWJEN-BUHFOSPRSA-N	0	0	461.522	5.112	40	5		JKBBRN
Cc1cc(C)c2c(n1)sc1c2nc(-c2cn(C)c3ccccc23)c2c(=O)oc3ccc(O)cc3c12	ZINC000011865381	555839880	/nfs/dbraw/zinc/83/98/80/555839880.db2.gz	CEFLZJYBGUDYJL-UHFFFAOYSA-N	0	0	477.545	6.585	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000021580529	555852517	/nfs/dbraw/zinc/85/25/17/555852517.db2.gz	NJDPWKBWTGPPRD-UHFFFAOYSA-N	0	0	478.917	6.267	40	5		JKBBRN
CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1Cl	ZINC000021595337	555853290	/nfs/dbraw/zinc/85/32/90/555853290.db2.gz	NWTTXPKZYBNJSJ-UHFFFAOYSA-N	0	0	497.960	6.504	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1C	ZINC000021595853	555853861	/nfs/dbraw/zinc/85/38/61/555853861.db2.gz	UGWZUWKAMARVEQ-SDNWHVSQSA-N	0	0	479.492	6.932	40	5		JKBBRN
CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1C	ZINC000022009790	555861543	/nfs/dbraw/zinc/86/15/43/555861543.db2.gz	BOHNOZPMQNEFTF-UHFFFAOYSA-N	0	0	480.575	5.036	40	5		JKBBRN
COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1	ZINC000022108232	555875289	/nfs/dbraw/zinc/87/52/89/555875289.db2.gz	WJBNWJGIKUVPFI-BKJLSBSTSA-N	0	0	478.504	5.027	40	5		JKBBRN
CCc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1	ZINC000015134687	555879727	/nfs/dbraw/zinc/87/97/27/555879727.db2.gz	IRRPFXKRBHSXMR-JOCHJYFZSA-N	0	0	453.336	6.346	40	5		JKBBRN
CO/N=C(/C)[C@@H]1[C@H]([C@H](C)[N+](=O)[O-])C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000015134433	555879756	/nfs/dbraw/zinc/87/97/56/555879756.db2.gz	HMHVRHXNTPHLFZ-WOMMWWHSSA-N	0	0	460.615	5.411	40	5		JKBBRN
CCc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1	ZINC000015134689	555879806	/nfs/dbraw/zinc/87/98/06/555879806.db2.gz	IRRPFXKRBHSXMR-QFIPXVFZSA-N	0	0	453.336	6.346	40	5		JKBBRN
O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000015303433	555894037	/nfs/dbraw/zinc/89/40/37/555894037.db2.gz	YLQZSGHZOSKFIK-UHFFFAOYSA-N	0	0	477.361	5.407	40	5		JKBBRN
CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000015304553	555894328	/nfs/dbraw/zinc/89/43/28/555894328.db2.gz	UESNLMFVLGOABL-FYJGNVAPSA-N	0	0	478.888	5.570	40	5		JKBBRN
O=C(Nc1cc(Cl)ccc1Oc1ccccc1F)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1	ZINC000015303890	555894333	/nfs/dbraw/zinc/89/43/33/555894333.db2.gz	LCAUOVOIKGCRCP-UHFFFAOYSA-N	0	0	494.931	7.583	40	5		JKBBRN
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)cc2)o1	ZINC000022566016	555936210	/nfs/dbraw/zinc/93/62/10/555936210.db2.gz	NQGNXXYCTAASDK-UHFFFAOYSA-N	0	0	458.908	5.245	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000022567615	555936645	/nfs/dbraw/zinc/93/66/45/555936645.db2.gz	GJYJMMUOTXRBPV-XBXARRHUSA-N	0	0	460.298	6.423	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000022571758	555937707	/nfs/dbraw/zinc/93/77/07/555937707.db2.gz	DLUDOGDWTGPEON-UHFFFAOYSA-N	0	0	463.273	5.518	40	5		JKBBRN
O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1S2	ZINC000022572906	555938093	/nfs/dbraw/zinc/93/80/93/555938093.db2.gz	WVYMMABOWVFYNN-HXUWFJFHSA-N	0	0	463.902	5.335	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1	ZINC000022710570	555945764	/nfs/dbraw/zinc/94/57/64/555945764.db2.gz	AVKGYMPNQKEBPG-HNNXBMFYSA-N	0	0	474.542	6.043	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1	ZINC000022714131	555946830	/nfs/dbraw/zinc/94/68/30/555946830.db2.gz	IFLBWWJFQIUMJL-RIYZIHGNSA-N	0	0	477.948	6.450	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)cc1	ZINC000022740658	555948989	/nfs/dbraw/zinc/94/89/89/555948989.db2.gz	YTCFMTSYCZEAIN-UHFFFAOYSA-N	0	0	483.524	6.657	40	5		JKBBRN
CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1	ZINC000022743997	555950172	/nfs/dbraw/zinc/95/01/72/555950172.db2.gz	NTAGSWXHNHMZJV-UHFFFAOYSA-N	0	0	486.528	5.615	40	5		JKBBRN
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2c(Br)cccc12	ZINC000022745059	555950440	/nfs/dbraw/zinc/95/04/40/555950440.db2.gz	NNGYBMOIVQGBPF-UHFFFAOYSA-N	0	0	487.360	5.247	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000022745048	555950445	/nfs/dbraw/zinc/95/04/45/555950445.db2.gz	BSZMJAYVQNDKHP-UHFFFAOYSA-N	0	0	487.339	6.234	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000022745035	555950453	/nfs/dbraw/zinc/95/04/53/555950453.db2.gz	DOQUZIDKBVOZLT-UHFFFAOYSA-N	0	0	487.339	6.234	40	5		JKBBRN
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000012318975	555951131	/nfs/dbraw/zinc/95/11/31/555951131.db2.gz	WKFVJEUYHNQGMM-IQOKHDRSSA-N	0	0	467.518	5.252	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1	ZINC000022746474	555951463	/nfs/dbraw/zinc/95/14/63/555951463.db2.gz	FAZYJPFBDWTHPD-HNNXBMFYSA-N	0	0	488.569	6.352	40	5		JKBBRN
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000022751531	555952642	/nfs/dbraw/zinc/95/26/42/555952642.db2.gz	QNAMKNFVENVBHI-UHFFFAOYSA-N	0	0	493.353	5.898	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022753186	555953077	/nfs/dbraw/zinc/95/30/77/555953077.db2.gz	LCWTYYSANFVKPX-UHFFFAOYSA-N	0	0	494.507	5.645	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000022757654	555954413	/nfs/dbraw/zinc/95/44/13/555954413.db2.gz	LHBCTMXQPQWFTQ-UHFFFAOYSA-N	0	0	497.338	6.562	40	5		JKBBRN
CC1(COC(=O)N2CCC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2-c2ccccc21	ZINC000012402526	555976494	/nfs/dbraw/zinc/97/64/94/555976494.db2.gz	PFPQPFZIKBLXLW-DEOSSOPVSA-N	0	0	471.513	5.121	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C(C)(C)C)C3	ZINC000012469613	555981987	/nfs/dbraw/zinc/98/19/87/555981987.db2.gz	UHIPUGGRHKHVCI-CQSZACIVSA-N	0	0	470.620	5.790	40	5		JKBBRN
Cn1c2ccccc2s/c1=N/C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1	ZINC000012546678	556022936	/nfs/dbraw/zinc/02/29/36/556022936.db2.gz	UTPWLDDGDZTAGO-BYYHNAKLSA-N	0	0	486.597	5.348	40	5		JKBBRN
O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-]	ZINC000023430064	556055432	/nfs/dbraw/zinc/05/54/32/556055432.db2.gz	OGFYMLMDCCBKCT-UHFFFAOYSA-N	0	0	479.949	5.151	40	5		JKBBRN
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000012844611	556117503	/nfs/dbraw/zinc/11/75/03/556117503.db2.gz	HINHXKDKGSJSKQ-LLVKDONJSA-N	0	0	482.871	5.843	40	5		JKBBRN
CCc1cc(I)ccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000016161270	556127095	/nfs/dbraw/zinc/12/70/95/556127095.db2.gz	IFUQEURWGOGIBN-UHFFFAOYSA-N	0	0	462.243	5.274	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)o1	ZINC000016215052	556129627	/nfs/dbraw/zinc/12/96/27/556129627.db2.gz	BZROJLCYPDRAQC-UHFFFAOYSA-N	0	0	456.414	5.319	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1Br	ZINC000016226755	556130252	/nfs/dbraw/zinc/13/02/52/556130252.db2.gz	LEGVDAZJAWRQNW-UHFFFAOYSA-N	0	0	468.263	5.426	40	5		JKBBRN
Cc1c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cccc1[N+](=O)[O-]	ZINC000016250136	556131326	/nfs/dbraw/zinc/13/13/26/556131326.db2.gz	ASFYLACCXGOYOI-UHFFFAOYSA-N	0	0	464.528	5.012	40	5		JKBBRN
Cc1c(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C(C)(C)C)cc4)nc3c2)cccc1[N+](=O)[O-]	ZINC000016250151	556131352	/nfs/dbraw/zinc/13/13/52/556131352.db2.gz	PKQAKXBTSVHVJU-UHFFFAOYSA-N	0	0	488.573	5.061	40	5		JKBBRN
Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3Cl)oc2c(C)c1	ZINC000016268725	556131611	/nfs/dbraw/zinc/13/16/11/556131611.db2.gz	FYVWFXHWOMSHFK-UHFFFAOYSA-N	0	0	494.960	6.108	40	5		JKBBRN
Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl	ZINC000016284229	556132697	/nfs/dbraw/zinc/13/26/97/556132697.db2.gz	PKLWDWZHMNFRLK-HWKANZROSA-N	0	0	467.359	5.346	40	5		JKBBRN
CCOC(=O)c1ccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000024522769	556133601	/nfs/dbraw/zinc/13/36/01/556133601.db2.gz	QEFHOSIHQLCKBC-NTCAYCPXSA-N	0	0	455.470	5.464	40	5		JKBBRN
Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)CC2=O)cc1	ZINC000016292907	556133851	/nfs/dbraw/zinc/13/38/51/556133851.db2.gz	HOYWOQPDBJTLCT-SFHVURJKSA-N	0	0	480.904	5.445	40	5		JKBBRN
COC(=O)c1cc(Sc2ccccc2[N+](=O)[O-])cc(NC(C)=O)c1Sc1ccccc1[N+](=O)[O-]	ZINC000016321143	556134914	/nfs/dbraw/zinc/13/49/14/556134914.db2.gz	CGCWGIPJMLFZAB-UHFFFAOYSA-N	0	0	499.526	5.550	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)cc1	ZINC000016323143	556135404	/nfs/dbraw/zinc/13/54/04/556135404.db2.gz	LERRFBYKZDYYOQ-UHFFFAOYSA-N	0	0	451.910	6.050	40	5		JKBBRN
Cc1ccc(NC(=O)OCc2cccc([N+](=O)[O-])c2)cc1NC(=O)OCc1cccc([N+](=O)[O-])c1	ZINC000016347550	556135973	/nfs/dbraw/zinc/13/59/73/556135973.db2.gz	GTXXUMAGCMZITQ-UHFFFAOYSA-N	0	0	480.433	5.309	40	5		JKBBRN
O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000016399977	556137770	/nfs/dbraw/zinc/13/77/70/556137770.db2.gz	XGCAWWDEPMMCOQ-UHFFFAOYSA-N	0	0	485.481	5.185	40	5		JKBBRN
O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)sc2Nc2ccc(Cl)cc2)cc1	ZINC000016493384	556141536	/nfs/dbraw/zinc/14/15/36/556141536.db2.gz	GLNRPNRMWWWTIP-UHFFFAOYSA-N	0	0	453.976	7.408	40	5		JKBBRN
CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1	ZINC000016575993	556145000	/nfs/dbraw/zinc/14/50/00/556145000.db2.gz	DOQQEQNCXQSJJO-UHFFFAOYSA-N	0	0	460.515	5.653	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1	ZINC000016610758	556146653	/nfs/dbraw/zinc/14/66/53/556146653.db2.gz	PBTNOTZJXFKAIG-CQSZACIVSA-N	0	0	460.446	6.077	40	5		JKBBRN
CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000016611481	556148057	/nfs/dbraw/zinc/14/80/57/556148057.db2.gz	WMMXFSVJARKOOK-XLHSGLJYSA-N	0	0	492.531	5.310	40	5		JKBBRN
CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1	ZINC000016682604	556151138	/nfs/dbraw/zinc/15/11/38/556151138.db2.gz	XGWLITKRTBMLBC-JOCHJYFZSA-N	0	0	485.327	5.804	40	5		JKBBRN
CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1	ZINC000016682603	556151185	/nfs/dbraw/zinc/15/11/85/556151185.db2.gz	XGWLITKRTBMLBC-QFIPXVFZSA-N	0	0	485.327	5.804	40	5		JKBBRN
CCO[P@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1	ZINC000016688043	556151763	/nfs/dbraw/zinc/15/17/63/556151763.db2.gz	SIAZUKNREOTDBD-RIPCNWKXSA-N	0	0	480.417	5.741	40	5		JKBBRN
CCO[P@@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1	ZINC000016688042	556151838	/nfs/dbraw/zinc/15/18/38/556151838.db2.gz	SIAZUKNREOTDBD-GMWXTNTRSA-N	0	0	480.417	5.741	40	5		JKBBRN
CCOC(=O)c1ccc(-c2ccc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)cc1	ZINC000016687897	556151850	/nfs/dbraw/zinc/15/18/50/556151850.db2.gz	ZGQGIMCCAAMXQE-UHFFFAOYSA-N	0	0	474.263	5.151	40	5		JKBBRN
CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1	ZINC000016691983	556153427	/nfs/dbraw/zinc/15/34/27/556153427.db2.gz	XAMMNIYJZQEUEI-UHFFFAOYSA-N	0	0	496.932	5.582	40	5		JKBBRN
CCOc1ccc(C(=O)NC(=S)N(c2ccccc2)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000016692987	556153688	/nfs/dbraw/zinc/15/36/88/556153688.db2.gz	GMJGCYZIZMICIG-UHFFFAOYSA-N	0	0	471.538	6.000	40	5		JKBBRN
CC(C)(C)[C@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1	ZINC000017253642	556248337	/nfs/dbraw/zinc/24/83/37/556248337.db2.gz	DZQLBFSYEPOYJZ-NIQVJZJISA-N	0	0	471.557	5.909	40	5		JKBBRN
Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000026124197	556249741	/nfs/dbraw/zinc/24/97/41/556249741.db2.gz	YCNRPUVWOMZRRI-WYMLVPIESA-N	0	0	465.469	5.549	40	5		JKBBRN
Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)Nc4nc5c(s4)CCCC5)c3cc2c1	ZINC000013086146	556285896	/nfs/dbraw/zinc/28/58/96/556285896.db2.gz	BLPRWAJFASAEPA-UHFFFAOYSA-N	0	0	491.667	6.076	40	5		JKBBRN
Cc1cc(C)c2cc3c(nc2c1)sc1c3ncnc1SCC(=O)N1c2ccccc2C[C@@H]1C	ZINC000013086133	556285915	/nfs/dbraw/zinc/28/59/15/556285915.db2.gz	UQKDWTUFJJQMQP-INIZCTEOSA-N	0	0	470.623	6.079	40	5		JKBBRN
COc1cc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1	ZINC000027563708	556297066	/nfs/dbraw/zinc/29/70/66/556297066.db2.gz	JZWOVKKPONTVHL-DHZHZOJOSA-N	0	0	497.345	5.905	40	5		JKBBRN
CN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(F)cc1	ZINC000028209154	556320102	/nfs/dbraw/zinc/32/01/02/556320102.db2.gz	XMVPUMXVHDLKTO-UHFFFAOYSA-N	0	0	485.518	5.026	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C(F)(F)F)c1	ZINC000019690510	556360340	/nfs/dbraw/zinc/36/03/40/556360340.db2.gz	WOZGJUVZJMLJOZ-UHFFFAOYSA-N	0	0	497.351	6.137	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000032115076	556422160	/nfs/dbraw/zinc/42/21/60/556422160.db2.gz	MTLFEEGMQVMXOO-UHFFFAOYSA-N	0	0	464.211	6.240	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1C	ZINC000032116583	556424326	/nfs/dbraw/zinc/42/43/26/556424326.db2.gz	YWXQXLLVXNGVKI-UHFFFAOYSA-N	0	0	460.515	5.455	40	5		JKBBRN
CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1	ZINC000032119214	556426053	/nfs/dbraw/zinc/42/60/53/556426053.db2.gz	XNAJTSXIRFOMAN-UHFFFAOYSA-N	0	0	480.571	5.934	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	ZINC000032124578	556427238	/nfs/dbraw/zinc/42/72/38/556427238.db2.gz	QPYBAMLPSVAVRQ-DEDYPNTBSA-N	0	0	468.943	6.640	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124621	556427369	/nfs/dbraw/zinc/42/73/69/556427369.db2.gz	YPZURCGIMIYYSB-XKZIYDEJSA-N	0	0	480.542	6.430	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)OC(C)C)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124667	556427434	/nfs/dbraw/zinc/42/74/34/556427434.db2.gz	OSDUXJWRCVBZAJ-ODLFYWEKSA-N	0	0	472.544	5.042	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124915	556428154	/nfs/dbraw/zinc/42/81/54/556428154.db2.gz	GZPFGVJJQRAERY-FYJGNVAPSA-N	0	0	482.970	6.949	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)OCC(C)C)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124921	556428158	/nfs/dbraw/zinc/42/81/58/556428158.db2.gz	YPVYQZKJIISXRJ-JAIQZWGSSA-N	0	0	486.571	5.290	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124973	556428329	/nfs/dbraw/zinc/42/83/29/556428329.db2.gz	JJPXHGWQPMJXFW-XKZIYDEJSA-N	0	0	496.997	6.944	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1	ZINC000032126549	556430596	/nfs/dbraw/zinc/43/05/96/556430596.db2.gz	VHWYIEGJZYCYIO-UKTHLTGXSA-N	0	0	469.884	6.862	40	5		JKBBRN
O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000032126842	556431202	/nfs/dbraw/zinc/43/12/02/556431202.db2.gz	FBWLXRCFJIAKNU-UHFFFAOYSA-N	0	0	493.353	5.898	40	5		JKBBRN
CCOc1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1[N+](=O)[O-]	ZINC000032127351	556431784	/nfs/dbraw/zinc/43/17/84/556431784.db2.gz	FBSDYUQFAVVKER-UHFFFAOYSA-N	0	0	471.347	5.037	40	5		JKBBRN
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1	ZINC000032597711	556449400	/nfs/dbraw/zinc/44/94/00/556449400.db2.gz	ZRYQTJAWONUMGQ-WLJFKGHSSA-N	0	0	457.338	6.721	40	5		JKBBRN
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000032699054	556472037	/nfs/dbraw/zinc/47/20/37/556472037.db2.gz	XETCNYWEDMQXPC-UHFFFAOYSA-N	0	0	458.805	5.048	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCOCC1)/C(=C\COc1ccc3ccccc3c1Br)O2	ZINC000032931802	556546888	/nfs/dbraw/zinc/54/68/88/556546888.db2.gz	ZTMQNHWQGYRVGS-KZRDGKHBSA-N	0	0	497.345	5.239	40	5		JKBBRN
O=[N+]([O-])/C=C/c1cn(CCCCCCCCn2cc(/C=C\[N+](=O)[O-])c3ccccc32)c2ccccc12	ZINC000008651985	569592555	/nfs/dbraw/zinc/59/25/55/569592555.db2.gz	AOHDCEYPGMZIKQ-VBGLAJCLSA-N	0	0	486.572	7.132	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1	ZINC000057312852	569596325	/nfs/dbraw/zinc/59/63/25/569596325.db2.gz	FYHRCGPEQWFWNO-JQIJEIRASA-N	0	0	450.454	6.050	40	5		JKBBRN
COc1ccc(-c2csc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1OC	ZINC000057313700	569596725	/nfs/dbraw/zinc/59/67/25/569596725.db2.gz	YCAGBWSJFUDQTQ-UHFFFAOYSA-N	0	0	482.562	5.224	40	5		JKBBRN
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1	ZINC000057313610	569596726	/nfs/dbraw/zinc/59/67/26/569596726.db2.gz	DLHXXQWMDQRASX-UHFFFAOYSA-N	0	0	452.319	6.107	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1	ZINC000057313774	569596856	/nfs/dbraw/zinc/59/68/56/569596856.db2.gz	JKCMPZQJPFAGOE-UHFFFAOYSA-N	0	0	462.506	5.237	40	5		JKBBRN
CCc1ccc(-n2nc3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1	ZINC000057315702	569597158	/nfs/dbraw/zinc/59/71/58/569597158.db2.gz	AAGRWARROVEACU-UHFFFAOYSA-N	0	0	477.933	6.012	40	5		JKBBRN
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1	ZINC000057316098	569597504	/nfs/dbraw/zinc/59/75/04/569597504.db2.gz	NYQARHRUWFJZTD-NRMKIYEFSA-N	0	0	493.585	5.818	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000059294482	569602634	/nfs/dbraw/zinc/60/26/34/569602634.db2.gz	JFRXSVJTXOPZIT-UHFFFAOYSA-N	0	0	467.865	6.663	40	5		JKBBRN
CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12	ZINC000059433373	569603782	/nfs/dbraw/zinc/60/37/82/569603782.db2.gz	WWTDWXUBCMMRJT-VUUXHMSQSA-N	0	0	458.901	5.209	40	5		JKBBRN
O=C(Nc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1)c1ccccc1[N+](=O)[O-]	ZINC000059461297	569604217	/nfs/dbraw/zinc/60/42/17/569604217.db2.gz	JAWWNAXSPQHHHZ-UHFFFAOYSA-N	0	0	490.393	7.056	40	5		JKBBRN
Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000059463637	569604306	/nfs/dbraw/zinc/60/43/06/569604306.db2.gz	KCTHBJOKGFFXFS-UHFFFAOYSA-N	0	0	485.609	7.552	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000059463618	569604333	/nfs/dbraw/zinc/60/43/33/569604333.db2.gz	TYDWPPGJYNODDP-UHFFFAOYSA-N	0	0	480.889	6.199	40	5		JKBBRN
O=c1c2ccccc2nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1Cc1ccccc1	ZINC000059474512	569604503	/nfs/dbraw/zinc/60/45/03/569604503.db2.gz	MSQCCSXZWFQXFD-UHFFFAOYSA-N	0	0	457.433	5.523	40	5		JKBBRN
O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000059474818	569604561	/nfs/dbraw/zinc/60/45/61/569604561.db2.gz	LHVYIWAZNZZAFZ-AWNIVKPZSA-N	0	0	490.566	5.587	40	5		JKBBRN
CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1	ZINC000059482982	569604819	/nfs/dbraw/zinc/60/48/19/569604819.db2.gz	PLVSDXYDRVMCDY-HSZRJFAPSA-N	0	0	474.502	5.444	40	5		JKBBRN
CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)[C@H]5CCCC[C@H]5N4)cc3[N+](=O)[O-])sc2c1	ZINC000059488082	569605398	/nfs/dbraw/zinc/60/53/98/569605398.db2.gz	JLCWXXGKLDNDHR-MRUHUIDDSA-N	0	0	484.603	5.031	40	5		JKBBRN
CC(C)(C)c1ccc(-c2nnc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)n2-c2ccccc2)cc1	ZINC000059489573	569605736	/nfs/dbraw/zinc/60/57/36/569605736.db2.gz	HPSXLBFACGRRDT-UHFFFAOYSA-N	0	0	483.597	6.914	40	5		JKBBRN
CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccc(Cl)cc1	ZINC000059490041	569605971	/nfs/dbraw/zinc/60/59/71/569605971.db2.gz	CVLLSLJSDOXOFD-VWLOTQADSA-N	0	0	460.018	6.288	40	5		JKBBRN
O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000059559198	569606921	/nfs/dbraw/zinc/60/69/21/569606921.db2.gz	PKNOPSJOGMZVEU-UHFFFAOYSA-N	0	0	485.371	5.476	40	5		JKBBRN
c1cc2ccc3c4ccc5ccc6ccc7ccc8c9ccc%10ccc1c1c2c3c(c9c%101)c1c4c5c6c7c81	ZINC000064624956	569623651	/nfs/dbraw/zinc/62/36/51/569623651.db2.gz	BEWSIRCXMVBNRU-UHFFFAOYSA-N	0	0	472.546	10.999	40	5	in-vitro	JKBBRN
CCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1	ZINC000033458511	569626628	/nfs/dbraw/zinc/62/66/28/569626628.db2.gz	ALWNQIKOYCXVSL-UHFFFAOYSA-N	0	0	469.877	5.266	40	5		JKBBRN
COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl	ZINC000033535053	569627565	/nfs/dbraw/zinc/62/75/65/569627565.db2.gz	NDAMTPFISXUMML-UHFFFAOYSA-N	0	0	489.875	5.503	40	5		JKBBRN
c1ccc2c(c1)nc1ccccc1c2CCCCCCCc1c2ccccc2nc2ccccc21	ZINC000034497989	569640209	/nfs/dbraw/zinc/64/02/09/569640209.db2.gz	YDTZWEXADJYOBJ-UHFFFAOYSA-N	0	0	454.617	8.825	40	5		JKBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Br)cc2)nc2ccccc21	ZINC000034715904	569651661	/nfs/dbraw/zinc/65/16/61/569651661.db2.gz	OMIHORXCNDVUGO-UHFFFAOYSA-N	0	0	463.287	5.930	40	5		JKBBRN
C[C@H](NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C12CC3CC(CC(C3)C1)C2	ZINC000035200733	569678169	/nfs/dbraw/zinc/67/81/69/569678169.db2.gz	RATGRQCAHPTIEE-IOAHRDFVSA-N	0	0	453.564	5.064	40	5		JKBBRN
O=[N+]([O-])c1ccc(/C=C\c2ccc(/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000068563475	569691247	/nfs/dbraw/zinc/69/12/47/569691247.db2.gz	CDSARYSJQNNQEW-SFECMWDFSA-N	0	0	462.374	5.660	40	5		JKBBRN
CC1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229235	569700611	/nfs/dbraw/zinc/70/06/11/569700611.db2.gz	MZXASMGGTCVLRM-UHFFFAOYSA-N	0	0	452.736	5.499	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1	ZINC000072229936	569700744	/nfs/dbraw/zinc/70/07/44/569700744.db2.gz	BRISWFRWXANROV-DEOSSOPVSA-N	0	0	478.888	5.851	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000072229906	569700766	/nfs/dbraw/zinc/70/07/66/569700766.db2.gz	DFRVHDXFAURFPZ-LJQANCHMSA-N	0	0	473.337	6.450	40	5		JKBBRN
CCOc1cc(C=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000035657389	569706142	/nfs/dbraw/zinc/70/61/42/569706142.db2.gz	QRGXAMWTKJGJTQ-UHFFFAOYSA-N	0	0	481.164	5.222	40	5		JKBBRN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21	ZINC000035855306	569716973	/nfs/dbraw/zinc/71/69/73/569716973.db2.gz	LTUBORRLMJGHQI-CBUXHAPBSA-N	0	0	499.592	5.030	40	5		JKBBRN
CCCCc1ccc(NC2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(CCCC)cc3)C2=O)cc1	ZINC000100144171	569753773	/nfs/dbraw/zinc/75/37/73/569753773.db2.gz	NELLOWWVGCNFIB-LJAQVGFWSA-N	0	0	483.612	7.364	40	5		JKBBRN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21	ZINC000036316844	569763466	/nfs/dbraw/zinc/76/34/66/569763466.db2.gz	LTUBORRLMJGHQI-GFXAMXPBSA-N	0	0	499.592	5.030	40	5		JKBBRN
O=C(NC[C@H]1CC[C@H](C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)CC1)OCc1ccccc1	ZINC000100763584	569769128	/nfs/dbraw/zinc/76/91/28/569769128.db2.gz	MFFYGKRAHKYJFV-TYKWCNGQSA-N	0	0	485.536	5.584	40	5		JKBBRN
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101147922	569784664	/nfs/dbraw/zinc/78/46/64/569784664.db2.gz	TZGJHJKWADXIOC-GSDHBNRESA-N	0	0	479.492	5.108	40	5		JKBBRN
Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c(C)c1	ZINC000101239991	569787940	/nfs/dbraw/zinc/78/79/40/569787940.db2.gz	XRNUNXKWWYCCAH-ZRBLBEILSA-N	0	0	495.894	5.055	40	5		JKBBRN
O=[N+]([O-])c1ccccc1NCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1	ZINC000101375727	569795193	/nfs/dbraw/zinc/79/51/93/569795193.db2.gz	QKFHVYHQROAPEO-VYIQYICTSA-N	0	0	485.396	6.776	40	5		JKBBRN
O=C1NC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1	ZINC000039556238	569810261	/nfs/dbraw/zinc/81/02/61/569810261.db2.gz	WSDCHXNEHGXAKC-WSDLNYQXSA-N	0	0	472.888	5.349	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1	ZINC000039759193	569811494	/nfs/dbraw/zinc/81/14/94/569811494.db2.gz	OVDYVGCISMSPJR-OUKQBFOZSA-N	0	0	471.498	5.018	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1	ZINC000039756153	569811530	/nfs/dbraw/zinc/81/15/30/569811530.db2.gz	ROSRXJSZWBOWIH-UHFFFAOYSA-N	0	0	479.905	5.271	40	5		JKBBRN
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102706934	569816537	/nfs/dbraw/zinc/81/65/37/569816537.db2.gz	SRLUQNQQGCXAOS-SDHOMARFSA-N	0	0	499.910	5.453	40	5		JKBBRN
O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)N1c1ccccc1	ZINC000102723449	569817391	/nfs/dbraw/zinc/81/73/91/569817391.db2.gz	YAGSEIQCOXLKEW-SDHSZQHLSA-N	0	0	497.532	5.374	40	5		JKBBRN
O=c1c2cc3c(ccn(C4CCCCCC4)c3=O)nc2ccn1-c1nc(SCc2ccccc2)n[nH]1	ZINC000040398953	569825920	/nfs/dbraw/zinc/82/59/20/569825920.db2.gz	FJSSPXKCQYMFIF-UHFFFAOYSA-N	0	0	498.612	5.006	40	5		JKBBRN
Cn1c2ccccc2s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1	ZINC000103040179	569832233	/nfs/dbraw/zinc/83/22/33/569832233.db2.gz	UTPWLDDGDZTAGO-DQSJHHFOSA-N	0	0	486.597	5.348	40	5		JKBBRN
Cc1ccc(NC2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl	ZINC000103764526	569837944	/nfs/dbraw/zinc/83/79/44/569837944.db2.gz	KGKGVLITHHMVCX-QHCPKHFHSA-N	0	0	468.340	6.602	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1	ZINC000106681311	569854500	/nfs/dbraw/zinc/85/45/00/569854500.db2.gz	OEKPJCXWXWIZLQ-OYKKKHCWSA-N	0	0	469.522	5.834	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	ZINC000106683693	569854526	/nfs/dbraw/zinc/85/45/26/569854526.db2.gz	MNNQCCOWAQSHMG-NDENLUEZSA-N	0	0	497.916	5.681	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000106685849	569854579	/nfs/dbraw/zinc/85/45/79/569854579.db2.gz	XMFXGPZJWMEYOD-NVNXTCNLSA-N	0	0	453.701	5.247	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000106688483	569854659	/nfs/dbraw/zinc/85/46/59/569854659.db2.gz	JQGJJQRUUGSFHZ-GRSHGNNSSA-N	0	0	475.309	6.398	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1	ZINC000106689645	569854669	/nfs/dbraw/zinc/85/46/69/569854669.db2.gz	BOLNUSDSABLYGA-CFRMEGHHSA-N	0	0	487.512	5.973	40	5		JKBBRN
COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000106698426	569854747	/nfs/dbraw/zinc/85/47/47/569854747.db2.gz	IGDRBSZQLAFROZ-QRVIBDJDSA-N	0	0	494.500	5.558	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl	ZINC000106717948	569854989	/nfs/dbraw/zinc/85/49/89/569854989.db2.gz	IABNEWNMWYXBBR-CHHVJCJISA-N	0	0	488.146	5.901	40	5		JKBBRN
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc21	ZINC000106718608	569855076	/nfs/dbraw/zinc/85/50/76/569855076.db2.gz	ZLGOVBZRLWXAPJ-HAHDFKILSA-N	0	0	455.495	5.775	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1	ZINC000106722116	569855134	/nfs/dbraw/zinc/85/51/34/569855134.db2.gz	MXVGILRNUOPFRF-NVNXTCNLSA-N	0	0	498.152	5.356	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106722582	569855141	/nfs/dbraw/zinc/85/51/41/569855141.db2.gz	FYSYNRBDZWZAEV-OYKKKHCWSA-N	0	0	469.522	5.834	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106726837	569855148	/nfs/dbraw/zinc/85/51/48/569855148.db2.gz	CYCXDZYXGZUBNT-UUYOSTAYSA-N	0	0	498.919	6.203	40	5		JKBBRN
CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC	ZINC000106739398	569855375	/nfs/dbraw/zinc/85/53/75/569855375.db2.gz	GUBOIMZGBHOMHW-STZFKDTASA-N	0	0	456.520	5.409	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(C)C	ZINC000106739518	569855410	/nfs/dbraw/zinc/85/54/10/569855410.db2.gz	GQXPNHNQZWMOPU-MTJSOVHGSA-N	0	0	456.520	5.265	40	5		JKBBRN
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)o1	ZINC000108005287	569858308	/nfs/dbraw/zinc/85/83/08/569858308.db2.gz	GRUJJNMAZYQBIC-GIJQJNRQSA-N	0	0	488.861	5.124	40	5		JKBBRN
O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000108165228	569858901	/nfs/dbraw/zinc/85/89/01/569858901.db2.gz	QDUBBEVFXUHXSJ-UHFFFAOYSA-N	0	0	470.721	5.942	40	5		JKBBRN
Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1ccco1	ZINC000108227538	569859161	/nfs/dbraw/zinc/85/91/61/569859161.db2.gz	VODLSQMGIAHRER-UHFFFAOYSA-N	0	0	490.497	5.135	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000113833863	569862134	/nfs/dbraw/zinc/86/21/34/569862134.db2.gz	NAQOUDHSHDCEKA-HYARGMPZSA-N	0	0	462.483	5.423	40	5		JKBBRN
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCCC[C@@H]1C[C@]3(Cl)[N+](=O)[O-]	ZINC000118923323	569863660	/nfs/dbraw/zinc/86/36/60/569863660.db2.gz	WLCMLNQXGZCMEO-KGIXCLFGSA-N	0	0	452.123	8.320	40	5		JKBBRN
O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)c1)c1cccc([N+](=O)[O-])c1	ZINC000138524274	569865875	/nfs/dbraw/zinc/86/58/75/569865875.db2.gz	HRRDTPYGCKINRA-VGNMNXCYSA-N	0	0	491.503	5.296	40	5		JKBBRN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000138677405	569866244	/nfs/dbraw/zinc/86/62/44/569866244.db2.gz	IICAVMFXQVATMD-DHJUGAMNSA-N	0	0	482.533	5.008	40	5		JKBBRN
Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1	ZINC000169706875	569871576	/nfs/dbraw/zinc/87/15/76/569871576.db2.gz	HNYADDICHTXWIO-NTZWLTRZSA-N	0	0	480.611	5.884	40	5		JKBBRN
C[C@@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000195529331	569873523	/nfs/dbraw/zinc/87/35/23/569873523.db2.gz	MFWWICBCDMOQEH-SVQXRNPESA-N	0	0	480.590	5.421	40	5		JKBBRN
C[C@@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000195529329	569873543	/nfs/dbraw/zinc/87/35/43/569873543.db2.gz	MFWWICBCDMOQEH-MPWIWIEXSA-N	0	0	480.590	5.421	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1	ZINC000205658216	569873992	/nfs/dbraw/zinc/87/39/92/569873992.db2.gz	ROOBULUJKACOBR-RGVLZGJSSA-N	0	0	481.442	5.008	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000205652671	569874022	/nfs/dbraw/zinc/87/40/22/569874022.db2.gz	JFVLULZDNUAOJT-VCHYOVAHSA-N	0	0	475.309	6.398	40	5		JKBBRN
CCOC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O	ZINC000205669969	569874048	/nfs/dbraw/zinc/87/40/48/569874048.db2.gz	WWCNUIYCVIATLK-RQZCQDPDSA-N	0	0	496.419	5.005	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000205701078	569874160	/nfs/dbraw/zinc/87/41/60/569874160.db2.gz	CUZFCOWVBUINAY-RGVLZGJSSA-N	0	0	465.443	5.308	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1cccc2ccccc21	ZINC000209534877	569875960	/nfs/dbraw/zinc/87/59/60/569875960.db2.gz	UCQINERVFBFHQU-OEAKJJBVSA-N	0	0	456.479	6.245	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1	ZINC000214045176	569876224	/nfs/dbraw/zinc/87/62/24/569876224.db2.gz	NVIUPXVVLWLLPP-YBFXNURJSA-N	0	0	485.315	5.854	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000214055313	569876282	/nfs/dbraw/zinc/87/62/82/569876282.db2.gz	KBUVKQHZGURROC-BUVRLJJBSA-N	0	0	490.537	5.809	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000214079431	569876289	/nfs/dbraw/zinc/87/62/89/569876289.db2.gz	ASIMCRFMORVSEA-RGVLZGJSSA-N	0	0	497.916	5.681	40	5		JKBBRN
O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl	ZINC000214126841	569876336	/nfs/dbraw/zinc/87/63/36/569876336.db2.gz	MYZPUVYKPXUESL-UDWIEESQSA-N	0	0	453.907	5.335	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000214169925	569876397	/nfs/dbraw/zinc/87/63/97/569876397.db2.gz	JWAKMXOAIIFMNL-RGVLZGJSSA-N	0	0	497.916	5.681	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214136863	569876418	/nfs/dbraw/zinc/87/64/18/569876418.db2.gz	XOWQJBVYXBLWHS-RGVLZGJSSA-N	0	0	470.890	5.753	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000214197901	569876437	/nfs/dbraw/zinc/87/64/37/569876437.db2.gz	UXNVFSCUTYUDEN-SRZZPIQSSA-N	0	0	452.463	5.847	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000214190098	569876461	/nfs/dbraw/zinc/87/64/61/569876461.db2.gz	WIZPWFRXAJEHFQ-SRZZPIQSSA-N	0	0	468.918	6.362	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000214208971	569876471	/nfs/dbraw/zinc/87/64/71/569876471.db2.gz	OWBPYPXNTQTYTK-YDZHTSKRSA-N	0	0	494.500	5.558	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(F)cc1	ZINC000214215853	569876474	/nfs/dbraw/zinc/87/64/74/569876474.db2.gz	CIZUOJFDWZEBMX-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000214353019	569876606	/nfs/dbraw/zinc/87/66/06/569876606.db2.gz	YCJYFPJBKLCQPW-FSJBWODESA-N	0	0	494.500	5.558	40	5		JKBBRN
O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1Cl	ZINC000214424032	569876638	/nfs/dbraw/zinc/87/66/38/569876638.db2.gz	QXBKOEOYBNSLQJ-YDZHTSKRSA-N	0	0	464.373	7.536	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)o1	ZINC000214489979	569876697	/nfs/dbraw/zinc/87/66/97/569876697.db2.gz	LTPQKDMIBXJOHT-CIAFOILYSA-N	0	0	450.472	5.408	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(C)c4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214627758	569876816	/nfs/dbraw/zinc/87/68/16/569876816.db2.gz	IVIGGIDPMDHZRH-CIAFOILYSA-N	0	0	450.472	5.408	40	5		JKBBRN
O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1c(Cl)cccc1Cl	ZINC000214824537	569877039	/nfs/dbraw/zinc/87/70/39/569877039.db2.gz	CJXRRAXSJWNDNV-YDZHTSKRSA-N	0	0	464.373	7.536	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214906095	569877054	/nfs/dbraw/zinc/87/70/54/569877054.db2.gz	XLINKLPHNHURSW-XQNSMLJCSA-N	0	0	476.510	5.289	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214897162	569877065	/nfs/dbraw/zinc/87/70/65/569877065.db2.gz	AWRWTEJAMNNCKH-LPYMAVHISA-N	0	0	491.481	5.319	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214979709	569877089	/nfs/dbraw/zinc/87/70/89/569877089.db2.gz	VSPQPJQMMNVMJR-VXLYETTFSA-N	0	0	485.861	5.653	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214900822	569877096	/nfs/dbraw/zinc/87/70/96/569877096.db2.gz	XBZAYGYOCQTTRL-LPYMAVHISA-N	0	0	491.481	5.319	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214990337	569877122	/nfs/dbraw/zinc/87/71/22/569877122.db2.gz	UNHKXMMKHLQTTB-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214988660	569877132	/nfs/dbraw/zinc/87/71/32/569877132.db2.gz	RHDNYNZKQJLGRQ-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)c([N+](=O)[O-])c1	ZINC000214991892	569877135	/nfs/dbraw/zinc/87/71/35/569877135.db2.gz	CGECBDOENSVBOE-RGVLZGJSSA-N	0	0	465.443	5.308	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214990430	569877143	/nfs/dbraw/zinc/87/71/43/569877143.db2.gz	AVKYIYWJAPSWSB-YBFXNURJSA-N	0	0	474.416	6.110	40	5		JKBBRN
O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Br	ZINC000215061035	569877157	/nfs/dbraw/zinc/87/71/57/569877157.db2.gz	ILQWCWIWWYXNNT-UDWIEESQSA-N	0	0	498.358	5.444	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000215112787	569877214	/nfs/dbraw/zinc/87/72/14/569877214.db2.gz	JZBXORFNGQOMJV-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000215149685	569877246	/nfs/dbraw/zinc/87/72/46/569877246.db2.gz	GDHODWMLWSPGBD-DJKKODMXSA-N	0	0	493.299	6.537	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000215120341	569877250	/nfs/dbraw/zinc/87/72/50/569877250.db2.gz	HQBCDSMJFJREBQ-DJKKODMXSA-N	0	0	493.299	6.537	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000215255631	569877262	/nfs/dbraw/zinc/87/72/62/569877262.db2.gz	BOFFXUYEFWPISZ-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)cc1[N+](=O)[O-]	ZINC000215212639	569877272	/nfs/dbraw/zinc/87/72/72/569877272.db2.gz	QSNYSCHEONYTDZ-ODCIPOBUSA-N	0	0	498.900	5.782	40	5		JKBBRN
CCOC(=O)c1cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)ccc1Cl	ZINC000216292053	569878189	/nfs/dbraw/zinc/87/81/89/569878189.db2.gz	GJKLYMYEKDYSDM-XSFVSMFZSA-N	0	0	450.878	5.604	40	5		JKBBRN
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc3oc(=O)c4ccccc4c3cc2Cl)CC1	ZINC000217534420	569880214	/nfs/dbraw/zinc/88/02/14/569880214.db2.gz	FBVMHQYLXVTJPK-IYBDPMFKSA-N	0	0	485.964	5.836	40	5		JKBBRN
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21	ZINC000222716318	569889385	/nfs/dbraw/zinc/88/93/85/569889385.db2.gz	GIUAJPMCSYTDJS-KHIBUBOWSA-N	0	0	450.520	5.238	40	5		JKBBRN
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21	ZINC000222716204	569889387	/nfs/dbraw/zinc/88/93/87/569889387.db2.gz	GIUAJPMCSYTDJS-YKAGIRRDSA-N	0	0	450.520	5.238	40	5		JKBBRN
COc1cc(C)c([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C(C)C	ZINC000223270264	569905579	/nfs/dbraw/zinc/90/55/79/569905579.db2.gz	FNPKKUOYNJVMGU-NTRYICDMSA-N	0	0	458.558	6.453	40	5		JKBBRN
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000223362438	569908754	/nfs/dbraw/zinc/90/87/54/569908754.db2.gz	JUEAQDAJIFCDFN-NRFANRHFSA-N	0	0	492.041	5.204	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223377104	569909358	/nfs/dbraw/zinc/90/93/58/569909358.db2.gz	UYWISHQMMANCGH-WXVAWEFUSA-N	0	0	487.600	5.001	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223399777	569909849	/nfs/dbraw/zinc/90/98/49/569909849.db2.gz	DPPRCVQAURJIBP-RPWUZVMVSA-N	0	0	456.527	5.423	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1	ZINC000223406922	569910157	/nfs/dbraw/zinc/91/01/57/569910157.db2.gz	CFUVXHXCTQPFDQ-ZEQRLZLVSA-N	0	0	456.527	5.423	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1	ZINC000223406787	569910166	/nfs/dbraw/zinc/91/01/66/569910166.db2.gz	CFUVXHXCTQPFDQ-DNQXCXABSA-N	0	0	456.527	5.423	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223406719	569910196	/nfs/dbraw/zinc/91/01/96/569910196.db2.gz	ITUGWKCLKDPDGG-ZEQRLZLVSA-N	0	0	456.527	5.423	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223446210	569911632	/nfs/dbraw/zinc/91/16/32/569911632.db2.gz	FNQASHCNXUWEIF-RPBOFIJWSA-N	0	0	486.553	5.431	40	5		JKBBRN
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223452220	569911812	/nfs/dbraw/zinc/91/18/12/569911812.db2.gz	XSJTZNKLQFTOTC-LJQANCHMSA-N	0	0	480.392	5.166	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223782738	569923197	/nfs/dbraw/zinc/92/31/97/569923197.db2.gz	OPUCXQPATCPDGN-ZEQRLZLVSA-N	0	0	472.526	5.436	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000223829864	569924571	/nfs/dbraw/zinc/92/45/71/569924571.db2.gz	IFMRVRLSAFBHGG-RPBOFIJWSA-N	0	0	485.569	5.356	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000223830059	569924594	/nfs/dbraw/zinc/92/45/94/569924594.db2.gz	HGPALJHWEJRCRU-DQEYMECFSA-N	0	0	485.569	5.356	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1	ZINC000223880981	569926078	/nfs/dbraw/zinc/92/60/78/569926078.db2.gz	VQCYRGUTTFWNHL-GOTSBHOMSA-N	0	0	458.499	5.133	40	5		JKBBRN
CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223902693	569926722	/nfs/dbraw/zinc/92/67/22/569926722.db2.gz	RQVWEJCNQDTYLG-HXUWFJFHSA-N	0	0	480.392	5.168	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000223908393	569926914	/nfs/dbraw/zinc/92/69/14/569926914.db2.gz	MSNCLIWOUGEEPQ-RPBOFIJWSA-N	0	0	484.585	5.024	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000223908627	569926929	/nfs/dbraw/zinc/92/69/29/569926929.db2.gz	PYRZFHBRVSGRRM-RPBOFIJWSA-N	0	0	484.585	5.024	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223918187	569927242	/nfs/dbraw/zinc/92/72/42/569927242.db2.gz	IBDVVYJPLGBIKJ-DQEYMECFSA-N	0	0	485.569	5.493	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223918495	569927256	/nfs/dbraw/zinc/92/72/56/569927256.db2.gz	JKNXNTMNWYRXGA-LOSJGSFVSA-N	0	0	485.569	5.493	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223997778	569929863	/nfs/dbraw/zinc/92/98/63/569929863.db2.gz	DZWXDGJSYPPNNT-DQEYMECFSA-N	0	0	499.552	5.385	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223998063	569929901	/nfs/dbraw/zinc/92/99/01/569929901.db2.gz	DQBUQQFDGTZMDF-RPBOFIJWSA-N	0	0	499.552	5.385	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1	ZINC000224029168	569931180	/nfs/dbraw/zinc/93/11/80/569931180.db2.gz	VJGFKFHTMVGEMB-BJKOFHAPSA-N	0	0	486.509	5.156	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1	ZINC000224185215	569935649	/nfs/dbraw/zinc/93/56/49/569935649.db2.gz	PENFXJBLQVLKAB-ZEQRLZLVSA-N	0	0	472.526	5.436	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224213151	569936706	/nfs/dbraw/zinc/93/67/06/569936706.db2.gz	JJCBYBWLUWAYKA-ZEQRLZLVSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224213094	569936716	/nfs/dbraw/zinc/93/67/16/569936716.db2.gz	YUXDMLBJGPOVSN-DNQXCXABSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224213013	569936737	/nfs/dbraw/zinc/93/67/37/569936737.db2.gz	YUXDMLBJGPOVSN-RPWUZVMVSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224213047	569936748	/nfs/dbraw/zinc/93/67/48/569936748.db2.gz	YUXDMLBJGPOVSN-BJKOFHAPSA-N	0	0	455.543	5.266	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1	ZINC000224218874	569936949	/nfs/dbraw/zinc/93/69/49/569936949.db2.gz	BLKGSFTYAPIOCW-DQEYMECFSA-N	0	0	486.553	5.744	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1	ZINC000224245449	569937905	/nfs/dbraw/zinc/93/79/05/569937905.db2.gz	RYOXJGODGZGYHI-DNQXCXABSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000224245594	569937955	/nfs/dbraw/zinc/93/79/55/569937955.db2.gz	WSKOYAHHEPGMJD-BJKOFHAPSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224248053	569938038	/nfs/dbraw/zinc/93/80/38/569938038.db2.gz	CWLMVSGLKKBFSB-BJKOFHAPSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224248105	569938043	/nfs/dbraw/zinc/93/80/43/569938043.db2.gz	CWLMVSGLKKBFSB-DNQXCXABSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000224278619	569939057	/nfs/dbraw/zinc/93/90/57/569939057.db2.gz	AYNZWEIUJWPMOS-DQEYMECFSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000224278747	569939068	/nfs/dbraw/zinc/93/90/68/569939068.db2.gz	AYNZWEIUJWPMOS-JWQCQUIFSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C	ZINC000224287415	569939398	/nfs/dbraw/zinc/93/93/98/569939398.db2.gz	CMSHGVYFKWFLKV-LOSJGSFVSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1	ZINC000224313226	569940107	/nfs/dbraw/zinc/94/01/07/569940107.db2.gz	MCBNOXOFFGSRNE-LOSJGSFVSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224315622	569940253	/nfs/dbraw/zinc/94/02/53/569940253.db2.gz	RIZJRJGEFBRCBE-DQEYMECFSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224322119	569940505	/nfs/dbraw/zinc/94/05/05/569940505.db2.gz	JLGWIBLGYKILSP-RPBOFIJWSA-N	0	0	470.554	6.044	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224345733	569941306	/nfs/dbraw/zinc/94/13/06/569941306.db2.gz	KTHDXBZXYUHAHS-LOSJGSFVSA-N	0	0	469.570	5.520	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224348105	569941434	/nfs/dbraw/zinc/94/14/34/569941434.db2.gz	SHQOOYOHLJRIJG-DQEYMECFSA-N	0	0	470.554	5.989	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224354903	569941698	/nfs/dbraw/zinc/94/16/98/569941698.db2.gz	ZNRRVLOPLLMZQZ-JWQCQUIFSA-N	0	0	470.554	5.989	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224354717	569941699	/nfs/dbraw/zinc/94/16/99/569941699.db2.gz	ANQAHXJPDVQWOH-JWQCQUIFSA-N	0	0	470.554	5.989	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224377954	569942534	/nfs/dbraw/zinc/94/25/34/569942534.db2.gz	DLCMXWGCJHAYBT-FTJBHMTQSA-N	0	0	483.597	6.081	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224378092	569942538	/nfs/dbraw/zinc/94/25/38/569942538.db2.gz	KSSRULBACFGCLS-UIOOFZCWSA-N	0	0	483.597	6.081	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1	ZINC000224409554	569943658	/nfs/dbraw/zinc/94/36/58/569943658.db2.gz	FIGJZTWEVLKYGI-PKTZIBPZSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1	ZINC000224409501	569943673	/nfs/dbraw/zinc/94/36/73/569943673.db2.gz	FIGJZTWEVLKYGI-DHIUTWEWSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1	ZINC000224409785	569943714	/nfs/dbraw/zinc/94/37/14/569943714.db2.gz	NWJABVQZOFLTJB-XZOQPEGZSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1	ZINC000224409822	569943723	/nfs/dbraw/zinc/94/37/23/569943723.db2.gz	NWJABVQZOFLTJB-GOTSBHOMSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224412022	569943805	/nfs/dbraw/zinc/94/38/05/569943805.db2.gz	XJNYBLAIYLFYDM-XZOQPEGZSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224418361	569943955	/nfs/dbraw/zinc/94/39/55/569943955.db2.gz	LUEFCOOXTQFHSQ-XZOQPEGZSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1	ZINC000224443111	569944682	/nfs/dbraw/zinc/94/46/82/569944682.db2.gz	JJUVPWRYAYPPTO-GOTSBHOMSA-N	0	0	459.506	5.097	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224448625	569944860	/nfs/dbraw/zinc/94/48/60/569944860.db2.gz	PWZJZUQEHYEZHG-DNQXCXABSA-N	0	0	490.516	5.575	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224451703	569944962	/nfs/dbraw/zinc/94/49/62/569944962.db2.gz	RACSCUPHXNYNFJ-DHIUTWEWSA-N	0	0	460.490	5.566	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224453777	569944982	/nfs/dbraw/zinc/94/49/82/569944982.db2.gz	MYGNEJMCBVJSLM-NRFANRHFSA-N	0	0	492.403	5.310	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	ZINC000224474626	569945584	/nfs/dbraw/zinc/94/55/84/569945584.db2.gz	LEVQLGXVIFPSAQ-DHIUTWEWSA-N	0	0	475.961	5.611	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224476664	569945665	/nfs/dbraw/zinc/94/56/65/569945665.db2.gz	ILHNYAWJOONRCL-XZOQPEGZSA-N	0	0	476.945	6.080	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224476710	569945673	/nfs/dbraw/zinc/94/56/73/569945673.db2.gz	ILHNYAWJOONRCL-GOTSBHOMSA-N	0	0	476.945	6.080	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224493259	569946183	/nfs/dbraw/zinc/94/61/83/569946183.db2.gz	YHGVHJBENDZWDJ-OAQYLSRUSA-N	0	0	492.403	5.310	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224545490	569947869	/nfs/dbraw/zinc/94/78/69/569947869.db2.gz	GBVPRKCHWVJARF-ZEQRLZLVSA-N	0	0	472.526	5.436	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(-c2ccccc2)cc1	ZINC000224559910	569948425	/nfs/dbraw/zinc/94/84/25/569948425.db2.gz	CJDBXBFTHOBTLB-UHFFFAOYSA-N	0	0	482.536	6.800	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000224588961	569949704	/nfs/dbraw/zinc/94/97/04/569949704.db2.gz	IRWYYUFEHGJYJV-BJKOFHAPSA-N	0	0	472.526	5.436	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224616934	569950948	/nfs/dbraw/zinc/95/09/48/569950948.db2.gz	CDDBMLILDHTNSJ-XZOQPEGZSA-N	0	0	458.499	5.133	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1	ZINC000224623643	569951256	/nfs/dbraw/zinc/95/12/56/569951256.db2.gz	ZSVZKWBFZZDXDG-DHIUTWEWSA-N	0	0	458.499	5.133	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)cc1	ZINC000224624001	569951272	/nfs/dbraw/zinc/95/12/72/569951272.db2.gz	JBAJRQOQGINFID-GOTSBHOMSA-N	0	0	458.499	5.133	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc2ccccc2c1	ZINC000224646277	569952152	/nfs/dbraw/zinc/95/21/52/569952152.db2.gz	IBWKOSHGDSDQOO-UHFFFAOYSA-N	0	0	456.498	6.286	40	5		JKBBRN
Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)S(C)(=O)=O)c1	ZINC000224684900	569953568	/nfs/dbraw/zinc/95/35/68/569953568.db2.gz	FLIBYGFYWCFUMY-UHFFFAOYSA-N	0	0	487.965	5.084	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccco3)cc2)cc1	ZINC000224760189	569956436	/nfs/dbraw/zinc/95/64/36/569956436.db2.gz	OGRJKHNOMWPBGY-GOTSBHOMSA-N	0	0	474.567	5.911	40	5		JKBBRN
C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224851191	569960349	/nfs/dbraw/zinc/96/03/49/569960349.db2.gz	MOGKZXPJEVSSFF-INIZCTEOSA-N	0	0	492.403	5.310	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	ZINC000224879207	569961516	/nfs/dbraw/zinc/96/15/16/569961516.db2.gz	RCKBMUYYZRGYHO-DHIUTWEWSA-N	0	0	491.960	5.317	40	5		JKBBRN
CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224881535	569961678	/nfs/dbraw/zinc/96/16/78/569961678.db2.gz	WCYYSNPJBNAXBD-HNNXBMFYSA-N	0	0	498.432	5.078	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1	ZINC000224881274	569961729	/nfs/dbraw/zinc/96/17/29/569961729.db2.gz	KMORXUVTJRITEM-DHIUTWEWSA-N	0	0	492.944	5.786	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1	ZINC000224887426	569961880	/nfs/dbraw/zinc/96/18/80/569961880.db2.gz	BALQOEMNPSHEND-XZOQPEGZSA-N	0	0	492.944	5.786	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1	ZINC000224887213	569961886	/nfs/dbraw/zinc/96/18/86/569961886.db2.gz	NPBMPCFBKHGKTC-PKTZIBPZSA-N	0	0	492.944	5.786	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1	ZINC000224887251	569961940	/nfs/dbraw/zinc/96/19/40/569961940.db2.gz	NPBMPCFBKHGKTC-XZOQPEGZSA-N	0	0	492.944	5.786	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F	ZINC000224908541	569962874	/nfs/dbraw/zinc/96/28/74/569962874.db2.gz	HECPNSCMXQBRMT-BJKOFHAPSA-N	0	0	473.533	5.405	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F	ZINC000224908407	569962916	/nfs/dbraw/zinc/96/29/16/569962916.db2.gz	OZCLKDRQCOTHOP-DNQXCXABSA-N	0	0	473.533	5.405	40	5		JKBBRN
CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224914335	569963213	/nfs/dbraw/zinc/96/32/13/569963213.db2.gz	XEKKVNCJPTZESM-HNNXBMFYSA-N	0	0	498.432	5.078	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F	ZINC000224916932	569963316	/nfs/dbraw/zinc/96/33/16/569963316.db2.gz	ZLTASYFHRDQFNC-RPWUZVMVSA-N	0	0	474.517	5.874	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F	ZINC000224916975	569963319	/nfs/dbraw/zinc/96/33/19/569963319.db2.gz	ZLTASYFHRDQFNC-BJKOFHAPSA-N	0	0	474.517	5.874	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F	ZINC000224916893	569963339	/nfs/dbraw/zinc/96/33/39/569963339.db2.gz	ZLTASYFHRDQFNC-ZEQRLZLVSA-N	0	0	474.517	5.874	40	5		JKBBRN
CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	ZINC000224937593	569964104	/nfs/dbraw/zinc/96/41/04/569964104.db2.gz	QSOVNVSGOUWBJT-QGZVFWFLSA-N	0	0	496.029	5.161	40	5		JKBBRN
CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	ZINC000224937399	569964126	/nfs/dbraw/zinc/96/41/26/569964126.db2.gz	JEYHAFZRFJEFHZ-UHFFFAOYSA-N	0	0	496.029	5.159	40	5		JKBBRN
CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc2cc(Br)ccc2o1	ZINC000408595202	569965955	/nfs/dbraw/zinc/96/59/55/569965955.db2.gz	LCRBCEHGZUAEQZ-UHFFFAOYSA-N	0	0	487.335	5.357	40	5		JKBBRN
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408599745	569968175	/nfs/dbraw/zinc/96/81/75/569968175.db2.gz	JZOQLMHXPOWISP-UHFFFAOYSA-N	0	0	477.933	5.498	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408603015	569969748	/nfs/dbraw/zinc/96/97/48/569969748.db2.gz	AGGNWYXVMLVQRC-UHFFFAOYSA-N	0	0	463.368	5.935	40	5		JKBBRN
COc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408603884	569970182	/nfs/dbraw/zinc/97/01/82/569970182.db2.gz	DIVSTSWCEQZVAY-UHFFFAOYSA-N	0	0	491.769	6.519	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	ZINC000408605684	569970796	/nfs/dbraw/zinc/97/07/96/569970796.db2.gz	GKYPLJQFZLDQBC-UHFFFAOYSA-N	0	0	455.898	5.195	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225036720	569970832	/nfs/dbraw/zinc/97/08/32/569970832.db2.gz	IMOCXMOAOPGTBM-VWLOTQADSA-N	0	0	497.661	5.393	40	5		JKBBRN
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)ccc1OC	ZINC000408606209	569971141	/nfs/dbraw/zinc/97/11/41/569971141.db2.gz	PFERNDMOTKHZPU-RMKNXTFCSA-N	0	0	487.896	5.140	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1	ZINC000408609149	569971987	/nfs/dbraw/zinc/97/19/87/569971987.db2.gz	OHXGPVZTXBHYCX-UHFFFAOYSA-N	0	0	492.167	6.311	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1	ZINC000408609155	569972006	/nfs/dbraw/zinc/97/20/06/569972006.db2.gz	OJMMINODRGVGKR-UHFFFAOYSA-N	0	0	463.331	6.702	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc32)cc1	ZINC000408609132	569972022	/nfs/dbraw/zinc/97/20/22/569972022.db2.gz	OFSCWOMWCTZHJP-UHFFFAOYSA-N	0	0	463.331	6.702	40	5		JKBBRN
CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408609784	569972239	/nfs/dbraw/zinc/97/22/39/569972239.db2.gz	OSYPGRUPADYESX-UHFFFAOYSA-N	0	0	465.308	6.631	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1	ZINC000225055328	569972278	/nfs/dbraw/zinc/97/22/78/569972278.db2.gz	KLQOVDLNVAPPGI-CLJLJLNGSA-N	0	0	499.596	5.725	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc21	ZINC000408610728	569972557	/nfs/dbraw/zinc/97/25/57/569972557.db2.gz	RWVWSVHDAXXGJM-UHFFFAOYSA-N	0	0	493.357	6.710	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1	ZINC000225061307	569972762	/nfs/dbraw/zinc/97/27/62/569972762.db2.gz	MCCZUVRWLPIYTE-CLJLJLNGSA-N	0	0	499.596	5.725	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408613092	569973142	/nfs/dbraw/zinc/97/31/42/569973142.db2.gz	XKCRGQPWDWJVAO-UHFFFAOYSA-N	0	0	458.268	5.457	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000408613635	569973374	/nfs/dbraw/zinc/97/33/74/569973374.db2.gz	ZBFZZLOLBSHWOX-UHFFFAOYSA-N	0	0	455.898	5.195	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F	ZINC000408613630	569973419	/nfs/dbraw/zinc/97/34/19/569973419.db2.gz	ZAMGZBKNTYNDGT-UHFFFAOYSA-N	0	0	475.314	6.086	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225131444	569977011	/nfs/dbraw/zinc/97/70/11/569977011.db2.gz	CIUWKJJCXIWBKX-JOCHJYFZSA-N	0	0	471.985	5.047	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225131400	569977037	/nfs/dbraw/zinc/97/70/37/569977037.db2.gz	CIUWKJJCXIWBKX-QFIPXVFZSA-N	0	0	471.985	5.047	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225161045	569979281	/nfs/dbraw/zinc/97/92/81/569979281.db2.gz	VVYIZVGLJZZYTR-QFIPXVFZSA-N	0	0	471.985	5.047	40	5		JKBBRN
O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1	ZINC000225229193	569984239	/nfs/dbraw/zinc/98/42/39/569984239.db2.gz	XVMQBNSPFKFESW-MUUNZHRXSA-N	0	0	499.611	5.226	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O	ZINC000408638695	569988045	/nfs/dbraw/zinc/98/80/45/569988045.db2.gz	CZBAXGFFFDJCKN-OAHLLOKOSA-N	0	0	481.892	5.041	40	5		JKBBRN
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408642538	569989867	/nfs/dbraw/zinc/98/98/67/569989867.db2.gz	OTWCDGBKNFJIRQ-LJQANCHMSA-N	0	0	487.556	5.985	40	5		JKBBRN
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000225352862	569992347	/nfs/dbraw/zinc/99/23/47/569992347.db2.gz	KKWJOPIUFCYVDR-UIOOFZCWSA-N	0	0	499.596	5.745	40	5		JKBBRN
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000225352773	569992362	/nfs/dbraw/zinc/99/23/62/569992362.db2.gz	AQUOMLPFICGHDD-IZZNHLLZSA-N	0	0	499.596	5.745	40	5		JKBBRN
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000225352708	569992408	/nfs/dbraw/zinc/99/24/08/569992408.db2.gz	AQUOMLPFICGHDD-UIOOFZCWSA-N	0	0	499.596	5.745	40	5		JKBBRN
Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1[N+](=O)[O-]	ZINC000408669568	570006620	/nfs/dbraw/zinc/00/66/20/570006620.db2.gz	WWMJHBRWMYKLGT-GERBCZOESA-N	0	0	496.560	5.316	40	5		JKBBRN
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	ZINC000408670669	570007194	/nfs/dbraw/zinc/00/71/94/570007194.db2.gz	IYCWLECBWVLBKM-UHFFFAOYSA-N	0	0	467.481	6.200	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225588275	570007955	/nfs/dbraw/zinc/00/79/55/570007955.db2.gz	RCRKJJIJMDNVNW-VGSWGCGISA-N	0	0	492.041	5.204	40	5		JKBBRN
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225595972	570008509	/nfs/dbraw/zinc/00/85/09/570008509.db2.gz	GVUCDAOFMUZIOB-OAHLLOKOSA-N	0	0	498.432	5.077	40	5		JKBBRN
Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)cc2)cc1	ZINC000408673896	570008938	/nfs/dbraw/zinc/00/89/38/570008938.db2.gz	VZVUPNMPJPBIHQ-UHFFFAOYSA-N	0	0	467.481	6.200	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225616246	570009931	/nfs/dbraw/zinc/00/99/31/570009931.db2.gz	LNTHZLGCWRNOAK-JTSKRJEESA-N	0	0	492.041	5.204	40	5		JKBBRN
CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225616184	570009935	/nfs/dbraw/zinc/00/99/35/570009935.db2.gz	LNTHZLGCWRNOAK-HTAPYJJXSA-N	0	0	492.041	5.204	40	5		JKBBRN
CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]2C1	ZINC000408677666	570011040	/nfs/dbraw/zinc/01/10/40/570011040.db2.gz	DXWDLROCFFQEKG-DQEYMECFSA-N	0	0	481.508	5.360	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2Cl)cc1	ZINC000408677875	570011103	/nfs/dbraw/zinc/01/11/03/570011103.db2.gz	CDQDGJWBEUJSEP-JOCHJYFZSA-N	0	0	478.353	5.998	40	5		JKBBRN
CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225633095	570011125	/nfs/dbraw/zinc/01/11/25/570011125.db2.gz	KAVVUSRDVVJMID-OAHLLOKOSA-N	0	0	498.432	5.077	40	5		JKBBRN
CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225670800	570013714	/nfs/dbraw/zinc/01/37/14/570013714.db2.gz	CIGOLKZJJOSZTQ-MGPUTAFESA-N	0	0	480.392	5.166	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)N1[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000408686774	570014173	/nfs/dbraw/zinc/01/41/73/570014173.db2.gz	SUAMGBQQIMPRGO-WKEDTZOBSA-N	0	0	491.503	5.296	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225698402	570015886	/nfs/dbraw/zinc/01/58/86/570015886.db2.gz	RXNIGIUVPMQHHA-FOIQADDNSA-N	0	0	480.392	5.166	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225698450	570015913	/nfs/dbraw/zinc/01/59/13/570015913.db2.gz	RXNIGIUVPMQHHA-QRWLVFNGSA-N	0	0	480.392	5.166	40	5		JKBBRN
CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225698428	570015915	/nfs/dbraw/zinc/01/59/15/570015915.db2.gz	RXNIGIUVPMQHHA-MGPUTAFESA-N	0	0	480.392	5.166	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)n1	ZINC000408693808	570016399	/nfs/dbraw/zinc/01/63/99/570016399.db2.gz	FBXSNCVITLTCCN-UHFFFAOYSA-N	0	0	498.724	5.511	40	5		JKBBRN
Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)cc1	ZINC000408694712	570017131	/nfs/dbraw/zinc/01/71/31/570017131.db2.gz	LYULMJRTROXXJR-UHFFFAOYSA-N	0	0	478.306	5.166	40	5		JKBBRN
Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Cl)c(Cl)c2)cc1	ZINC000408694700	570017158	/nfs/dbraw/zinc/01/71/58/570017158.db2.gz	LWCUADMXNCYLEJ-UHFFFAOYSA-N	0	0	468.300	5.710	40	5		JKBBRN
Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1	ZINC000408694760	570017314	/nfs/dbraw/zinc/01/73/14/570017314.db2.gz	MHRXTXKVLXZNJK-UHFFFAOYSA-N	0	0	451.845	5.196	40	5		JKBBRN
Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)c1	ZINC000408694780	570017333	/nfs/dbraw/zinc/01/73/33/570017333.db2.gz	MLFYISLONJKHBV-UHFFFAOYSA-N	0	0	492.333	5.474	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225726234	570018136	/nfs/dbraw/zinc/01/81/36/570018136.db2.gz	LBGZDRSCKVKESQ-YWZLYKJASA-N	0	0	480.392	5.166	40	5		JKBBRN
CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OCC	ZINC000225757111	570020347	/nfs/dbraw/zinc/02/03/47/570020347.db2.gz	JZNVCMAQVUFRIY-UHFFFAOYSA-N	0	0	454.523	5.401	40	5		JKBBRN
CCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(=O)(=O)c1ccc(SC)cc1	ZINC000408701654	570021992	/nfs/dbraw/zinc/02/19/92/570021992.db2.gz	BSIRQILPISACFC-UHFFFAOYSA-N	0	0	485.587	5.093	40	5		JKBBRN
Cc1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-]	ZINC000408702321	570022448	/nfs/dbraw/zinc/02/24/48/570022448.db2.gz	BGDZFRAGTLTVLM-DEOSSOPVSA-N	0	0	481.961	5.583	40	5		JKBBRN
CCN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(C)cc1	ZINC000225854630	570025049	/nfs/dbraw/zinc/02/50/49/570025049.db2.gz	DLUATRAXFWUPJG-UHFFFAOYSA-N	0	0	495.582	5.585	40	5		JKBBRN
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	ZINC000408729740	570028815	/nfs/dbraw/zinc/02/88/15/570028815.db2.gz	CHIMMXHLQDQWLU-UHFFFAOYSA-N	0	0	459.505	6.972	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	ZINC000408733014	570029663	/nfs/dbraw/zinc/02/96/63/570029663.db2.gz	VBBUXNYLZMBLHN-UHFFFAOYSA-N	0	0	459.505	6.972	40	5		JKBBRN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	ZINC000408733307	570029751	/nfs/dbraw/zinc/02/97/51/570029751.db2.gz	XGOUMDKIRCBBQH-UHFFFAOYSA-N	0	0	493.950	7.625	40	5		JKBBRN
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000408735217	570030096	/nfs/dbraw/zinc/03/00/96/570030096.db2.gz	OSBDZPKKEGZZNW-UHFFFAOYSA-N	0	0	463.515	5.439	40	5		JKBBRN
Cc1cccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1	ZINC000408750454	570033937	/nfs/dbraw/zinc/03/39/37/570033937.db2.gz	NEIQLHFZLXXHKT-UHFFFAOYSA-N	0	0	461.524	5.606	40	5		JKBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1	ZINC000408750922	570034185	/nfs/dbraw/zinc/03/41/85/570034185.db2.gz	UBNAWSNERDBTEB-UHFFFAOYSA-N	0	0	465.487	5.437	40	5		JKBBRN
CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12	ZINC000408752780	570034727	/nfs/dbraw/zinc/03/47/27/570034727.db2.gz	GTSFDIVUDZWNDA-MWKZZOCJSA-N	0	0	486.527	5.833	40	5		JKBBRN
CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12	ZINC000408752768	570034756	/nfs/dbraw/zinc/03/47/56/570034756.db2.gz	GTSFDIVUDZWNDA-AXLDUSBXSA-N	0	0	486.527	5.833	40	5		JKBBRN
Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1	ZINC000408756606	570035652	/nfs/dbraw/zinc/03/56/52/570035652.db2.gz	IBVGUVMBWOBLDZ-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1	ZINC000408757897	570036104	/nfs/dbraw/zinc/03/61/04/570036104.db2.gz	RYDUXZJDNYRHOM-UHFFFAOYSA-N	0	0	459.845	5.651	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000226333891	570037518	/nfs/dbraw/zinc/03/75/18/570037518.db2.gz	CRYDTGWOULSLPD-CTHUERKZSA-N	0	0	460.961	7.124	40	5		JKBBRN
CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C1=O	ZINC000408766741	570038097	/nfs/dbraw/zinc/03/80/97/570038097.db2.gz	FUFFOUBPCWGXRM-VIZOYTHASA-N	0	0	458.801	5.725	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)S2)cc1	ZINC000408773825	570039678	/nfs/dbraw/zinc/03/96/78/570039678.db2.gz	JFYJQGUXGGSRDD-SUAMDDGLSA-N	0	0	484.581	5.760	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1	ZINC000408777794	570040674	/nfs/dbraw/zinc/04/06/74/570040674.db2.gz	JDMMDSYVIBPFAZ-LWUPDDLQSA-N	0	0	461.543	5.336	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1	ZINC000408782206	570042028	/nfs/dbraw/zinc/04/20/28/570042028.db2.gz	FXBPVHHZFBFWBU-SUAMDDGLSA-N	0	0	484.581	5.760	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)cc1	ZINC000408786727	570043239	/nfs/dbraw/zinc/04/32/39/570043239.db2.gz	VPMXSRNKIYQADX-GJFKPFFXSA-N	0	0	461.543	5.336	40	5		JKBBRN
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1	ZINC000408799602	570044951	/nfs/dbraw/zinc/04/49/51/570044951.db2.gz	HDGXXMZCHMUZKG-UHFFFAOYSA-N	0	0	470.914	5.588	40	5		JKBBRN
Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1	ZINC000408802828	570046352	/nfs/dbraw/zinc/04/63/52/570046352.db2.gz	HYYGCGKQCXSOFN-UHFFFAOYSA-N	0	0	475.333	6.233	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3\SC(Nc4ccc(Cl)cc4C)NC3=O)o2)c([N+](=O)[O-])c1	ZINC000408803221	570046422	/nfs/dbraw/zinc/04/64/22/570046422.db2.gz	MPMRUKZOYFVHPB-UHFFFAOYSA-N	0	0	470.914	5.588	40	5		JKBBRN
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1Nc1ccccc1	ZINC000408803618	570046631	/nfs/dbraw/zinc/04/66/31/570046631.db2.gz	RHTZJKPEAINNJI-AVAWSDDZSA-N	0	0	477.653	8.047	40	5		JKBBRN
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1	ZINC000408806819	570047882	/nfs/dbraw/zinc/04/78/82/570047882.db2.gz	BUXUAHVIJBBVPG-UHFFFAOYSA-N	0	0	476.534	5.254	40	5		JKBBRN
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1	ZINC000408814646	570050107	/nfs/dbraw/zinc/05/01/07/570050107.db2.gz	VXHPKNVVMSLVGT-UHFFFAOYSA-N	0	0	456.887	5.280	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-]	ZINC000408825197	570052306	/nfs/dbraw/zinc/05/23/06/570052306.db2.gz	HVULBWZECGFGFX-UHFFFAOYSA-N	0	0	480.889	6.199	40	5		JKBBRN
COc1ccc(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408830898	570052678	/nfs/dbraw/zinc/05/26/78/570052678.db2.gz	ZALLLZYORYPPAU-UHFFFAOYSA-N	0	0	476.470	5.554	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000408830255	570052680	/nfs/dbraw/zinc/05/26/80/570052680.db2.gz	NTLIRGLFMNZNET-UHFFFAOYSA-N	0	0	474.498	6.163	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408835726	570053159	/nfs/dbraw/zinc/05/31/59/570053159.db2.gz	ZDTQVGYBGUWRBG-UHFFFAOYSA-N	0	0	491.572	7.613	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1cccc(Cl)c1	ZINC000408836776	570053194	/nfs/dbraw/zinc/05/31/94/570053194.db2.gz	VKMSGMPLIYDNFU-UHFFFAOYSA-N	0	0	470.337	6.944	40	5		JKBBRN
O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(Br)o1	ZINC000408839324	570053509	/nfs/dbraw/zinc/05/35/09/570053509.db2.gz	QQQVSZRUIDBKFD-UXBLZVDNSA-N	0	0	453.657	5.163	40	5		JKBBRN
O=C(NCCSCc1cccc(Cl)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408907158	570071133	/nfs/dbraw/zinc/07/11/33/570071133.db2.gz	LQPLCOKJCLZBLR-XQNSMLJCSA-N	0	0	452.963	5.838	40	5		JKBBRN
O=C(NCCSCc1ccccc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408906951	570071153	/nfs/dbraw/zinc/07/11/53/570071153.db2.gz	KZVNWDNNEAZQMU-CJLVFECKSA-N	0	0	452.963	5.838	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408917313	570075716	/nfs/dbraw/zinc/07/57/16/570075716.db2.gz	QXHVLICAVVPTRH-GRSHGNNSSA-N	0	0	485.861	5.653	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408919212	570076534	/nfs/dbraw/zinc/07/65/34/570076534.db2.gz	UWSCVUFLMWICJV-VXLYETTFSA-N	0	0	485.861	5.653	40	5		JKBBRN
CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@H]12	ZINC000408919638	570076639	/nfs/dbraw/zinc/07/66/39/570076639.db2.gz	ZLVBFZBJBQIABB-IOXNAGQWSA-N	0	0	452.510	5.172	40	5		JKBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1	ZINC000408921999	570077530	/nfs/dbraw/zinc/07/75/30/570077530.db2.gz	NSCHDXSMVPLYIU-LICLKQGHSA-N	0	0	473.510	5.201	40	5		JKBBRN
O=C(NCCSCc1ccc(Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408923427	570077858	/nfs/dbraw/zinc/07/78/58/570077858.db2.gz	XPPVUHVBPGJYHV-XQNSMLJCSA-N	0	0	452.963	5.838	40	5		JKBBRN
O=C1N/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000408934586	570081090	/nfs/dbraw/zinc/08/10/90/570081090.db2.gz	LYOYQEWHVNOFOL-ODLFYWEKSA-N	0	0	494.847	5.042	40	5		JKBBRN
O=C(Nc1ccc(I)cc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1	ZINC000408974492	570089344	/nfs/dbraw/zinc/08/93/44/570089344.db2.gz	AOOFRPCQFVTPTI-UHFFFAOYSA-N	0	0	464.266	5.121	40	5		JKBBRN
COc1cccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)c1	ZINC000408974741	570089462	/nfs/dbraw/zinc/08/94/62/570089462.db2.gz	CYWGDRIYCSKABZ-UHFFFAOYSA-N	0	0	462.538	5.697	40	5		JKBBRN
CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)C1	ZINC000408974784	570089472	/nfs/dbraw/zinc/08/94/72/570089472.db2.gz	DWXWQOUVHQAFKV-INIZCTEOSA-N	0	0	477.659	5.275	40	5		JKBBRN
CN(C)c1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408975024	570089541	/nfs/dbraw/zinc/08/95/41/570089541.db2.gz	IQGFJVZQGHDFGV-UHFFFAOYSA-N	0	0	475.581	5.754	40	5		JKBBRN
CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408975048	570089552	/nfs/dbraw/zinc/08/95/52/570089552.db2.gz	JAFYABKFSKHDJW-UHFFFAOYSA-N	0	0	452.562	6.216	40	5		JKBBRN
O=C(Nc1cccc(Br)c1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408975098	570089566	/nfs/dbraw/zinc/08/95/66/570089566.db2.gz	KBHNRSVSPFPMQD-UHFFFAOYSA-N	0	0	480.325	5.894	40	5		JKBBRN
Fc1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408976161	570089904	/nfs/dbraw/zinc/08/99/04/570089904.db2.gz	PVRDMYPKYBCJMP-UHFFFAOYSA-N	0	0	450.502	5.827	40	5		JKBBRN
S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1ccccc1Cl	ZINC000408977210	570090145	/nfs/dbraw/zinc/09/01/45/570090145.db2.gz	UVTBZXSUOSHKFE-UHFFFAOYSA-N	0	0	466.957	6.342	40	5		JKBBRN
CN(C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccc2ccccc2c1	ZINC000408977131	570090163	/nfs/dbraw/zinc/09/01/63/570090163.db2.gz	ULQQNSPMTXSXOO-UHFFFAOYSA-N	0	0	480.531	6.701	40	5		JKBBRN
COc1ccc(N(C)C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408978082	570090365	/nfs/dbraw/zinc/09/03/65/570090365.db2.gz	YASKBPMTWBIPGH-UHFFFAOYSA-N	0	0	460.497	5.556	40	5		JKBBRN
C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408978419	570090439	/nfs/dbraw/zinc/09/04/39/570090439.db2.gz	ZQGCXPUKXMFCCR-MRXNPFEDSA-N	0	0	456.509	5.863	40	5		JKBBRN
O=c1[nH]c(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)nc2sc3c(c21)CCCCCC3	ZINC000408986700	570092624	/nfs/dbraw/zinc/09/26/24/570092624.db2.gz	DAQBZQSSEDLRPA-UHFFFAOYSA-N	0	0	455.923	6.545	40	5		JKBBRN
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1ccccc1	ZINC000408989499	570093506	/nfs/dbraw/zinc/09/35/06/570093506.db2.gz	KVOPCSWXCPRXIR-VWLOTQADSA-N	0	0	483.549	6.027	40	5		JKBBRN
O=c1[nH]c(-c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)nc2sc3c(c21)CCCC3	ZINC000408989751	570093642	/nfs/dbraw/zinc/09/36/42/570093642.db2.gz	IUKWYIMRTIUONJ-UHFFFAOYSA-N	0	0	482.568	6.205	40	5		JKBBRN
Cc1nnc(Sc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCC5)cc2[N+](=O)[O-])s1	ZINC000408991950	570094305	/nfs/dbraw/zinc/09/43/05/570094305.db2.gz	PHKFTQORBAOFPZ-UHFFFAOYSA-N	0	0	471.589	5.552	40	5		JKBBRN
O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)cc1)c1ccccc1	ZINC000408992529	570094526	/nfs/dbraw/zinc/09/45/26/570094526.db2.gz	SIFVRFBDZYZDFO-ITHJLQSDSA-N	0	0	462.505	6.285	40	5		JKBBRN
Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4c5ccccc5C[C@@H]43)cc2)cc1	ZINC000408993054	570094684	/nfs/dbraw/zinc/09/46/84/570094684.db2.gz	BRXBQGUWHJCDAW-BKHJTQGXSA-N	0	0	462.549	6.953	40	5		JKBBRN
O=c1[nH]c(-c2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCC3	ZINC000408993293	570094703	/nfs/dbraw/zinc/09/47/03/570094703.db2.gz	VLLVPQHRDFZSJB-UHFFFAOYSA-N	0	0	486.578	6.550	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4c5ccccc5C[C@@H]43)cc2)cc1	ZINC000408993257	570094712	/nfs/dbraw/zinc/09/47/12/570094712.db2.gz	CZBMHTFUGVIZSK-MKYKQAKUSA-N	0	0	493.519	6.553	40	5		JKBBRN
CCCCN1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408993529	570094887	/nfs/dbraw/zinc/09/48/87/570094887.db2.gz	DTSYHSDZVLNZAD-UHFFFAOYSA-N	0	0	496.361	6.267	40	5		JKBBRN
COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@H]21	ZINC000408994305	570094997	/nfs/dbraw/zinc/09/49/97/570094997.db2.gz	ZEJZXIFCVYCIFO-PTUXOGIPSA-N	0	0	451.320	5.837	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O	ZINC000408996206	570095450	/nfs/dbraw/zinc/09/54/50/570095450.db2.gz	LKXUZWXLLGOASC-UHFFFAOYSA-N	0	0	459.845	5.651	40	5		JKBBRN
Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)c1	ZINC000408996564	570095469	/nfs/dbraw/zinc/09/54/69/570095469.db2.gz	QAYIIPVDFDKZIU-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc2ccccc2c1	ZINC000408996401	570095478	/nfs/dbraw/zinc/09/54/78/570095478.db2.gz	DKFUKUCZSIQHND-UHFFFAOYSA-N	0	0	493.906	7.099	40	5		JKBBRN
Cc1cccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)c1	ZINC000408997130	570095535	/nfs/dbraw/zinc/09/55/35/570095535.db2.gz	RLLIJBRTAVLTFI-UHFFFAOYSA-N	0	0	457.873	6.254	40	5		JKBBRN
CCCN1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408997437	570095583	/nfs/dbraw/zinc/09/55/83/570095583.db2.gz	OQUCRIRSXHIGCA-UHFFFAOYSA-N	0	0	482.334	5.877	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000409002185	570096637	/nfs/dbraw/zinc/09/66/37/570096637.db2.gz	YSVDSLWKYYCREJ-QUFBTCJSSA-N	0	0	482.967	7.298	40	5		JKBBRN
CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)cc1	ZINC000409003993	570097171	/nfs/dbraw/zinc/09/71/71/570097171.db2.gz	NJUIUGXZQUGXGT-JLPGSUDCSA-N	0	0	486.480	5.337	40	5		JKBBRN
CCCCOc1ccc(C2=N/C(=C/c3cccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)O2)cc1	ZINC000409006165	570098011	/nfs/dbraw/zinc/09/80/11/570098011.db2.gz	YAOOEBWNKORBOR-LFVJCYFKSA-N	0	0	486.480	5.337	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CCc1ccccc1	ZINC000409007414	570098377	/nfs/dbraw/zinc/09/83/77/570098377.db2.gz	PYRZEZCZGPUCJN-KQWNVCNZSA-N	0	0	460.511	5.453	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409009248	570098945	/nfs/dbraw/zinc/09/89/45/570098945.db2.gz	CKNBSBKABKIFMW-MQMKENTISA-N	0	0	490.965	6.061	40	5		JKBBRN
CC[C@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	ZINC000409010510	570099321	/nfs/dbraw/zinc/09/93/21/570099321.db2.gz	FFZNCTISNZDWAN-MDBUFAAASA-N	0	0	476.938	5.671	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1	ZINC000409013580	570100271	/nfs/dbraw/zinc/10/02/71/570100271.db2.gz	KVCNSJPAYAFHFC-UHFFFAOYSA-N	0	0	497.360	5.335	40	5		JKBBRN
CC[C@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O	ZINC000409014456	570100659	/nfs/dbraw/zinc/10/06/59/570100659.db2.gz	PWHWZZGMKXVMQR-YQCVNYCESA-N	0	0	462.527	6.162	40	5		JKBBRN
CCc1ccccc1NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409016893	570101420	/nfs/dbraw/zinc/10/14/20/570101420.db2.gz	AVNDBNJTNOYNCU-UHFFFAOYSA-N	0	0	473.532	7.292	40	5		JKBBRN
O=C(COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1)c1ccccc1	ZINC000409019724	570102554	/nfs/dbraw/zinc/10/25/54/570102554.db2.gz	XEWWJJPRSDOOGZ-UHFFFAOYSA-N	0	0	488.499	6.517	40	5		JKBBRN
C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])o1	ZINC000409019997	570102638	/nfs/dbraw/zinc/10/26/38/570102638.db2.gz	YOCPFGFGUIRXSJ-SNVBAGLBSA-N	0	0	469.306	5.155	40	5		JKBBRN
CC[C@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O	ZINC000409020335	570102722	/nfs/dbraw/zinc/10/27/22/570102722.db2.gz	OBQWGIDZSOCEFJ-YQCVNYCESA-N	0	0	462.527	6.162	40	5		JKBBRN
O=C(NCc1ccccc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409022954	570103489	/nfs/dbraw/zinc/10/34/89/570103489.db2.gz	JBMBOWYHJLOULP-UHFFFAOYSA-N	0	0	459.505	6.407	40	5		JKBBRN
O=C(NCCSCc1c(Cl)cccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000409028257	570105164	/nfs/dbraw/zinc/10/51/64/570105164.db2.gz	KLPPJTLDQHYJOV-HMMYKYKNSA-N	0	0	487.408	6.492	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000409051360	570109959	/nfs/dbraw/zinc/10/99/59/570109959.db2.gz	LFVUOFDIEOKGPK-UHFFFAOYSA-N	0	0	453.882	6.430	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CCOc1ccc(F)cc1	ZINC000409051073	570109965	/nfs/dbraw/zinc/10/99/65/570109965.db2.gz	IEYCWNUNLNGXQB-MOSHPQCFSA-N	0	0	454.435	5.109	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc([N+](=O)[O-])c1	ZINC000409051651	570110065	/nfs/dbraw/zinc/11/00/65/570110065.db2.gz	BVRPYVXIOVKRHS-UHFFFAOYSA-N	0	0	464.434	5.685	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc2ccccc21	ZINC000409053093	570110640	/nfs/dbraw/zinc/11/06/40/570110640.db2.gz	KKLLPLIOUIWCKD-UHFFFAOYSA-N	0	0	469.497	6.930	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000409053822	570110900	/nfs/dbraw/zinc/11/09/00/570110900.db2.gz	QKVGUZOEWPBAOX-UHFFFAOYSA-N	0	0	453.882	6.430	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000409054862	570111228	/nfs/dbraw/zinc/11/12/28/570111228.db2.gz	OFIDEPVJROJIIP-UHFFFAOYSA-N	0	0	498.879	6.338	40	5		JKBBRN
COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-]	ZINC000409057019	570112154	/nfs/dbraw/zinc/11/21/54/570112154.db2.gz	OJYZFYSEJXXZRT-UHFFFAOYSA-N	0	0	494.460	5.694	40	5		JKBBRN
CCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409057685	570112582	/nfs/dbraw/zinc/11/25/82/570112582.db2.gz	KQUNMCBCRFVTPZ-UNOMPAQXSA-N	0	0	491.363	5.773	40	5		JKBBRN
CCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O	ZINC000409067181	570116902	/nfs/dbraw/zinc/11/69/02/570116902.db2.gz	JTGPTZYHZFDJTK-UNOMPAQXSA-N	0	0	491.363	5.773	40	5		JKBBRN
CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O	ZINC000409070444	570118146	/nfs/dbraw/zinc/11/81/46/570118146.db2.gz	XPXSCPMETSWBSU-CXUHLZMHSA-N	0	0	453.303	5.537	40	5		JKBBRN
COc1ccccc1N1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O	ZINC000409075210	570119705	/nfs/dbraw/zinc/11/97/05/570119705.db2.gz	XKMIKRXTLVWEKM-OYKKKHCWSA-N	0	0	485.521	5.847	40	5		JKBBRN
O=C1N/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1C1CCCCC1	ZINC000409076957	570120313	/nfs/dbraw/zinc/12/03/13/570120313.db2.gz	CQAUDFHGJWCAPI-MOSHPQCFSA-N	0	0	455.898	5.053	40	5		JKBBRN
COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409092511	570125315	/nfs/dbraw/zinc/12/53/15/570125315.db2.gz	WPGFKGBHAGPBPO-NDENLUEZSA-N	0	0	485.924	5.061	40	5		JKBBRN
O=C1N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1Cc1ccccc1F	ZINC000409094570	570126088	/nfs/dbraw/zinc/12/60/88/570126088.db2.gz	DUAVQEXECVPMFZ-MFKUBSTISA-N	0	0	497.482	5.559	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409097307	570127094	/nfs/dbraw/zinc/12/70/94/570127094.db2.gz	MAZXXXINEGHDGU-WOJGMQOQSA-N	0	0	462.911	5.282	40	5		JKBBRN
CCN1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O	ZINC000409098845	570127708	/nfs/dbraw/zinc/12/77/08/570127708.db2.gz	QRGKDHFSWZIONX-GIJQJNRQSA-N	0	0	493.335	5.001	40	5		JKBBRN
Cc1cccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)c1	ZINC000409103627	570129328	/nfs/dbraw/zinc/12/93/28/570129328.db2.gz	ARIAZANJVWGDDC-UHFFFAOYSA-N	0	0	456.449	6.321	40	5		JKBBRN
CCc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1	ZINC000409105977	570130106	/nfs/dbraw/zinc/13/01/06/570130106.db2.gz	LWTRFCMJHFNWCE-UHFFFAOYSA-N	0	0	471.464	5.970	40	5		JKBBRN
CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409109673	570131732	/nfs/dbraw/zinc/13/17/32/570131732.db2.gz	JDAQXGWIDUNWRL-UHFFFAOYSA-N	0	0	461.345	6.800	40	5		JKBBRN
CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(OCC)cc3)c(=O)c2c1C	ZINC000409111229	570132264	/nfs/dbraw/zinc/13/22/64/570132264.db2.gz	AZSCGVJYBXPHCH-UHFFFAOYSA-N	0	0	495.626	6.307	40	5		JKBBRN
CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(Cl)cc3)c(=O)c2c1C	ZINC000409112462	570132653	/nfs/dbraw/zinc/13/26/53/570132653.db2.gz	GJOHGOPBOBLDRR-UHFFFAOYSA-N	0	0	486.018	6.562	40	5		JKBBRN
Cc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000409112675	570132782	/nfs/dbraw/zinc/13/27/82/570132782.db2.gz	FYGIXYYEDXIUJY-UHFFFAOYSA-N	0	0	461.743	6.510	40	5		JKBBRN
CCOc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409112783	570132795	/nfs/dbraw/zinc/13/27/95/570132795.db2.gz	DAMYCEFDSGJRKA-UHFFFAOYSA-N	0	0	457.324	5.947	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1	ZINC000409113357	570133065	/nfs/dbraw/zinc/13/30/65/570133065.db2.gz	AKGTVDNXEGJVTL-MHZLTWQESA-N	0	0	494.507	5.864	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1Cc1ccccc1	ZINC000409113936	570133234	/nfs/dbraw/zinc/13/32/34/570133234.db2.gz	OVVBFVTZJRISLF-MUUNZHRXSA-N	0	0	493.519	5.685	40	5		JKBBRN
Cc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000409116237	570134103	/nfs/dbraw/zinc/13/41/03/570134103.db2.gz	JTSYMAYUQKGTST-MUUNZHRXSA-N	0	0	463.537	6.265	40	5		JKBBRN
CCc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	ZINC000409116729	570134408	/nfs/dbraw/zinc/13/44/08/570134408.db2.gz	LZXQQEROHTUPDM-UHFFFAOYSA-N	0	0	471.351	6.119	40	5		JKBBRN
COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409119230	570135227	/nfs/dbraw/zinc/13/52/27/570135227.db2.gz	RYAGTCATFPOWMH-UHFFFAOYSA-N	0	0	457.324	5.865	40	5		JKBBRN
CCOc1cc(CNc2ccccc2CC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409121214	570135884	/nfs/dbraw/zinc/13/58/84/570135884.db2.gz	SYOZIHPBPKEMIP-UHFFFAOYSA-N	0	0	485.378	6.510	40	5		JKBBRN
CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c2ccccc21	ZINC000409121952	570136109	/nfs/dbraw/zinc/13/61/09/570136109.db2.gz	ZJCABSZBRAKALI-NDENLUEZSA-N	0	0	464.905	5.743	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409122721	570136471	/nfs/dbraw/zinc/13/64/71/570136471.db2.gz	BEVUVLHRQZPNJS-BUVRLJJBSA-N	0	0	496.585	6.189	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)NCc1ccco1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000409124190	570137097	/nfs/dbraw/zinc/13/70/97/570137097.db2.gz	AAXAXTIDZNHQIF-JJIBRWJFSA-N	0	0	467.481	5.297	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1CC1CCCCC1	ZINC000409125649	570137823	/nfs/dbraw/zinc/13/78/23/570137823.db2.gz	AHSKALDGFWXAHS-UFWORHAWSA-N	0	0	481.357	6.778	40	5		JKBBRN
COCCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O	ZINC000409126325	570138028	/nfs/dbraw/zinc/13/80/28/570138028.db2.gz	BPECMNJAZKFHFQ-HYARGMPZSA-N	0	0	464.499	5.010	40	5		JKBBRN
Cc1ccc(Cl)cc1N1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1	ZINC000409128393	570139104	/nfs/dbraw/zinc/13/91/04/570139104.db2.gz	FHLXUIRNGPNJAW-JJIBRWJFSA-N	0	0	461.949	5.446	40	5		JKBBRN
COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409137112	570142787	/nfs/dbraw/zinc/14/27/87/570142787.db2.gz	WJVBULBPSODXGQ-ZDLGFXPLSA-N	0	0	481.302	5.438	40	5		JKBBRN
CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1cccc([N+](=O)[O-])c1	ZINC000409137246	570142889	/nfs/dbraw/zinc/14/28/89/570142889.db2.gz	WDDBULUWNNJKPZ-UHFFFAOYSA-N	0	0	480.575	5.036	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1CCCc1ccccc1	ZINC000409138226	570143245	/nfs/dbraw/zinc/14/32/45/570143245.db2.gz	YYIOACZYKFZMRS-RCCKNPSSSA-N	0	0	461.499	5.451	40	5		JKBBRN
CCc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000409139478	570143858	/nfs/dbraw/zinc/14/38/58/570143858.db2.gz	BASWFBWIGBIAKS-GDLZYMKVSA-N	0	0	477.564	6.519	40	5		JKBBRN
O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CCCc1ccccc1	ZINC000409140097	570144108	/nfs/dbraw/zinc/14/41/08/570144108.db2.gz	DERRFONPBXNHGS-YZSQISJMSA-N	0	0	497.576	6.267	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1CCCc1ccccc1	ZINC000409148747	570148207	/nfs/dbraw/zinc/14/82/07/570148207.db2.gz	RDZARNDGOPOGLQ-KGENOOAVSA-N	0	0	468.918	6.177	40	5		JKBBRN
Cc1ccccc1OCc1nnc(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)o1	ZINC000409150096	570148909	/nfs/dbraw/zinc/14/89/09/570148909.db2.gz	AEJSOXMCCYAKEJ-UHFFFAOYSA-N	0	0	497.558	5.028	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000409153949	570150003	/nfs/dbraw/zinc/15/00/03/570150003.db2.gz	JBVCFVNEGGFTQB-FBHDLOMBSA-N	0	0	486.908	6.501	40	5		JKBBRN
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1	ZINC000409155347	570150484	/nfs/dbraw/zinc/15/04/84/570150484.db2.gz	IKOPLXNWNJCDBK-UDWIEESQSA-N	0	0	495.538	5.252	40	5		JKBBRN
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O	ZINC000409156627	570150708	/nfs/dbraw/zinc/15/07/08/570150708.db2.gz	LELJYNVCGWTCGE-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000409160118	570151767	/nfs/dbraw/zinc/15/17/67/570151767.db2.gz	XUPCAEWXEOTCKD-NHDPSOOVSA-N	0	0	495.488	5.286	40	5		JKBBRN
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	ZINC000409162763	570152476	/nfs/dbraw/zinc/15/24/76/570152476.db2.gz	HJUYVBABMBGQNJ-UDWIEESQSA-N	0	0	477.498	5.147	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000409168237	570153930	/nfs/dbraw/zinc/15/39/30/570153930.db2.gz	LTJRMFMOGACDEW-NHDPSOOVSA-N	0	0	452.463	5.847	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1	ZINC000409168996	570154332	/nfs/dbraw/zinc/15/43/32/570154332.db2.gz	OPINBHQFXBOSFN-NVNXTCNLSA-N	0	0	453.701	5.247	40	5		JKBBRN
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O	ZINC000409171718	570155064	/nfs/dbraw/zinc/15/50/64/570155064.db2.gz	FUISTOHOUCPSQH-UUYOSTAYSA-N	0	0	491.525	5.455	40	5		JKBBRN
Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000409171584	570155130	/nfs/dbraw/zinc/15/51/30/570155130.db2.gz	AGTAXOZZFSEWGP-RUZDIDTESA-N	0	0	480.904	5.443	40	5		JKBBRN
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1	ZINC000409172401	570155376	/nfs/dbraw/zinc/15/53/76/570155376.db2.gz	HHCJNQZBEKLEGM-FYJGNVAPSA-N	0	0	477.498	5.092	40	5		JKBBRN
O=C1NC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409172511	570155396	/nfs/dbraw/zinc/15/53/96/570155396.db2.gz	JPXQSFLWEUQFIX-YVLHZVERSA-N	0	0	488.681	5.368	40	5		JKBBRN
Cc1ccc(OCc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	ZINC000409173039	570155623	/nfs/dbraw/zinc/15/56/23/570155623.db2.gz	KVTLMLGKXZRZNX-UHFFFAOYSA-N	0	0	469.493	6.632	40	5		JKBBRN
O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	ZINC000409173400	570155751	/nfs/dbraw/zinc/15/57/51/570155751.db2.gz	MEGRNTZLETYONN-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
Cc1ccc(NCc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000409173967	570156059	/nfs/dbraw/zinc/15/60/59/570156059.db2.gz	QLMNCXPBEWTFCS-MUUNZHRXSA-N	0	0	480.520	6.296	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000409174846	570156359	/nfs/dbraw/zinc/15/63/59/570156359.db2.gz	VZJKRILYPQNWRY-UHFFFAOYSA-N	0	0	491.503	6.597	40	5		JKBBRN
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21	ZINC000260759380	570156764	/nfs/dbraw/zinc/15/67/64/570156764.db2.gz	GIUAJPMCSYTDJS-GBSMKCJWSA-N	0	0	450.520	5.238	40	5		JKBBRN
Cc1ccc(OCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000409175889	570156821	/nfs/dbraw/zinc/15/68/21/570156821.db2.gz	DDMWKQACKBJIRR-NDEPHWFRSA-N	0	0	481.504	6.263	40	5		JKBBRN
COc1cc(CNc2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409175961	570156859	/nfs/dbraw/zinc/15/68/59/570156859.db2.gz	GAIBCOBUSZXUPK-UHFFFAOYSA-N	0	0	452.816	6.680	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000409176128	570156969	/nfs/dbraw/zinc/15/69/69/570156969.db2.gz	HYRQHJQQINSRFT-AREMUKBSSA-N	0	0	480.476	5.628	40	5		JKBBRN
Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000409176383	570156980	/nfs/dbraw/zinc/15/69/80/570156980.db2.gz	MBCCNBRYYKJKLF-VWLOTQADSA-N	0	0	480.904	5.443	40	5		JKBBRN
CC(C)(C)c1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1	ZINC000409177107	570157426	/nfs/dbraw/zinc/15/74/26/570157426.db2.gz	ARKZFJRSYZUURB-SANMLTNESA-N	0	0	473.569	6.971	40	5		JKBBRN
O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000409177769	570157684	/nfs/dbraw/zinc/15/76/84/570157684.db2.gz	GYMBDXTZFFHNOP-UHFFFAOYSA-N	0	0	475.284	5.276	40	5		JKBBRN
O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1	ZINC000409178377	570157895	/nfs/dbraw/zinc/15/78/95/570157895.db2.gz	LRWOJPLGZYUVBS-UHFFFAOYSA-N	0	0	459.483	5.328	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000409178411	570157974	/nfs/dbraw/zinc/15/79/74/570157974.db2.gz	HLMBBLMBIDXVHK-FQEVSTJZSA-N	0	0	474.694	5.792	40	5		JKBBRN
COc1ccccc1OCc1ccc(C(=O)Oc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000409178996	570158091	/nfs/dbraw/zinc/15/80/91/570158091.db2.gz	MIUDCUZEKADELF-UHFFFAOYSA-N	0	0	471.465	6.194	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000409180128	570158697	/nfs/dbraw/zinc/15/86/97/570158697.db2.gz	VYATYFBUDLSNAD-SANMLTNESA-N	0	0	498.447	6.076	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000409180069	570158711	/nfs/dbraw/zinc/15/87/11/570158711.db2.gz	VEYDVAQAJTUFOX-NHDPSOOVSA-N	0	0	452.463	5.847	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)-c1ccccc1C2=O	ZINC000409179986	570158721	/nfs/dbraw/zinc/15/87/21/570158721.db2.gz	SKDKVGYJTZRDIA-MHZLTWQESA-N	0	0	463.445	5.587	40	5		JKBBRN
COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(Cl)cc2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000409180162	570158777	/nfs/dbraw/zinc/15/87/77/570158777.db2.gz	UQSAAWKXRLALSN-VWLOTQADSA-N	0	0	496.903	5.143	40	5		JKBBRN
Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000409180161	570158809	/nfs/dbraw/zinc/15/88/09/570158809.db2.gz	PUOIHZXMXKGFSI-UHFFFAOYSA-N	0	0	473.506	5.622	40	5		JKBBRN
Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000409180540	570158888	/nfs/dbraw/zinc/15/88/88/570158888.db2.gz	WOGYLFGOQUAUAY-XMMPIXPASA-N	0	0	476.872	5.993	40	5		JKBBRN
O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000409180583	570158891	/nfs/dbraw/zinc/15/88/91/570158891.db2.gz	XJAMSGKOBDRWEQ-XMMPIXPASA-N	0	0	466.877	5.134	40	5		JKBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	ZINC000409180668	570158948	/nfs/dbraw/zinc/15/89/48/570158948.db2.gz	YAAUJLLUUMVYSI-UHFFFAOYSA-N	0	0	461.477	6.229	40	5		JKBBRN
Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	ZINC000409180917	570159082	/nfs/dbraw/zinc/15/90/82/570159082.db2.gz	UVEPWPWKEGWSIS-UHFFFAOYSA-N	0	0	497.503	6.314	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cn2nnc3ccccc32)cc1	ZINC000409181081	570159192	/nfs/dbraw/zinc/15/91/92/570159192.db2.gz	VQVYGTJZUCAQRI-HHHXNRCGSA-N	0	0	492.491	5.169	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccccc2)nc2ccccc21	ZINC000409181064	570159228	/nfs/dbraw/zinc/15/92/28/570159228.db2.gz	VJCURPPFULZHOV-UHFFFAOYSA-N	0	0	476.488	6.959	40	5		JKBBRN
Cc1ccc(C(=O)COC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1[N+](=O)[O-]	ZINC000409181561	570159370	/nfs/dbraw/zinc/15/93/70/570159370.db2.gz	CONJZWNSQKKCSL-UHFFFAOYSA-N	0	0	484.302	5.284	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	ZINC000409181520	570159399	/nfs/dbraw/zinc/15/93/99/570159399.db2.gz	CLAUHTSOUHBMOK-HXUWFJFHSA-N	0	0	475.240	5.591	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409181643	570159465	/nfs/dbraw/zinc/15/94/65/570159465.db2.gz	DMUIDUYAYZQDAV-AREMUKBSSA-N	0	0	498.447	6.076	40	5		JKBBRN
O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1	ZINC000409181872	570159482	/nfs/dbraw/zinc/15/94/82/570159482.db2.gz	GDLAHVJOAOGSBB-DEOSSOPVSA-N	0	0	466.877	5.134	40	5		JKBBRN
O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000409182286	570159746	/nfs/dbraw/zinc/15/97/46/570159746.db2.gz	KACCECPDOVSFQI-UHFFFAOYSA-N	0	0	473.506	5.238	40	5		JKBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1	ZINC000409182385	570159868	/nfs/dbraw/zinc/15/98/68/570159868.db2.gz	KVUDAIIQWPTYLN-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
Cc1cccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)c2)c1	ZINC000409182803	570159936	/nfs/dbraw/zinc/15/99/36/570159936.db2.gz	OOSPUWPRVMDTKY-UHFFFAOYSA-N	0	0	487.533	5.931	40	5		JKBBRN
Cc1ccc(-c2cnc(NC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000409182916	570160083	/nfs/dbraw/zinc/16/00/83/570160083.db2.gz	QBJQXCAPRZOQBH-UHFFFAOYSA-N	0	0	479.539	5.112	40	5		JKBBRN
Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000409183667	570160146	/nfs/dbraw/zinc/16/01/46/570160146.db2.gz	UBCQVBBYYALGLO-HHHXNRCGSA-N	0	0	494.503	5.937	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000409183483	570160157	/nfs/dbraw/zinc/16/01/57/570160157.db2.gz	TVIBLOUWUPYBIQ-UHFFFAOYSA-N	0	0	470.437	6.242	40	5		JKBBRN
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl	ZINC000409183892	570160234	/nfs/dbraw/zinc/16/02/34/570160234.db2.gz	WCKSPYJVTCQRGN-WLRTZDKTSA-N	0	0	471.922	5.009	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000409184174	570160420	/nfs/dbraw/zinc/16/04/20/570160420.db2.gz	XSTVWBQNCBFLLX-UHFFFAOYSA-N	0	0	470.437	6.242	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1	ZINC000409184191	570160430	/nfs/dbraw/zinc/16/04/30/570160430.db2.gz	XWSJOMFJKNVFIA-MHZLTWQESA-N	0	0	451.478	5.894	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409189604	570161498	/nfs/dbraw/zinc/16/14/98/570161498.db2.gz	RJUAYUSUBSPLDG-ZDLGFXPLSA-N	0	0	461.282	6.403	40	5		JKBBRN
O=C1N/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1	ZINC000409193513	570162728	/nfs/dbraw/zinc/16/27/28/570162728.db2.gz	FAKYNTRDLLBWHR-XDHOZWIPSA-N	0	0	483.402	5.499	40	5		JKBBRN
O=C1N/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1	ZINC000409194044	570163020	/nfs/dbraw/zinc/16/30/20/570163020.db2.gz	KQAPNOQINWFNSV-LDADJPATSA-N	0	0	483.402	5.499	40	5		JKBBRN
Cc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(Br)cc1	ZINC000409196028	570163546	/nfs/dbraw/zinc/16/35/46/570163546.db2.gz	MKTOWVBCDSJUKO-UZYVYHOESA-N	0	0	466.744	5.127	40	5		JKBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O	ZINC000409196177	570163614	/nfs/dbraw/zinc/16/36/14/570163614.db2.gz	ZJOYYGQIUKTIEN-DRXPRRSGSA-N	0	0	474.856	5.212	40	5		JKBBRN
Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1	ZINC000409196703	570163692	/nfs/dbraw/zinc/16/36/92/570163692.db2.gz	YRQXUICUHWGSTM-LCUIJRPUSA-N	0	0	463.946	6.032	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Br)cc1	ZINC000409197292	570163900	/nfs/dbraw/zinc/16/39/00/570163900.db2.gz	ATMZHOKUETXDBK-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
Cc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(Br)cc1	ZINC000409199161	570164456	/nfs/dbraw/zinc/16/44/56/570164456.db2.gz	HHZXXQJPIUUMLQ-UZYVYHOESA-N	0	0	466.744	5.127	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409199928	570164871	/nfs/dbraw/zinc/16/48/71/570164871.db2.gz	FTQAGFOAXAHSEX-KGENOOAVSA-N	0	0	450.472	5.142	40	5		JKBBRN
COCCN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O	ZINC000409199985	570164897	/nfs/dbraw/zinc/16/48/97/570164897.db2.gz	GHOHGBPBMNMAQP-LICLKQGHSA-N	0	0	468.409	5.089	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Br)cc3)cc2Cl)cc1	ZINC000409201804	570165613	/nfs/dbraw/zinc/16/56/13/570165613.db2.gz	YHOKEJWAYWXZHV-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409202720	570166124	/nfs/dbraw/zinc/16/61/24/570166124.db2.gz	UJBWFBQBIWVFBP-WSDLNYQXSA-N	0	0	491.525	5.455	40	5		JKBBRN
COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409203964	570166549	/nfs/dbraw/zinc/16/65/49/570166549.db2.gz	AHDJTPWJWBSJNG-UHFFFAOYSA-N	0	0	467.736	6.755	40	5		JKBBRN
Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1C	ZINC000409205241	570166894	/nfs/dbraw/zinc/16/68/94/570166894.db2.gz	GQYABLNALAQQOK-QPLCGJKRSA-N	0	0	488.525	5.595	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Br)cc2)cc1	ZINC000409205305	570167022	/nfs/dbraw/zinc/16/70/22/570167022.db2.gz	HACVSLXKBWPUCM-UHFFFAOYSA-N	0	0	492.167	6.311	40	5		JKBBRN
Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	ZINC000409205786	570167063	/nfs/dbraw/zinc/16/70/63/570167063.db2.gz	FSFGBKXZTNJTQE-FLWNBWAVSA-N	0	0	491.572	6.737	40	5		JKBBRN
Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000409206872	570167488	/nfs/dbraw/zinc/16/74/88/570167488.db2.gz	MSRYJTAOPZFKIT-BZZOAKBMSA-N	0	0	494.916	5.632	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409208466	570168249	/nfs/dbraw/zinc/16/82/49/570168249.db2.gz	CIMFVMAXFXWNCT-CIAFOILYSA-N	0	0	491.525	5.455	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1CCc1ccccc1	ZINC000409208810	570168476	/nfs/dbraw/zinc/16/84/76/570168476.db2.gz	CGDLNLHFPUTZPY-DEDYPNTBSA-N	0	0	454.891	5.787	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1	ZINC000409210495	570169471	/nfs/dbraw/zinc/16/94/71/570169471.db2.gz	JEZSVIOGGCKIID-CIAFOILYSA-N	0	0	466.902	6.068	40	5		JKBBRN
Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21	ZINC000261829855	570170581	/nfs/dbraw/zinc/17/05/81/570170581.db2.gz	UZEAWJJXHFUBFP-MIQGZIFGSA-N	0	0	469.932	5.669	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1cccc(Cl)c1	ZINC000409212924	570170761	/nfs/dbraw/zinc/17/07/61/570170761.db2.gz	SGPMWCZTKIEVLB-VCHYOVAHSA-N	0	0	461.282	6.403	40	5		JKBBRN
COc1cc2ccc3c(CCN(C)C(=O)c4ccccc4)cc(OC)c(OC)c3c2cc1OC	ZINC000263585493	570171054	/nfs/dbraw/zinc/17/10/54/570171054.db2.gz	JGLUCFTZNIFUQE-UHFFFAOYSA-N	0	0	459.542	5.342	40	5	biogenic	JKBBRN
CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409216136	570172589	/nfs/dbraw/zinc/17/25/89/570172589.db2.gz	ICIOPYKVHVJRCS-JCMHNJIXSA-N	0	0	491.525	5.460	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1	ZINC000409216685	570172782	/nfs/dbraw/zinc/17/27/82/570172782.db2.gz	NXUJCINTSGCIIF-YBFXNURJSA-N	0	0	456.863	5.758	40	5		JKBBRN
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O	ZINC000409218268	570173479	/nfs/dbraw/zinc/17/34/79/570173479.db2.gz	ZUPSYBYUSZGYPT-APSNUPSMSA-N	0	0	480.329	5.193	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c(Br)c1	ZINC000409237107	570180247	/nfs/dbraw/zinc/18/02/47/570180247.db2.gz	IZRZBEASYYIECP-ODLFYWEKSA-N	0	0	482.290	5.019	40	5		JKBBRN
CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O	ZINC000409239591	570181253	/nfs/dbraw/zinc/18/12/53/570181253.db2.gz	ZMDLORVBSFAMHH-LICLKQGHSA-N	0	0	452.410	5.852	40	5		JKBBRN
O=[N+]([O-])c1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)ccc1F	ZINC000329008103	570181405	/nfs/dbraw/zinc/18/14/05/570181405.db2.gz	LPCFPLIWYRAHBM-UHFFFAOYSA-N	0	0	491.445	5.422	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1Cl	ZINC000409240192	570181543	/nfs/dbraw/zinc/18/15/43/570181543.db2.gz	OYVSROVVBBVMPY-YBFXNURJSA-N	0	0	483.889	5.183	40	5		JKBBRN
Cc1ccc(CN2C(=O)N/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1	ZINC000409240561	570181769	/nfs/dbraw/zinc/18/17/69/570181769.db2.gz	QMMNLCGHLQLWNA-WGOQTCKBSA-N	0	0	493.519	5.728	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1	ZINC000409241068	570181865	/nfs/dbraw/zinc/18/18/65/570181865.db2.gz	NCVQDMRTOOOVSV-HMAPJEAMSA-N	0	0	462.552	6.291	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1cccc(F)c1	ZINC000409243650	570183113	/nfs/dbraw/zinc/18/31/13/570183113.db2.gz	ZJJLNULAARWKQX-OEAKJJBVSA-N	0	0	456.498	5.807	40	5		JKBBRN
O=C1NC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1	ZINC000409246462	570184476	/nfs/dbraw/zinc/18/44/76/570184476.db2.gz	IUAPFLJJALMHDC-LPYMAVHISA-N	0	0	472.888	5.349	40	5		JKBBRN
CCOc1cc(-c2nc3ccccc3s2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409251636	570185865	/nfs/dbraw/zinc/18/58/65/570185865.db2.gz	ATNXTJPJGARTEB-UHFFFAOYSA-N	0	0	460.433	7.081	40	5		JKBBRN
Cc1ccc(Sc2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1	ZINC000408528790	570186946	/nfs/dbraw/zinc/18/69/46/570186946.db2.gz	HCLTVDXWIKGZHF-UCQKPKSFSA-N	0	0	490.562	5.974	40	5		JKBBRN
O=c1[nH]c(-c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2sc3c(c21)CCCC3	ZINC000409261041	570187592	/nfs/dbraw/zinc/18/75/92/570187592.db2.gz	AJSIEUGVLWTIEU-UHFFFAOYSA-N	0	0	464.459	5.551	40	5		JKBBRN
O=c1[nH]c(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)nc2sc3c(c21)CCCC3	ZINC000409265724	570188351	/nfs/dbraw/zinc/18/83/51/570188351.db2.gz	OEZHARAXERZLHG-UHFFFAOYSA-N	0	0	487.459	6.662	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1	ZINC000409267574	570188724	/nfs/dbraw/zinc/18/87/24/570188724.db2.gz	OCJTWFRGNPRFAM-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
O=c1[nH]c(-c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2sc3c(c21)CCCC3	ZINC000409267766	570188755	/nfs/dbraw/zinc/18/87/55/570188755.db2.gz	XNBAAOIOBDBPTQ-UHFFFAOYSA-N	0	0	487.459	6.662	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1cccc2ccccc21	ZINC000409272990	570189399	/nfs/dbraw/zinc/18/93/99/570189399.db2.gz	OXUATZPNGOGPJF-OEAKJJBVSA-N	0	0	499.504	5.683	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc21	ZINC000409276226	570189949	/nfs/dbraw/zinc/18/99/49/570189949.db2.gz	YZOASSLVORPZLV-HAHDFKILSA-N	0	0	498.520	5.214	40	5		JKBBRN
COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408542384	570191843	/nfs/dbraw/zinc/19/18/43/570191843.db2.gz	IUPPUNFMBJBKFH-YVMONPNESA-N	0	0	490.266	5.320	40	5		JKBBRN
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1	ZINC000408543670	570192072	/nfs/dbraw/zinc/19/20/72/570192072.db2.gz	PVKJGOBROJBWMW-RMKNXTFCSA-N	0	0	477.286	5.941	40	5		JKBBRN
CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	ZINC000408552925	570195649	/nfs/dbraw/zinc/19/56/49/570195649.db2.gz	LRTOAWYKRAKJDQ-UHFFFAOYSA-N	0	0	485.334	5.896	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2Cl)cc1	ZINC000408553680	570195910	/nfs/dbraw/zinc/19/59/10/570195910.db2.gz	BJJDDYLTLQCTHU-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1	ZINC000408553835	570196011	/nfs/dbraw/zinc/19/60/11/570196011.db2.gz	BKLUGVTYUNHPHV-UHFFFAOYSA-N	0	0	455.898	5.277	40	5		JKBBRN
O=C1CS[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N1c1ccc(Cl)cc1	ZINC000408554983	570196646	/nfs/dbraw/zinc/19/66/46/570196646.db2.gz	GNRHLPRMPMCZHI-JOCHJYFZSA-N	0	0	475.353	6.259	40	5		JKBBRN
CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408555731	570196963	/nfs/dbraw/zinc/19/69/63/570196963.db2.gz	IDVTVGWBRLAAHK-DEOSSOPVSA-N	0	0	484.961	6.005	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)c1	ZINC000408556554	570197509	/nfs/dbraw/zinc/19/75/09/570197509.db2.gz	JMTOGDTXWKJPGR-UHFFFAOYSA-N	0	0	453.325	7.246	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408557225	570198022	/nfs/dbraw/zinc/19/80/22/570198022.db2.gz	NWWKMNSJLCKDIH-UHFFFAOYSA-N	0	0	457.870	5.746	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)c1	ZINC000408557463	570198161	/nfs/dbraw/zinc/19/81/61/570198161.db2.gz	NRQOQXVNPJHASE-UHFFFAOYSA-N	0	0	453.325	7.246	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1	ZINC000408557378	570198211	/nfs/dbraw/zinc/19/82/11/570198211.db2.gz	NATZTIMOMBXTQG-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1	ZINC000408557910	570198655	/nfs/dbraw/zinc/19/86/55/570198655.db2.gz	QNOXIDBTEGXHHZ-UHFFFAOYSA-N	0	0	457.324	5.947	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408558180	570198798	/nfs/dbraw/zinc/19/87/98/570198798.db2.gz	QHVJRVCPSAVBMM-UHFFFAOYSA-N	0	0	477.395	6.325	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	ZINC000408559067	570199454	/nfs/dbraw/zinc/19/94/54/570199454.db2.gz	UGTCDEGUNKVMJN-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(Br)cc2)c1	ZINC000408559459	570199791	/nfs/dbraw/zinc/19/97/91/570199791.db2.gz	ZVQWAPKOTNYDER-UHFFFAOYSA-N	0	0	492.167	6.311	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408560104	570200190	/nfs/dbraw/zinc/20/01/90/570200190.db2.gz	BYPRLPMLHBJITD-FLFQWRMESA-N	0	0	464.374	6.145	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408560354	570200326	/nfs/dbraw/zinc/20/03/26/570200326.db2.gz	YWWLMQJEVKLUGD-UHFFFAOYSA-N	0	0	454.395	5.214	40	5		JKBBRN
CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408561090	570200798	/nfs/dbraw/zinc/20/07/98/570200798.db2.gz	GNKWIHKLOKCUNP-QOCHGBHMSA-N	0	0	480.771	5.610	40	5		JKBBRN
Cc1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000409319379	570200904	/nfs/dbraw/zinc/20/09/04/570200904.db2.gz	FFFQKYSSCIBOEI-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1	ZINC000408563000	570202002	/nfs/dbraw/zinc/20/20/02/570202002.db2.gz	SSUAWBQQLPPPIA-GYHWCHFESA-N	0	0	459.955	5.500	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408564099	570202456	/nfs/dbraw/zinc/20/24/56/570202456.db2.gz	XROPYCOGMJITLJ-LVWGJNHUSA-N	0	0	494.400	6.154	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408564105	570202520	/nfs/dbraw/zinc/20/25/20/570202520.db2.gz	XTQNRPPZVYPKLD-FLFQWRMESA-N	0	0	464.374	6.145	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	ZINC000408564477	570202695	/nfs/dbraw/zinc/20/26/95/570202695.db2.gz	DDMNBCGEEMQPKF-MQVPCNEGSA-N	0	0	498.366	5.094	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	ZINC000408564673	570202710	/nfs/dbraw/zinc/20/27/10/570202710.db2.gz	DNSIGFNSTHVEOC-VPHKFGTKSA-N	0	0	498.366	5.094	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1	ZINC000408564863	570202888	/nfs/dbraw/zinc/20/28/88/570202888.db2.gz	APCWFLLEEYIMDQ-XMMPIXPASA-N	0	0	476.558	5.273	40	5		JKBBRN
CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1	ZINC000408564859	570202908	/nfs/dbraw/zinc/20/29/08/570202908.db2.gz	AOVGLHRTOMNNDI-SFHVURJKSA-N	0	0	497.802	5.500	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1F	ZINC000408565137	570203042	/nfs/dbraw/zinc/20/30/42/570203042.db2.gz	BHMSTYBRXZAFJI-FQEVSTJZSA-N	0	0	468.912	6.347	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1cccc(C)c1	ZINC000408565241	570203168	/nfs/dbraw/zinc/20/31/68/570203168.db2.gz	BLDDTZGMCXUHHH-DEOSSOPVSA-N	0	0	495.004	6.227	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1cccc(C)c1	ZINC000408565236	570203218	/nfs/dbraw/zinc/20/32/18/570203218.db2.gz	BKSRCURFGSTAMN-DEOSSOPVSA-N	0	0	460.559	5.573	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(Cl)cc1	ZINC000408565656	570203459	/nfs/dbraw/zinc/20/34/59/570203459.db2.gz	CRCNMKGRVCYASF-QHCPKHFHSA-N	0	0	480.977	5.918	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(F)cc1	ZINC000408565904	570203521	/nfs/dbraw/zinc/20/35/21/570203521.db2.gz	DDYZQGLAODNBEI-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1	ZINC000409329895	570203740	/nfs/dbraw/zinc/20/37/40/570203740.db2.gz	INZLZTSGSMAUSL-LPYMAVHISA-N	0	0	491.525	5.653	40	5		JKBBRN
CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC	ZINC000408566369	570203776	/nfs/dbraw/zinc/20/37/76/570203776.db2.gz	FLZHQZSUXRAFDW-HXUWFJFHSA-N	0	0	462.959	5.137	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	ZINC000408566628	570203884	/nfs/dbraw/zinc/20/38/84/570203884.db2.gz	FTYIQMDONJQNFG-LJQANCHMSA-N	0	0	475.759	7.116	40	5		JKBBRN
CCCN(Cc1ccccc1)C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000409330913	570204198	/nfs/dbraw/zinc/20/41/98/570204198.db2.gz	ATEDFYXXGZFESI-UHFFFAOYSA-N	0	0	457.537	5.932	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1	ZINC000408569069	570204267	/nfs/dbraw/zinc/20/42/67/570204267.db2.gz	IPHNILGDYLZWBV-NRFANRHFSA-N	0	0	495.373	6.317	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccccc1	ZINC000408569078	570204272	/nfs/dbraw/zinc/20/42/72/570204272.db2.gz	IRJRGZPLUYAFHK-QHCPKHFHSA-N	0	0	480.977	5.918	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(Cl)cc1	ZINC000408569132	570204363	/nfs/dbraw/zinc/20/43/63/570204363.db2.gz	IYKCPTVFSISKBH-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408569218	570204390	/nfs/dbraw/zinc/20/43/90/570204390.db2.gz	JCYKQPZQQLYZPQ-HXUWFJFHSA-N	0	0	481.892	5.726	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(F)cc1	ZINC000408569563	570204391	/nfs/dbraw/zinc/20/43/91/570204391.db2.gz	JNVPXKFDLBSOPO-DEOSSOPVSA-N	0	0	494.548	5.413	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1Cl	ZINC000408569213	570204401	/nfs/dbraw/zinc/20/44/01/570204401.db2.gz	JCRSMCPTJWAIMK-LJQANCHMSA-N	0	0	471.340	6.471	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Br)cc1	ZINC000408569844	570204445	/nfs/dbraw/zinc/20/44/45/570204445.db2.gz	JYFWXQHVYZOBEV-QFIPXVFZSA-N	0	0	495.373	6.317	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1cccc(F)c1	ZINC000408569983	570204467	/nfs/dbraw/zinc/20/44/67/570204467.db2.gz	KMQZWFWJYXXPRR-NRFANRHFSA-N	0	0	469.310	6.057	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccccc1	ZINC000408570003	570204501	/nfs/dbraw/zinc/20/45/01/570204501.db2.gz	KNXDKMHJYPADPW-QHCPKHFHSA-N	0	0	480.977	5.918	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1	ZINC000408570602	570204588	/nfs/dbraw/zinc/20/45/88/570204588.db2.gz	LNDOFXBEJYIHOC-RUZDIDTESA-N	0	0	490.585	5.664	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1	ZINC000408571069	570204600	/nfs/dbraw/zinc/20/46/00/570204600.db2.gz	NFSNIXCRVKLVET-DEOSSOPVSA-N	0	0	494.548	5.413	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(F)cc2)c(Br)c1	ZINC000408570872	570204601	/nfs/dbraw/zinc/20/46/01/570204601.db2.gz	MCVMAFAHPYUFTG-HXUWFJFHSA-N	0	0	469.310	6.057	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1	ZINC000408571038	570204634	/nfs/dbraw/zinc/20/46/34/570204634.db2.gz	MZGAXQUSWZUOML-QFIPXVFZSA-N	0	0	450.922	6.208	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccccc1F	ZINC000408571336	570204722	/nfs/dbraw/zinc/20/47/22/570204722.db2.gz	OJYJYJWQMRKAAF-HXUWFJFHSA-N	0	0	469.310	6.057	40	5		JKBBRN
CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1	ZINC000408571403	570204762	/nfs/dbraw/zinc/20/47/62/570204762.db2.gz	OQEVHBHUUJTOCK-FQEVSTJZSA-N	0	0	491.411	5.464	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccccc1	ZINC000408571329	570204765	/nfs/dbraw/zinc/20/47/65/570204765.db2.gz	OJLVOUIQJLTLPR-DEOSSOPVSA-N	0	0	460.559	5.573	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1cccc(C)c1	ZINC000408571907	570204829	/nfs/dbraw/zinc/20/48/29/570204829.db2.gz	PVERCBBXMOHRLZ-DEOSSOPVSA-N	0	0	460.559	5.573	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccccc1	ZINC000408572018	570204874	/nfs/dbraw/zinc/20/48/74/570204874.db2.gz	QKIZRXCFBQTKME-HHHXNRCGSA-N	0	0	496.592	6.418	40	5		JKBBRN
COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC	ZINC000408572138	570204897	/nfs/dbraw/zinc/20/48/97/570204897.db2.gz	QRLRIQWHWIXBMG-SFHVURJKSA-N	0	0	469.350	5.010	40	5		JKBBRN
Cc1ccc(COc2c(Cl)cc([C@@H](C[N+](=O)[O-])c3c[nH]c4ccccc43)cc2Cl)cc1	ZINC000408572431	570204944	/nfs/dbraw/zinc/20/49/44/570204944.db2.gz	RDSZWQBJPRPOBF-HXUWFJFHSA-N	0	0	455.341	6.771	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(C)cc1	ZINC000408572373	570204972	/nfs/dbraw/zinc/20/49/72/570204972.db2.gz	QYSDFXHQVGDYMS-XMMPIXPASA-N	0	0	460.559	5.573	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1cccc(C)c1	ZINC000408572452	570204975	/nfs/dbraw/zinc/20/49/75/570204975.db2.gz	RFIKWMQFOJDMEN-DEOSSOPVSA-N	0	0	495.004	6.227	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1cccc(F)c1	ZINC000408572983	570205037	/nfs/dbraw/zinc/20/50/37/570205037.db2.gz	RZZJTMCGZCGAGC-FQEVSTJZSA-N	0	0	454.885	5.957	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(F)cc1	ZINC000408573035	570205060	/nfs/dbraw/zinc/20/50/60/570205060.db2.gz	SFUOQLMLOHJCKA-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccccc1	ZINC000408573102	570205102	/nfs/dbraw/zinc/20/51/02/570205102.db2.gz	SLVJZYGJSOTUND-HSZRJFAPSA-N	0	0	464.522	5.404	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1cccc(C)c1	ZINC000408573114	570205114	/nfs/dbraw/zinc/20/51/14/570205114.db2.gz	SNCOUOVKKJHQRI-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)N1CCCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408573370	570205155	/nfs/dbraw/zinc/20/51/55/570205155.db2.gz	CXIJXWLXALMXIS-LKUDQCMESA-N	0	0	469.541	5.790	40	5		JKBBRN
COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1	ZINC000408573690	570205211	/nfs/dbraw/zinc/20/52/11/570205211.db2.gz	UDDATKIBTZPWNG-IBGZPJMESA-N	0	0	477.384	5.074	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1	ZINC000408574008	570205300	/nfs/dbraw/zinc/20/53/00/570205300.db2.gz	UJWVNKZOQUCUAE-DEOSSOPVSA-N	0	0	494.548	5.413	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1cccc(C)c1	ZINC000408574037	570205351	/nfs/dbraw/zinc/20/53/51/570205351.db2.gz	ULNYRGHOFWLFQJ-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1Cl	ZINC000408574497	570205390	/nfs/dbraw/zinc/20/53/90/570205390.db2.gz	UYWNDFRIMZTASY-HXUWFJFHSA-N	0	0	471.340	6.471	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccccc1	ZINC000408574459	570205393	/nfs/dbraw/zinc/20/53/93/570205393.db2.gz	UVQOKGJONBWBCV-HSZRJFAPSA-N	0	0	464.522	5.404	40	5		JKBBRN
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000408574812	570205508	/nfs/dbraw/zinc/20/55/08/570205508.db2.gz	DNAWRCXUQAUMGF-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccccc1	ZINC000408575372	570205659	/nfs/dbraw/zinc/20/56/59/570205659.db2.gz	WAWDPYUASPGRKP-QHCPKHFHSA-N	0	0	464.522	5.404	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1cccc(C)c1	ZINC000408576030	570205763	/nfs/dbraw/zinc/20/57/63/570205763.db2.gz	XETIBPGPJAOIQS-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408576421	570205932	/nfs/dbraw/zinc/20/59/32/570205932.db2.gz	UPOQZOIFFVYFSK-UHFFFAOYSA-N	0	0	481.917	5.455	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1	ZINC000408577041	570206079	/nfs/dbraw/zinc/20/60/79/570206079.db2.gz	YMFDFSVBWLAXOJ-DEOSSOPVSA-N	0	0	476.558	5.273	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)cc1	ZINC000408577271	570206106	/nfs/dbraw/zinc/20/61/06/570206106.db2.gz	YWXNYXWNXIQNGR-VWLOTQADSA-N	0	0	490.585	5.582	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(F)cc1	ZINC000408577775	570206198	/nfs/dbraw/zinc/20/61/98/570206198.db2.gz	ZVPPATJEXNAQLO-QHCPKHFHSA-N	0	0	464.522	5.404	40	5		JKBBRN
Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1	ZINC000408580654	570206635	/nfs/dbraw/zinc/20/66/35/570206635.db2.gz	DNDNVRRJUFHRCO-UHFFFAOYSA-N	0	0	462.453	5.418	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O	ZINC000001166669	194057950	/nfs/dbraw/zinc/05/79/50/194057950.db2.gz	PXKSZLNWUBATKZ-KWUUDPFMSA-N	0	0	462.505	5.327	40	5		JKBBRN
Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)Nc1ccc(N(C)C)cc1	ZINC000001327822	194088299	/nfs/dbraw/zinc/08/82/99/194088299.db2.gz	KGNIUHGLDSNRMV-UHFFFAOYSA-N	0	0	459.600	5.498	40	5		JKBBRN
Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)Nc4ccc(N(C)C)cc4)c3cc2c1	ZINC000001327824	194088212	/nfs/dbraw/zinc/08/82/12/194088212.db2.gz	RQUZRUPTQFOWGR-UHFFFAOYSA-N	0	0	473.627	5.806	40	5		JKBBRN
O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc2c(c(Cl)c1)-c1ccc(Cl)cc1C2	ZINC000001715672	194131952	/nfs/dbraw/zinc/13/19/52/194131952.db2.gz	OHRLDETYMRUJJQ-UHFFFAOYSA-N	0	0	456.328	6.382	40	5		JKBBRN
O=c1c2cc(Cl)ccc2c2ccc(Cl)cc2c(=O)n1-c1ccc2c(c1)Cc1ccccc1-2	ZINC000001719581	194132274	/nfs/dbraw/zinc/13/22/74/194132274.db2.gz	RSXRMWZFBPMNPO-UHFFFAOYSA-N	0	0	456.328	6.382	40	5		JKBBRN
Cc1nc2ccccc2nc1-c1cc(-c2nc3ccccc3nc2C)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003844559	194364085	/nfs/dbraw/zinc/36/40/85/194364085.db2.gz	RCYDBPRSFKATPX-UHFFFAOYSA-N	0	0	452.430	5.340	40	5		JKBBRN
O=[N+]([O-])c1cc([C@@H](O)Cc2ccc3ccccc3n2)ccc1[C@H](O)Cc1ccc2ccccc2n1	ZINC000003845188	194364122	/nfs/dbraw/zinc/36/41/22/194364122.db2.gz	NQCMQHOPGXXXNG-WUFINQPMSA-N	0	0	465.509	5.243	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Br)c2ccccc2)cc1/C=C/c1ccccc1	ZINC000003845001	194364148	/nfs/dbraw/zinc/36/41/48/194364148.db2.gz	IZUCMCYILUILLB-IICJTNPGSA-N	0	0	451.276	6.566	40	5		JKBBRN
C/C(=C\c1cc(/C=C(\C)OC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])OC(=O)c1ccccc1	ZINC000003844557	194364154	/nfs/dbraw/zinc/36/41/54/194364154.db2.gz	VNMOPYYZCZBUIK-HBKJEHTGSA-N	0	0	488.452	5.939	40	5		JKBBRN
CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1[N+](=O)[O-]	ZINC000012633701	195065671	/nfs/dbraw/zinc/06/56/71/195065671.db2.gz	FGKMGHOJHWPQOV-XUMWYHAOSA-N	0	0	452.576	5.492	40	5		JKBBRN
CCCc1nnc2sc(-c3cccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)nn12	ZINC000020609670	195182794	/nfs/dbraw/zinc/18/27/94/195182794.db2.gz	SFCRNLICRXTSTN-UHFFFAOYSA-N	0	0	498.977	5.834	40	5		JKBBRN
COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610060	195182994	/nfs/dbraw/zinc/18/29/94/195182994.db2.gz	VBTQWBCTRPZOOG-UHFFFAOYSA-N	0	0	469.457	5.158	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(Cl)cc5)nc4cc3C)o2)c([N+](=O)[O-])c1	ZINC000020611002	195184573	/nfs/dbraw/zinc/18/45/73/195184573.db2.gz	SLUVEIVPVVLPDT-UHFFFAOYSA-N	0	0	487.903	6.111	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(F)cc5)nc4cc3C)o2)c([N+](=O)[O-])c1	ZINC000020611143	195184957	/nfs/dbraw/zinc/18/49/57/195184957.db2.gz	YCEPXYUARDTANO-UHFFFAOYSA-N	0	0	471.448	5.597	40	5		JKBBRN
COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020611288	195184975	/nfs/dbraw/zinc/18/49/75/195184975.db2.gz	PIFCYWRWSPEVRN-UHFFFAOYSA-N	0	0	483.484	5.466	40	5		JKBBRN
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1	ZINC000020797515	195225952	/nfs/dbraw/zinc/22/59/52/195225952.db2.gz	HWBHHFRIBARWEK-JOCHJYFZSA-N	0	0	494.338	6.179	40	5		JKBBRN
CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000020970191	195257807	/nfs/dbraw/zinc/25/78/07/195257807.db2.gz	UCXASOFYOQXDGY-DEOSSOPVSA-N	0	0	453.502	5.435	40	5		JKBBRN
CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000021576596	195315444	/nfs/dbraw/zinc/31/54/44/195315444.db2.gz	MWMFPJHLJCUMSL-WEVVVXLNSA-N	0	0	491.375	5.002	40	5		JKBBRN
Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000021578671	195316488	/nfs/dbraw/zinc/31/64/88/195316488.db2.gz	KSODZNRDDHLRSG-UHFFFAOYSA-N	0	0	491.956	7.449	40	5		JKBBRN
COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)ccc3o2)c1	ZINC000021579371	195316872	/nfs/dbraw/zinc/31/68/72/195316872.db2.gz	NBBVZLMIOSKMBR-UHFFFAOYSA-N	0	0	485.452	5.933	40	5		JKBBRN
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2C(N)=O)C1	ZINC000021596045	195318349	/nfs/dbraw/zinc/31/83/49/195318349.db2.gz	NCEPRHFRNFPIBG-JTQLQIEISA-N	0	0	492.022	6.027	40	5		JKBBRN
CC1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000021596011	195318372	/nfs/dbraw/zinc/31/83/72/195318372.db2.gz	BOEHPDDMJLNYRT-UHFFFAOYSA-N	0	0	471.001	5.973	40	5		JKBBRN
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000059057409	195387212	/nfs/dbraw/zinc/38/72/12/195387212.db2.gz	ZRIJRJOMRGBASX-UHFFFAOYSA-N	0	0	473.876	5.803	40	5		JKBBRN
CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(CCC(c3ccc(C)cc3)=NN2c2ccccc2)S1	ZINC000059120567	195389282	/nfs/dbraw/zinc/38/92/82/195389282.db2.gz	QBQAENDSDALWRX-SANMLTNESA-N	0	0	485.569	5.717	40	5		JKBBRN
COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1cccs1	ZINC000059294265	195396899	/nfs/dbraw/zinc/39/68/99/195396899.db2.gz	ZVCLYEUXYMVKKK-JLHYYAGUSA-N	0	0	489.509	5.829	40	5		JKBBRN
CC1=NN(c2ccccc2)[C@]2(SC=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21	ZINC000059482985	195404989	/nfs/dbraw/zinc/40/49/89/195404989.db2.gz	IWKFZBLSNGJXQH-JOCHJYFZSA-N	0	0	460.475	5.054	40	5		JKBBRN
CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)c5ccccc5O4)cc3[N+](=O)[O-])sc2c1	ZINC000059488123	195406588	/nfs/dbraw/zinc/40/65/88/195406588.db2.gz	AMCMVHSJZTUCBD-JOCHJYFZSA-N	0	0	479.539	5.575	40	5		JKBBRN
COc1ccc(-c2nnc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)n2-c2ccccc2)cc1	ZINC000059489572	195406851	/nfs/dbraw/zinc/40/68/51/195406851.db2.gz	JXTBJLHPQYHPCL-UHFFFAOYSA-N	0	0	457.515	5.625	40	5		JKBBRN
Cc1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)c3ccccc32)cc1	ZINC000106722500	195460489	/nfs/dbraw/zinc/46/04/89/195460489.db2.gz	NAZKXQWBFWBMKJ-QFEZKATASA-N	0	0	483.549	6.143	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br	ZINC000106725858	195460867	/nfs/dbraw/zinc/46/08/67/195460867.db2.gz	BWOWVCFZTRAUHP-NVNXTCNLSA-N	0	0	498.152	5.356	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106728336	195460963	/nfs/dbraw/zinc/46/09/63/195460963.db2.gz	JPLJGDZTIVGXMS-UUASQNMZSA-N	0	0	454.247	5.046	40	5		JKBBRN
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000036408651	519803384	/nfs/dbraw/zinc/80/33/84/519803384.db2.gz	HXLDLGPOKADBKW-SJWGOKEGSA-N	0	0	466.793	5.890	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022537503	521264620	/nfs/dbraw/zinc/26/46/20/521264620.db2.gz	BVPHRYRSRVWEPL-SDNWHVSQSA-N	0	0	455.518	5.632	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1	ZINC000022572927	521266368	/nfs/dbraw/zinc/26/63/68/521266368.db2.gz	WNZFXVWIZNBJQE-UHFFFAOYSA-N	0	0	463.925	5.885	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022572937	521266418	/nfs/dbraw/zinc/26/64/18/521266418.db2.gz	JJTDSBBEYXYBHQ-UHFFFAOYSA-N	0	0	463.925	5.885	40	5		JKBBRN
COc1ccc(-c2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000032115772	523220717	/nfs/dbraw/zinc/22/07/17/523220717.db2.gz	VGCXNEKKODORCW-UHFFFAOYSA-N	0	0	491.525	5.663	40	5		JKBBRN
CCn1c2c3ccccc3c(C(=O)c3ccc(Br)o3)n2c2c3ccccc3oc2c1=O	ZINC000016756731	523255645	/nfs/dbraw/zinc/25/56/45/523255645.db2.gz	LCXRDLIKKLQCAD-UHFFFAOYSA-N	0	0	475.298	5.760	40	5		JKBBRN
COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c4ccccc4ccc23)cc1	ZINC000012487993	524507820	/nfs/dbraw/zinc/50/78/20/524507820.db2.gz	MROGAYOGXALDGI-UHFFFAOYSA-N	0	0	465.578	6.498	40	5		JKBBRN
COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)nc2c3ccccc3ccc12	ZINC000012487999	524597991	/nfs/dbraw/zinc/59/79/91/524597991.db2.gz	DJFTWPSPOMYIFA-UHFFFAOYSA-N	0	0	465.578	6.498	40	5		JKBBRN
O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000020435719	526416846	/nfs/dbraw/zinc/41/68/46/526416846.db2.gz	BDZHKQLALQRQGH-UHFFFAOYSA-N	0	0	467.488	5.089	40	5		JKBBRN
O=C(CN1CCCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1	ZINC000002030008	526736707	/nfs/dbraw/zinc/73/67/07/526736707.db2.gz	YCNJGKRHFIWGJC-UHFFFAOYSA-N	0	0	471.604	7.146	40	5		JKBBRN
O=[N+]([O-])c1ccc(/C=C\c2cccc(/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000068563504	527343761	/nfs/dbraw/zinc/34/37/61/527343761.db2.gz	JUZPPVPZHHLCTG-PEPZGXQESA-N	0	0	462.374	5.660	40	5		JKBBRN
O=[N+]([O-])c1ccccc1/C=C/c1cc(/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000068563154	527397477	/nfs/dbraw/zinc/39/74/77/527397477.db2.gz	VYMJPXODFITBKT-WGDLNXRISA-N	0	0	462.374	5.660	40	5		JKBBRN
O=c1c2ccc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)c3cccc(c4nc5ccccc5n41)c32	ZINC000016478296	527462752	/nfs/dbraw/zinc/46/27/52/527462752.db2.gz	NTOGFCKPVHTJER-SSEXGKCCSA-N	0	0	490.566	6.948	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl	ZINC000022535943	527606672	/nfs/dbraw/zinc/60/66/72/527606672.db2.gz	KWHUFFAXMGEYKX-VQHVLOKHSA-N	0	0	454.273	5.287	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1Br	ZINC000000820943	553786406	/nfs/dbraw/zinc/78/64/06/553786406.db2.gz	OWLNADBIIXXLIP-UHFFFAOYSA-N	0	0	466.291	6.035	40	5		JKBBRN
O=C1NC(=O)c2c1c1c3cc(Br)ccc3[nH]c1c1[nH]c3ccc(Br)cc3c12	ZINC000000839175	553792823	/nfs/dbraw/zinc/79/28/23/553792823.db2.gz	DDKVYBNYFAHHSK-UHFFFAOYSA-N	0	0	483.119	5.364	40	5		JKBBRN
O=C(Nc1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccccc1	ZINC000000851581	553798585	/nfs/dbraw/zinc/79/85/85/553798585.db2.gz	YDGDEOVXCRDEAO-UHFFFAOYSA-N	0	0	489.509	5.440	40	5		JKBBRN
O=C(CN(C(=O)c1ccccc1Cl)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000853516	553799083	/nfs/dbraw/zinc/79/90/83/553799083.db2.gz	MWXFTOXDRVAKHI-UHFFFAOYSA-N	0	0	450.322	5.315	40	5		JKBBRN
Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000000853526	553799133	/nfs/dbraw/zinc/79/91/33/553799133.db2.gz	ZLGZDJLTGIDKGI-UHFFFAOYSA-N	0	0	461.337	5.061	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc2ccccc21	ZINC000000868983	553807715	/nfs/dbraw/zinc/80/77/15/553807715.db2.gz	SFXRKHWZJUVFFY-UHFFFAOYSA-N	0	0	481.537	5.727	40	5		JKBBRN
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)c1	ZINC000000902396	553835663	/nfs/dbraw/zinc/83/56/63/553835663.db2.gz	KWUUPGCKDMDLJR-UHFFFAOYSA-N	0	0	459.531	5.190	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000907444	553839968	/nfs/dbraw/zinc/83/99/68/553839968.db2.gz	NEVNKIYIZBYVTQ-UHFFFAOYSA-N	0	0	463.494	5.021	40	5		JKBBRN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@H](C(Cl)(Cl)Cl)O[C@@H]2C(Cl)(Cl)Cl	ZINC000001615448	553980502	/nfs/dbraw/zinc/98/05/02/553980502.db2.gz	FHFYDARLLMBMPK-YUMQZZPRSA-N	0	0	460.868	5.020	40	5		JKBBRN
CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1	ZINC000001787374	553989854	/nfs/dbraw/zinc/98/98/54/553989854.db2.gz	DJQMQVUAYXPIKA-UHFFFAOYSA-N	0	0	469.763	6.106	40	5		JKBBRN
CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000001849462	553995747	/nfs/dbraw/zinc/99/57/47/553995747.db2.gz	ZLMPPGUIPXNTLM-XBXARRHUSA-N	0	0	456.667	5.067	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000001852879	553996285	/nfs/dbraw/zinc/99/62/85/553996285.db2.gz	KGQFLSUVHKZIAY-AWEZNQCLSA-N	0	0	479.920	6.831	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000001860226	553997733	/nfs/dbraw/zinc/99/77/33/553997733.db2.gz	JDNYEIMNRFKYBI-CQSZACIVSA-N	0	0	463.921	7.131	40	5		JKBBRN
O=C(Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1)c1ccccc1	ZINC000001867063	553999129	/nfs/dbraw/zinc/99/91/29/553999129.db2.gz	PSZCFCGLXORKBI-UHFFFAOYSA-N	0	0	468.465	5.996	40	5		JKBBRN
O=C(OCc1ccccc1)c1c([N+](=O)[O-])c(Br)cc(OCc2ccccc2)c1[N+](=O)[O-]	ZINC000002572939	554236691	/nfs/dbraw/zinc/23/66/91/554236691.db2.gz	MMIMIFULGMZVPO-UHFFFAOYSA-N	0	0	487.262	5.202	40	5		JKBBRN
O=C(Nc1cc(Cl)ccc1Cl)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1	ZINC000003146546	554427671	/nfs/dbraw/zinc/42/76/71/554427671.db2.gz	SDVXMDPNAAIVLI-UHFFFAOYSA-N	0	0	499.137	6.713	40	5		JKBBRN
COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003146813	554427719	/nfs/dbraw/zinc/42/77/19/554427719.db2.gz	RWRNDQPEGZMQQC-UHFFFAOYSA-N	0	0	488.283	5.193	40	5		JKBBRN
O=C(/C=C/C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000004783625	554479728	/nfs/dbraw/zinc/47/97/28/554479728.db2.gz	PYPRWCNLQXPLSW-OWOJBTEDSA-N	0	0	496.042	5.184	40	5		JKBBRN
COc1ccc(/C=C\c2cc(/C=C\c3ccc(OC)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000005080555	554486312	/nfs/dbraw/zinc/48/63/12/554486312.db2.gz	LXHQHTVWJSTJGP-OZDSWYPASA-N	0	0	492.484	5.878	40	5		JKBBRN
CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000005105607	554486834	/nfs/dbraw/zinc/48/68/34/554486834.db2.gz	KMIPMRPJBMMFKA-UHFFFAOYSA-N	0	0	490.600	7.019	40	5		JKBBRN
CCOc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000005949411	554498605	/nfs/dbraw/zinc/49/86/05/554498605.db2.gz	YQXCVHQGDSBBJU-UHFFFAOYSA-N	0	0	478.555	5.397	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1	ZINC000006194273	554517906	/nfs/dbraw/zinc/51/79/06/554517906.db2.gz	SMXJYDDLHZEYEQ-UHFFFAOYSA-N	0	0	451.552	5.262	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1[N+](=O)[O-]	ZINC000006280855	554525044	/nfs/dbraw/zinc/52/50/44/554525044.db2.gz	SAZYNLUHUPQMCG-UHFFFAOYSA-N	0	0	451.552	5.262	40	5		JKBBRN
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)c1	ZINC000006442764	554537263	/nfs/dbraw/zinc/53/72/63/554537263.db2.gz	HEKFHDAYVDRRRO-UHFFFAOYSA-N	0	0	459.531	5.190	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])c(-c2ccccc2)c1/N=c1\ssc2c1-c1cccc(C)c1NC2(C)C	ZINC000006443611	554538002	/nfs/dbraw/zinc/53/80/02/554538002.db2.gz	JUCQHCZQMKYKIU-RFBIWTDZSA-N	0	0	473.623	7.562	40	5		JKBBRN
CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(Br)cc1	ZINC000006821856	554558490	/nfs/dbraw/zinc/55/84/90/554558490.db2.gz	RSWNYPXUQZMKQM-UHFFFAOYSA-N	0	0	457.305	5.817	40	5		JKBBRN
CCc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3ccc(F)cc3)nc12	ZINC000006860518	554559099	/nfs/dbraw/zinc/55/90/99/554559099.db2.gz	GTVILSXZDKSABW-UHFFFAOYSA-N	0	0	462.506	5.637	40	5		JKBBRN
CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000006878334	554559587	/nfs/dbraw/zinc/55/95/87/554559587.db2.gz	VBZZTZPBIDTBMS-UHFFFAOYSA-N	0	0	485.875	5.276	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc21	ZINC000006906620	554561784	/nfs/dbraw/zinc/56/17/84/554561784.db2.gz	SVGKQJFXIBHFPG-UHFFFAOYSA-N	0	0	464.478	5.084	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21	ZINC000006906677	554561790	/nfs/dbraw/zinc/56/17/90/554561790.db2.gz	ISRMOEJDOLVSIX-UHFFFAOYSA-N	0	0	468.296	6.378	40	5		JKBBRN
Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21	ZINC000008831098	554721144	/nfs/dbraw/zinc/72/11/44/554721144.db2.gz	KGXBTXKCQDVXCI-UHFFFAOYSA-N	0	0	452.517	5.208	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1	ZINC000008831313	554721775	/nfs/dbraw/zinc/72/17/75/554721775.db2.gz	DBYYNUUGUROIAE-UHFFFAOYSA-N	0	0	450.303	5.597	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1	ZINC000008831316	554721826	/nfs/dbraw/zinc/72/18/26/554721826.db2.gz	CHPMUBZXTSIOMZ-UHFFFAOYSA-N	0	0	455.923	5.262	40	5		JKBBRN
C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000008831767	554723638	/nfs/dbraw/zinc/72/36/38/554723638.db2.gz	PULAYKORQWSPOY-MRXNPFEDSA-N	0	0	464.547	5.360	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000008831789	554723762	/nfs/dbraw/zinc/72/37/62/554723762.db2.gz	IXUGVTKDJOJRGU-PKNBQFBNSA-N	0	0	472.328	5.524	40	5		JKBBRN
O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl	ZINC000008831882	554724229	/nfs/dbraw/zinc/72/42/29/554724229.db2.gz	XSWFFCCZOQFPLV-UHFFFAOYSA-N	0	0	462.676	6.616	40	5		JKBBRN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008831976	554724625	/nfs/dbraw/zinc/72/46/25/554724625.db2.gz	SQHOYTYRKLBBMB-UHFFFAOYSA-N	0	0	465.893	6.441	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000008831998	554724879	/nfs/dbraw/zinc/72/48/79/554724879.db2.gz	HTPKGCMVIWQYTI-UHFFFAOYSA-N	0	0	456.502	5.872	40	5		JKBBRN
COc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000008832013	554724888	/nfs/dbraw/zinc/72/48/88/554724888.db2.gz	FTLFPGZCEWIBCH-UHFFFAOYSA-N	0	0	458.474	5.264	40	5		JKBBRN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000008832074	554725065	/nfs/dbraw/zinc/72/50/65/554725065.db2.gz	FVVVOFBVLFNQDL-UHFFFAOYSA-N	0	0	460.298	6.537	40	5		JKBBRN
Cc1c(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cccc1[N+](=O)[O-]	ZINC000008832118	554725270	/nfs/dbraw/zinc/72/52/70/554725270.db2.gz	CVGMNJZHXAPGMJ-UHFFFAOYSA-N	0	0	457.873	6.770	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1	ZINC000008832309	554726108	/nfs/dbraw/zinc/72/61/08/554726108.db2.gz	SITGPTRCPRYJQZ-UHFFFAOYSA-N	0	0	451.910	6.050	40	5		JKBBRN
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000008832277	554726138	/nfs/dbraw/zinc/72/61/38/554726138.db2.gz	YGEVPJSMDGUWOT-ZZXKWVIFSA-N	0	0	470.117	5.089	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000008833306	554730521	/nfs/dbraw/zinc/73/05/21/554730521.db2.gz	RQMPCMOCEVJOGT-ZZXKWVIFSA-N	0	0	496.759	6.341	40	5		JKBBRN
Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cccc1[N+](=O)[O-]	ZINC000008835683	554735005	/nfs/dbraw/zinc/73/50/05/554735005.db2.gz	IPBDFYWXLUMXJA-UHFFFAOYSA-N	0	0	474.498	5.029	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-]	ZINC000008835682	554735030	/nfs/dbraw/zinc/73/50/30/554735030.db2.gz	CAHVCBJJJNHSRB-UHFFFAOYSA-N	0	0	474.498	5.029	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000008895134	554784681	/nfs/dbraw/zinc/78/46/81/554784681.db2.gz	XKUQFZFGYJJSHQ-UHFFFAOYSA-N	0	0	484.748	6.250	40	5		JKBBRN
CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000008895902	554785381	/nfs/dbraw/zinc/78/53/81/554785381.db2.gz	ROCJPYSJHHZPCQ-UHFFFAOYSA-N	0	0	486.937	5.374	40	5		JKBBRN
C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	ZINC000008898478	554788921	/nfs/dbraw/zinc/78/89/21/554788921.db2.gz	GLJHKYPMWNIGDM-GOSISDBHSA-N	0	0	481.622	5.091	40	5		JKBBRN
CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1	ZINC000008898402	554788949	/nfs/dbraw/zinc/78/89/49/554788949.db2.gz	QBJYEZLVOXZTLU-UHFFFAOYSA-N	0	0	498.992	5.871	40	5		JKBBRN
O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000008898695	554789398	/nfs/dbraw/zinc/78/93/98/554789398.db2.gz	ATJGPEBFPVSDNF-UHFFFAOYSA-N	0	0	480.735	5.777	40	5		JKBBRN
O=C(COc1ccccc1[N+](=O)[O-])Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1	ZINC000008898894	554789505	/nfs/dbraw/zinc/78/95/05/554789505.db2.gz	XQCQZHZAHRMYRO-UHFFFAOYSA-N	0	0	474.325	6.196	40	5		JKBBRN
CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000008899560	554790560	/nfs/dbraw/zinc/79/05/60/554790560.db2.gz	LSVFUPDRFKYXBW-UHFFFAOYSA-N	0	0	486.528	5.615	40	5		JKBBRN
Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000008900365	554792559	/nfs/dbraw/zinc/79/25/59/554792559.db2.gz	MAQSFSLHOCTLCN-UHFFFAOYSA-N	0	0	481.512	6.273	40	5		JKBBRN
Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000008900514	554792858	/nfs/dbraw/zinc/79/28/58/554792858.db2.gz	KWNUJHFCJOOKJK-UHFFFAOYSA-N	0	0	489.491	6.303	40	5		JKBBRN
O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000008901242	554794390	/nfs/dbraw/zinc/79/43/90/554794390.db2.gz	KTUDXOKICIFTLY-UHFFFAOYSA-N	0	0	486.867	6.534	40	5		JKBBRN
O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000008901507	554794811	/nfs/dbraw/zinc/79/48/11/554794811.db2.gz	ZVOKNKFZWOTQOI-UHFFFAOYSA-N	0	0	499.354	5.116	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000008902502	554796361	/nfs/dbraw/zinc/79/63/61/554796361.db2.gz	ZBULGJZGYXZCKB-JXMROGBWSA-N	0	0	498.333	5.106	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3ccc4nc(NC(=O)c5ccco5)sc4c3)o2)c([N+](=O)[O-])c1	ZINC000008902772	554796534	/nfs/dbraw/zinc/79/65/34/554796534.db2.gz	ONXHYOCJCWTKHW-UHFFFAOYSA-N	0	0	488.481	5.871	40	5		JKBBRN
CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000008902997	554796968	/nfs/dbraw/zinc/79/69/68/554796968.db2.gz	MUNYBNCVSLCLBL-UUILKARUSA-N	0	0	461.905	6.832	40	5		JKBBRN
CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1	ZINC000008903000	554796994	/nfs/dbraw/zinc/79/69/94/554796994.db2.gz	ONAVVOPRRXGJCB-DTQAZKPQSA-N	0	0	493.519	7.438	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1	ZINC000008903011	554797037	/nfs/dbraw/zinc/79/70/37/554797037.db2.gz	NNCQRFWXJHQDCG-UHFFFAOYSA-N	0	0	481.508	7.347	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1OC	ZINC000008903905	554798237	/nfs/dbraw/zinc/79/82/37/554798237.db2.gz	CDCGJLUVHAJFEP-ONNFQVAWSA-N	0	0	479.876	5.726	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000008990026	554851768	/nfs/dbraw/zinc/85/17/68/554851768.db2.gz	DDPCCDIFKQERDF-UUYOSTAYSA-N	0	0	492.915	5.879	40	5		JKBBRN
O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000009056521	554875029	/nfs/dbraw/zinc/87/50/29/554875029.db2.gz	PXPLDNAWWSKPDV-UHFFFAOYSA-N	0	0	461.861	6.013	40	5		JKBBRN
O=C(C[C@@H](Sc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000009057018	554876134	/nfs/dbraw/zinc/87/61/34/554876134.db2.gz	OPUGXGCLCMVBJX-HSZRJFAPSA-N	0	0	493.382	7.012	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2cccc3ccccc32)c1	ZINC000009062466	554880196	/nfs/dbraw/zinc/88/01/96/554880196.db2.gz	YKVAGKJOISFAAV-UHFFFAOYSA-N	0	0	495.520	5.771	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1sc2cc(Cl)ccc2c1Cl	ZINC000009062506	554880260	/nfs/dbraw/zinc/88/02/60/554880260.db2.gz	IOPUDJUQJXDNNK-UHFFFAOYSA-N	0	0	451.316	5.887	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(Cl)cc1	ZINC000009235298	555009125	/nfs/dbraw/zinc/00/91/25/555009125.db2.gz	MQCUCDLOKNPOCC-GIDUJCDVSA-N	0	0	486.720	5.230	40	5		JKBBRN
Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(Cl)cc3Cl)C2=O)c1	ZINC000009328788	555099630	/nfs/dbraw/zinc/09/96/30/555099630.db2.gz	BITHNFCOBAMDHH-VSKRKVRLSA-N	0	0	498.322	5.261	40	5		JKBBRN
COc1ccc2c(c1)c1c(c(C)c3ccncc3c1C)n2CCCN1C(=O)c2ccccc2C1=O	ZINC000013281539	555370691	/nfs/dbraw/zinc/37/06/91/555370691.db2.gz	MBJLHMGZGKXJAD-UHFFFAOYSA-N	0	0	463.537	5.654	40	5		JKBBRN
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1	ZINC000013382216	555393547	/nfs/dbraw/zinc/39/35/47/555393547.db2.gz	YLKBXPVLXQNYQN-UHFFFAOYSA-N	0	0	477.860	6.263	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1	ZINC000013382066	555393558	/nfs/dbraw/zinc/39/35/58/555393558.db2.gz	CVXZJIVHSRVNHJ-UHFFFAOYSA-N	0	0	497.551	6.965	40	5		JKBBRN
Cc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1[N+](=O)[O-]	ZINC000013477514	555403108	/nfs/dbraw/zinc/40/31/08/555403108.db2.gz	JHKUTFJDGARTSD-BOPFTXTBSA-N	0	0	453.248	5.270	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3Cl)c2C)n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013500034	555435725	/nfs/dbraw/zinc/43/57/25/555435725.db2.gz	CXLTVRAGIWYQJS-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)NCc3ccccc3)c2C)n1Cc1cccc([N+](=O)[O-])c1	ZINC000013500049	555435966	/nfs/dbraw/zinc/43/59/66/555435966.db2.gz	CMVXYSWYIWEMRE-UHFFFAOYSA-N	0	0	472.549	5.361	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000013509756	555481845	/nfs/dbraw/zinc/48/18/45/555481845.db2.gz	GPDOGMPGYGBCCN-UHFFFAOYSA-N	0	0	458.522	5.683	40	5		JKBBRN
O=C(NCCNc1nc(C2CCCCC2)nc2sc3c(c21)CCCC3)c1ccc([N+](=O)[O-])cc1	ZINC000013510212	555482040	/nfs/dbraw/zinc/48/20/40/555482040.db2.gz	KLLNWSZOVRJNLR-UHFFFAOYSA-N	0	0	479.606	5.368	40	5		JKBBRN
O=C(CSc1ncnc2c(-c3ccc(Cl)cc3)nsc21)Nc1ccccc1[N+](=O)[O-]	ZINC000013510973	555482827	/nfs/dbraw/zinc/48/28/27/555482827.db2.gz	MJVAPEGBPJXQRO-UHFFFAOYSA-N	0	0	457.924	5.046	40	5		JKBBRN
Cc1nc(Nc2cc(Cl)ccc2Cl)nc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-]	ZINC000009761149	555485545	/nfs/dbraw/zinc/48/55/45/555485545.db2.gz	VVNUDNNUJBSYBE-UHFFFAOYSA-N	0	0	459.120	6.794	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1	ZINC000019856410	555515418	/nfs/dbraw/zinc/51/54/18/555515418.db2.gz	PEWNMQFQIVTPCO-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccccc1[N+](=O)[O-]	ZINC000013615688	555535953	/nfs/dbraw/zinc/53/59/53/555535953.db2.gz	PCTZPRMTYQXAFN-UHFFFAOYSA-N	0	0	472.682	6.071	40	5		JKBBRN
CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-]	ZINC000013632952	555542797	/nfs/dbraw/zinc/54/27/97/555542797.db2.gz	NFLVUFXKQRQKLZ-UHFFFAOYSA-N	0	0	465.381	5.322	40	5		JKBBRN
Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1	ZINC000019928345	555543958	/nfs/dbraw/zinc/54/39/58/555543958.db2.gz	CSJWGGSXTLQXGT-UHFFFAOYSA-N	0	0	483.333	5.211	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000019928730	555544270	/nfs/dbraw/zinc/54/42/70/555544270.db2.gz	CHHUTFBGGDBFCW-UHFFFAOYSA-N	0	0	459.698	5.336	40	5		JKBBRN
O=C1[C@@H](c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1	ZINC000013634657	555544375	/nfs/dbraw/zinc/54/43/75/555544375.db2.gz	GJIMZCRNDFWIFS-LAJGZZDBSA-N	0	0	493.519	6.025	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)nc21	ZINC000010010628	555592994	/nfs/dbraw/zinc/59/29/94/555592994.db2.gz	UTJIGPPHFZIUCM-SOFGYWHQSA-N	0	0	469.906	6.087	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21	ZINC000010010619	555593041	/nfs/dbraw/zinc/59/30/41/555593041.db2.gz	QQZCJRLWNAHHMP-VQHVLOKHSA-N	0	0	466.431	5.033	40	5		JKBBRN
Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4Cl)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)c1	ZINC000013769351	555613754	/nfs/dbraw/zinc/61/37/54/555613754.db2.gz	BITHNFCOBAMDHH-FSSWDIPSSA-N	0	0	498.322	5.261	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)oc2c(Br)c1	ZINC000010119759	555631173	/nfs/dbraw/zinc/63/11/73/555631173.db2.gz	OWBRMUHITFJMNQ-UHFFFAOYSA-N	0	0	466.291	5.980	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)oc2c(Br)c1	ZINC000010119760	555631198	/nfs/dbraw/zinc/63/11/98/555631198.db2.gz	ZGDSWVBCZAJMKS-UHFFFAOYSA-N	0	0	480.318	6.289	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)oc2c(Br)c1	ZINC000010119755	555631275	/nfs/dbraw/zinc/63/12/75/555631275.db2.gz	ILDMRSMRNGLBGP-UHFFFAOYSA-N	0	0	480.318	6.289	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)oc2c(Br)c1	ZINC000010119813	555631522	/nfs/dbraw/zinc/63/15/22/555631522.db2.gz	JCIYMZWVCASJJN-UHFFFAOYSA-N	0	0	496.317	5.745	40	5		JKBBRN
Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)oc2cc1C	ZINC000010120407	555633099	/nfs/dbraw/zinc/63/30/99/555633099.db2.gz	IPVDSHNTMPAXPW-WYMLVPIESA-N	0	0	493.519	6.609	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nc5cc(C)c(C)cc5o4)cc3)o2)c([N+](=O)[O-])c1	ZINC000010120422	555633122	/nfs/dbraw/zinc/63/31/22/555633122.db2.gz	REWWAIYJOQKVNQ-UHFFFAOYSA-N	0	0	481.508	6.518	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1C	ZINC000013939912	555649956	/nfs/dbraw/zinc/64/99/56/555649956.db2.gz	XJUPGOPQFSBWJU-OPQYHKBDSA-N	0	0	476.532	5.635	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1C	ZINC000013939914	555649997	/nfs/dbraw/zinc/64/99/97/555649997.db2.gz	XJUPGOPQFSBWJU-DEQMQSMYSA-N	0	0	476.532	5.635	40	5		JKBBRN
O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000020139626	555662688	/nfs/dbraw/zinc/66/26/88/555662688.db2.gz	VIBRWZVOAUQEJG-UHFFFAOYSA-N	0	0	463.298	6.121	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)o2)c([N+](=O)[O-])c1	ZINC000020140679	555663176	/nfs/dbraw/zinc/66/31/76/555663176.db2.gz	OVXTWWNJUJRIMO-UHFFFAOYSA-N	0	0	468.849	5.521	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000020140623	555663281	/nfs/dbraw/zinc/66/32/81/555663281.db2.gz	MPVPMYGCTOAVLU-UHFFFAOYSA-N	0	0	452.850	5.821	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1	ZINC000020140685	555663348	/nfs/dbraw/zinc/66/33/48/555663348.db2.gz	HSDDPIOGDMOVHT-UHFFFAOYSA-N	0	0	468.849	5.521	40	5		JKBBRN
O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000020142604	555663523	/nfs/dbraw/zinc/66/35/23/555663523.db2.gz	ZZUXMLIHDOOKCF-UHFFFAOYSA-N	0	0	455.898	5.243	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1	ZINC000020145352	555664412	/nfs/dbraw/zinc/66/44/12/555664412.db2.gz	QOIFSKSMQHEYCI-XYOKQWHBSA-N	0	0	464.861	5.912	40	5		JKBBRN
COc1cc(NC(=O)/C=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1	ZINC000020151019	555667978	/nfs/dbraw/zinc/66/79/78/555667978.db2.gz	DIXLZHCXXQONGM-KPKJPENVSA-N	0	0	474.469	5.576	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)o1	ZINC000020151053	555667997	/nfs/dbraw/zinc/66/79/97/555667997.db2.gz	MFNYCDKCGOYSDP-IZZDOVSWSA-N	0	0	478.888	6.221	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(CNC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)cc3)nc2c1	ZINC000010372894	555700558	/nfs/dbraw/zinc/70/05/58/555700558.db2.gz	ATFHGUUECMNQEY-UHFFFAOYSA-N	0	0	455.514	5.840	40	5		JKBBRN
CCCC(=O)Nc1nc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2s1	ZINC000010372876	555700562	/nfs/dbraw/zinc/70/05/62/555700562.db2.gz	LBLGHGLDCHGYKP-UHFFFAOYSA-N	0	0	452.536	5.394	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014269427	555759242	/nfs/dbraw/zinc/75/92/42/555759242.db2.gz	XEVKRVHYJBGWTG-UHFFFAOYSA-N	0	0	469.828	5.654	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1[N+](=O)[O-]	ZINC000014269788	555760329	/nfs/dbraw/zinc/76/03/29/555760329.db2.gz	ASJNFINZVCLKLC-JXMROGBWSA-N	0	0	462.314	5.688	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cccc([N+](=O)[O-])c1	ZINC000014270116	555761260	/nfs/dbraw/zinc/76/12/60/555761260.db2.gz	CAHCFXJNDKNZQT-FNORWQNLSA-N	0	0	462.314	5.688	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1[N+](=O)[O-]	ZINC000014271010	555764686	/nfs/dbraw/zinc/76/46/86/555764686.db2.gz	OQTFOOYLDBYBGB-UHFFFAOYSA-N	0	0	466.302	5.297	40	5		JKBBRN
O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014271967	555768222	/nfs/dbraw/zinc/76/82/22/555768222.db2.gz	DARUSLJMPKHKLA-UHFFFAOYSA-N	0	0	463.881	5.304	40	5		JKBBRN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000014272316	555769429	/nfs/dbraw/zinc/76/94/29/555769429.db2.gz	FZTVTZSDDHWZEM-UHFFFAOYSA-N	0	0	461.474	5.553	40	5		JKBBRN
CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000014272391	555769681	/nfs/dbraw/zinc/76/96/81/555769681.db2.gz	ZQKOHCFOIXSUCN-UHFFFAOYSA-N	0	0	470.529	6.126	40	5		JKBBRN
Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000014272846	555771436	/nfs/dbraw/zinc/77/14/36/555771436.db2.gz	AOMMHYUTSDYWFO-UHFFFAOYSA-N	0	0	457.421	5.289	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000014272936	555771596	/nfs/dbraw/zinc/77/15/96/555771596.db2.gz	SXLQFVALJAJPRS-QPJJXVBHSA-N	0	0	451.693	6.775	40	5		JKBBRN
Cc1c(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cccc1[N+](=O)[O-]	ZINC000014273629	555773961	/nfs/dbraw/zinc/77/39/61/555773961.db2.gz	JLMWNKFDCOJFMS-UHFFFAOYSA-N	0	0	464.953	5.131	40	5		JKBBRN
Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-]	ZINC000014274569	555777068	/nfs/dbraw/zinc/77/70/68/555777068.db2.gz	FTPNLXHKSLUIQI-JXMROGBWSA-N	0	0	476.341	5.996	40	5		JKBBRN
Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc(-c2nc3ccccc3s2)c1O	ZINC000014275101	555779462	/nfs/dbraw/zinc/77/94/62/555779462.db2.gz	BTJSFQCMEIGMMT-UHFFFAOYSA-N	0	0	478.555	5.321	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000014276022	555782530	/nfs/dbraw/zinc/78/25/30/555782530.db2.gz	VBPXWBWUEQFARY-UHFFFAOYSA-N	0	0	480.727	5.398	40	5		JKBBRN
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014277734	555786634	/nfs/dbraw/zinc/78/66/34/555786634.db2.gz	HUVVIBVSHIAARS-UHFFFAOYSA-N	0	0	492.919	5.454	40	5		JKBBRN
O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014277728	555786668	/nfs/dbraw/zinc/78/66/68/555786668.db2.gz	WPRNSOYGCSVPSS-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
Cc1ccc2nc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1	ZINC000014277823	555786793	/nfs/dbraw/zinc/78/67/93/555786793.db2.gz	FJODMSNIBWZNNQ-UHFFFAOYSA-N	0	0	492.919	5.454	40	5		JKBBRN
O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014277747	555786870	/nfs/dbraw/zinc/78/68/70/555786870.db2.gz	RGNAUJKDCZUVJG-UHFFFAOYSA-N	0	0	494.290	7.222	40	5		JKBBRN
O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014277927	555787124	/nfs/dbraw/zinc/78/71/24/555787124.db2.gz	NHIGIBXHJVSMJF-UHFFFAOYSA-N	0	0	497.338	6.562	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000014277868	555787203	/nfs/dbraw/zinc/78/72/03/555787203.db2.gz	CJXDIQQIZLJIFL-UHFFFAOYSA-N	0	0	492.919	5.454	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014278260	555787941	/nfs/dbraw/zinc/78/79/41/555787941.db2.gz	XEYCVQJLDBVOGF-UHFFFAOYSA-N	0	0	478.291	7.115	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014278245	555787983	/nfs/dbraw/zinc/78/79/83/555787983.db2.gz	MPUPSGOLTYFXOI-UHFFFAOYSA-N	0	0	494.507	5.645	40	5		JKBBRN
O=C(Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2s1)c1ccco1	ZINC000020411076	555788095	/nfs/dbraw/zinc/78/80/95/555788095.db2.gz	QQIKRSFFYWGYOO-UHFFFAOYSA-N	0	0	474.454	5.562	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)c(C)c1	ZINC000014278541	555788809	/nfs/dbraw/zinc/78/88/09/555788809.db2.gz	LSYXLLACASTUMI-UHFFFAOYSA-N	0	0	492.967	5.697	40	5		JKBBRN
CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1	ZINC000020411807	555789276	/nfs/dbraw/zinc/78/92/76/555789276.db2.gz	ORMMZWSVOQAIAU-UHFFFAOYSA-N	0	0	468.535	5.012	40	5		JKBBRN
CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1	ZINC000020411822	555789610	/nfs/dbraw/zinc/78/96/10/555789610.db2.gz	HEFLJOWFZXMQDG-UHFFFAOYSA-N	0	0	451.460	5.282	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(C(=O)OC2CCCCC2)cc1	ZINC000020412164	555789846	/nfs/dbraw/zinc/78/98/46/555789846.db2.gz	AYBNIQRESIKWDP-BMRADRMJSA-N	0	0	460.486	5.996	40	5		JKBBRN
CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1	ZINC000020412573	555790396	/nfs/dbraw/zinc/79/03/96/555790396.db2.gz	BGNDOBSRJRXBRB-UHFFFAOYSA-N	0	0	496.951	5.065	40	5		JKBBRN
CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)CC2)cc1	ZINC000020529047	555793683	/nfs/dbraw/zinc/79/36/83/555793683.db2.gz	XUVKXPKXKNOGAZ-UHFFFAOYSA-N	0	0	492.963	5.025	40	5		JKBBRN
C[C@@H]1CCC[C@@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@H]2C)c4=O)[C@H]1C	ZINC000020569788	555823182	/nfs/dbraw/zinc/82/31/82/555823182.db2.gz	AASLOMJBKLCZLF-DUNDUCEESA-N	0	0	486.612	5.060	40	5		JKBBRN
C[C@@H]1CCC[C@@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@H]2CCC[C@H](C)[C@H]2C)c4=O)[C@H]1C	ZINC000020569792	555823248	/nfs/dbraw/zinc/82/32/48/555823248.db2.gz	AASLOMJBKLCZLF-BIJSUVFWSA-N	0	0	486.612	5.060	40	5		JKBBRN
C[C@@H]1CCC[C@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@@H](C)[C@@H]2C)c4=O)[C@@H]1C	ZINC000020569790	555823260	/nfs/dbraw/zinc/82/32/60/555823260.db2.gz	AASLOMJBKLCZLF-OSLLGUARSA-N	0	0	486.612	5.060	40	5		JKBBRN
COc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc(OC)cc2)cc1	ZINC000014586207	555835647	/nfs/dbraw/zinc/83/56/47/555835647.db2.gz	UVPJZTGMNXADMN-UHFFFAOYSA-N	0	0	461.499	5.655	40	5		JKBBRN
CC(=O)Nc1ccc(Oc2cc(NC(=O)c3ccc(Cl)cc3Cl)cc([N+](=O)[O-])c2)cc1	ZINC000014921069	555841141	/nfs/dbraw/zinc/84/11/41/555841141.db2.gz	QONMDPXBIADHFW-UHFFFAOYSA-N	0	0	460.273	5.905	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000021580574	555852581	/nfs/dbraw/zinc/85/25/81/555852581.db2.gz	UOZXSAUGLTVCBW-UHFFFAOYSA-N	0	0	471.517	5.389	40	5		JKBBRN
CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000021595903	555854280	/nfs/dbraw/zinc/85/42/80/555854280.db2.gz	OWAOOMSFQZAVJA-DTQAZKPQSA-N	0	0	479.496	5.803	40	5		JKBBRN
CCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)Nc1ccccc1-2	ZINC000015018372	555859067	/nfs/dbraw/zinc/85/90/67/555859067.db2.gz	IONIJTWQWAWRMH-HSZRJFAPSA-N	0	0	489.557	6.411	40	5		JKBBRN
CC1=C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1	ZINC000021985086	555859441	/nfs/dbraw/zinc/85/94/41/555859441.db2.gz	LTAFGCWFKPSPGC-XLVNMLQSSA-N	0	0	486.740	8.431	40	5		JKBBRN
Cc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c([N+](=O)[O-])c1	ZINC000015277455	555892794	/nfs/dbraw/zinc/89/27/94/555892794.db2.gz	RVMLAYBUDJMBMD-UHFFFAOYSA-N	0	0	460.493	6.433	40	5		JKBBRN
Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C	ZINC000015303443	555893935	/nfs/dbraw/zinc/89/39/35/555893935.db2.gz	YPDWYLCKUHZXIM-UHFFFAOYSA-N	0	0	499.489	6.875	40	5		JKBBRN
O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000015303991	555894360	/nfs/dbraw/zinc/89/43/60/555894360.db2.gz	ZRUQTOCFRPSGRQ-UHFFFAOYSA-N	0	0	471.218	6.965	40	5		JKBBRN
CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000015304549	555894369	/nfs/dbraw/zinc/89/43/69/555894369.db2.gz	RLLGLTGNNICWKH-FYJGNVAPSA-N	0	0	478.888	5.570	40	5		JKBBRN
CCOc1cc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)ccc1OC(C)=O	ZINC000015305936	555895091	/nfs/dbraw/zinc/89/50/91/555895091.db2.gz	OYIHHRYQVVKRSK-UHFFFAOYSA-N	0	0	459.501	6.590	40	5		JKBBRN
Cc1cccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)c1	ZINC000022257264	555904971	/nfs/dbraw/zinc/90/49/71/555904971.db2.gz	QKULPXGZQCMQEB-UHFFFAOYSA-N	0	0	464.522	5.002	40	5		JKBBRN
Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCCC2)ccc1[N+](=O)[O-]	ZINC000022257396	555905290	/nfs/dbraw/zinc/90/52/90/555905290.db2.gz	IAYFUEYPMIPOEG-UHFFFAOYSA-N	0	0	484.940	5.347	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O	ZINC000015659591	555922709	/nfs/dbraw/zinc/92/27/09/555922709.db2.gz	CRGLESUARFMDBY-BKJLSBSTSA-N	0	0	478.504	5.027	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000022535060	555932917	/nfs/dbraw/zinc/93/29/17/555932917.db2.gz	GOPMHHMTVJTVER-QHHAFSJGSA-N	0	0	453.332	5.038	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1C	ZINC000022562656	555934606	/nfs/dbraw/zinc/93/46/06/555934606.db2.gz	FBOYMPDNDYKIDA-UHFFFAOYSA-N	0	0	456.502	5.872	40	5		JKBBRN
CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2cccc([N+](=O)[O-])c2)Nc2ccccc2S3)cc1	ZINC000022564166	555935291	/nfs/dbraw/zinc/93/52/91/555935291.db2.gz	LHVSXOGRYHWSOR-JOCHJYFZSA-N	0	0	457.511	5.244	40	5		JKBBRN
COc1c(Br)c2ccccc2cc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000022564820	555935569	/nfs/dbraw/zinc/93/55/69/555935569.db2.gz	OXWPHIZOGYJSIJ-UHFFFAOYSA-N	0	0	458.293	5.381	40	5		JKBBRN
Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1Cl	ZINC000022568496	555936820	/nfs/dbraw/zinc/93/68/20/555936820.db2.gz	ACVDQBSVDJMVGW-UHFFFAOYSA-N	0	0	460.726	5.799	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000022571340	555937420	/nfs/dbraw/zinc/93/74/20/555937420.db2.gz	IJQZMCPKKAAMRJ-UHFFFAOYSA-N	0	0	462.893	5.909	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c(C)c1	ZINC000022708182	555944813	/nfs/dbraw/zinc/94/48/13/555944813.db2.gz	RGWILGODWAXJHP-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000022709050	555945058	/nfs/dbraw/zinc/94/50/58/555945058.db2.gz	FZKXJIXOELCRGN-UHFFFAOYSA-N	0	0	473.312	5.925	40	5		JKBBRN
COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000022740623	555948959	/nfs/dbraw/zinc/94/89/59/555948959.db2.gz	FOXIGTYYRHZCMO-UHFFFAOYSA-N	0	0	483.480	6.541	40	5		JKBBRN
C[C@H](OC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl	ZINC000012311712	555950271	/nfs/dbraw/zinc/95/02/71/555950271.db2.gz	OTKCOWCTUUTXNF-KKUMJFAQSA-N	0	0	494.375	5.568	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022746526	555951393	/nfs/dbraw/zinc/95/13/93/555951393.db2.gz	MBGLBDZCJXGBEW-UHFFFAOYSA-N	0	0	488.573	5.107	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1[N+](=O)[O-]	ZINC000022746394	555951416	/nfs/dbraw/zinc/95/14/16/555951416.db2.gz	ZWHOGZJZGCUFQZ-UHFFFAOYSA-N	0	0	488.548	5.134	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3)nc2c1	ZINC000022753021	555953049	/nfs/dbraw/zinc/95/30/49/555953049.db2.gz	RDOIQRXHALWSJS-AWEZNQCLSA-N	0	0	494.345	6.931	40	5		JKBBRN
O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1ccccc1[N+](=O)[O-]	ZINC000012469702	555982053	/nfs/dbraw/zinc/98/20/53/555982053.db2.gz	RQFMTYGMRWDVHW-UHFFFAOYSA-N	0	0	456.936	5.651	40	5		JKBBRN
O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3c4ccccc4ccc32)cc1	ZINC000012485564	555987278	/nfs/dbraw/zinc/98/72/78/555987278.db2.gz	ALODGYPKRHHYRY-UHFFFAOYSA-N	0	0	471.314	5.944	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccc4)nc4ccc(F)cc43)o2)cc1	ZINC000012486780	555988059	/nfs/dbraw/zinc/98/80/59/555988059.db2.gz	CCAGOJLSVYBJDR-UHFFFAOYSA-N	0	0	459.462	5.686	40	5		JKBBRN
O=C1[C@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000012851017	556117810	/nfs/dbraw/zinc/11/78/10/556117810.db2.gz	CACWZHSYVDZDDS-PUHABZHSSA-N	0	0	493.519	6.025	40	5		JKBBRN
COC(=O)c1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000016194140	556128589	/nfs/dbraw/zinc/12/85/89/556128589.db2.gz	FXNMQOQRQZTZDT-SAPNQHFASA-N	0	0	467.485	5.829	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(-c2nc3ncccc3o2)c1O	ZINC000016269617	556132015	/nfs/dbraw/zinc/13/20/15/556132015.db2.gz	XXBOXZQAZYBBFS-UHFFFAOYSA-N	0	0	456.414	5.324	40	5		JKBBRN
Cc1cc(C2=N/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)ccc1Br	ZINC000016282113	556132263	/nfs/dbraw/zinc/13/22/63/556132263.db2.gz	KGWCGQQFTWRAIU-WQRHYEAKSA-N	0	0	453.248	5.270	40	5		JKBBRN
O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000024522190	556133320	/nfs/dbraw/zinc/13/33/20/556133320.db2.gz	DKIJVZNFHMTENK-UHFFFAOYSA-N	0	0	450.406	6.165	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)o2)cc1Cl	ZINC000016313027	556134887	/nfs/dbraw/zinc/13/48/87/556134887.db2.gz	NKBVZEKCKXDPLD-RMKNXTFCSA-N	0	0	486.355	5.832	40	5		JKBBRN
O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000016399981	556137808	/nfs/dbraw/zinc/13/78/08/556137808.db2.gz	VDCVEOICTZLDPO-UHFFFAOYSA-N	0	0	459.845	6.569	40	5		JKBBRN
O=[N+]([O-])c1ccc2[nH]c(SCc3ccccc3CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2c1	ZINC000016450120	556139369	/nfs/dbraw/zinc/13/93/69/556139369.db2.gz	YXYWJNLZWRDHJW-UHFFFAOYSA-N	0	0	492.542	5.840	40	5		JKBBRN
O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)nc(Nc3ccccc3O)n2)c1	ZINC000016450491	556139812	/nfs/dbraw/zinc/13/98/12/556139812.db2.gz	HWSANSQFHIOADY-PHEQNACWSA-N	0	0	481.468	6.083	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1	ZINC000016492249	556141268	/nfs/dbraw/zinc/14/12/68/556141268.db2.gz	ZEPGBCBHVNNOBF-UHFFFAOYSA-N	0	0	487.415	6.995	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2cccc3ccccc32)c1)Nc1cccc2ccccc21	ZINC000016544978	556142727	/nfs/dbraw/zinc/14/27/27/556142727.db2.gz	PNGLKKGRICVQFX-UHFFFAOYSA-N	0	0	491.507	7.189	40	5		JKBBRN
O=[N+]([O-])c1ccc2nc(Nc3cccc4ccccc43)c(Nc3cccc4ccccc43)nc2c1	ZINC000016545046	556142821	/nfs/dbraw/zinc/14/28/21/556142821.db2.gz	NAFSJZTVWRKLCL-UHFFFAOYSA-N	0	0	457.493	7.332	40	5		JKBBRN
O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000016545600	556143105	/nfs/dbraw/zinc/14/31/05/556143105.db2.gz	HSGNHAYISXDLDQ-UHFFFAOYSA-N	0	0	477.476	6.259	40	5		JKBBRN
CC(C)C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000016574957	556144702	/nfs/dbraw/zinc/14/47/02/556144702.db2.gz	MEOFDYBIGXNTQX-UHFFFAOYSA-N	0	0	462.458	5.021	40	5		JKBBRN
CC1(C)C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000016577727	556145473	/nfs/dbraw/zinc/14/54/73/556145473.db2.gz	QASRUQBWIJSWCO-MHECFPHRSA-N	0	0	498.540	5.031	40	5		JKBBRN
CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2Cl)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2	ZINC000016605543	556145850	/nfs/dbraw/zinc/14/58/50/556145850.db2.gz	SAJSUPBUUWZVLF-HHHXNRCGSA-N	0	0	489.959	5.464	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000016610661	556146357	/nfs/dbraw/zinc/14/63/57/556146357.db2.gz	SKUKAWHPQUKDFE-RCLKMUNOSA-N	0	0	475.932	7.222	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000016610659	556146383	/nfs/dbraw/zinc/14/63/83/556146383.db2.gz	SKUKAWHPQUKDFE-OQRGYWNNSA-N	0	0	475.932	7.222	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1	ZINC000016611075	556147262	/nfs/dbraw/zinc/14/72/62/556147262.db2.gz	PXSQVAFRSPWXDN-OAHLLOKOSA-N	0	0	488.569	6.352	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1	ZINC000016611263	556148031	/nfs/dbraw/zinc/14/80/31/556148031.db2.gz	HBWWQHSXMWYJCJ-HNNXBMFYSA-N	0	0	474.542	6.043	40	5		JKBBRN
CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(OC)cc1	ZINC000016682609	556151191	/nfs/dbraw/zinc/15/11/91/556151191.db2.gz	RYQWEKGCWVBHTR-QHCPKHFHSA-N	0	0	480.908	5.159	40	5		JKBBRN
CCO[P@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1	ZINC000016688041	556151804	/nfs/dbraw/zinc/15/18/04/556151804.db2.gz	SIAZUKNREOTDBD-JXNPFXPLSA-N	0	0	480.417	5.741	40	5		JKBBRN
CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4cccc([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000016691933	556153035	/nfs/dbraw/zinc/15/30/35/556153035.db2.gz	NPLHETGMNAZWQI-AWNIVKPZSA-N	0	0	488.525	5.328	40	5		JKBBRN
CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1	ZINC000016692055	556153398	/nfs/dbraw/zinc/15/33/98/556153398.db2.gz	CYXHNKCRKMTZJG-UHFFFAOYSA-N	0	0	476.514	5.237	40	5		JKBBRN
CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1	ZINC000016692031	556153480	/nfs/dbraw/zinc/15/34/80/556153480.db2.gz	LYJIVBRBBBPMHF-UHFFFAOYSA-N	0	0	496.932	5.582	40	5		JKBBRN
Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@@H](Sc2ccc([N+](=O)[O-])cc2)CS1	ZINC000016779174	556159127	/nfs/dbraw/zinc/15/91/27/556159127.db2.gz	UOQVQXFGBAILGX-ICSRJNTNSA-N	0	0	481.624	5.839	40	5		JKBBRN
CCOc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000016789259	556160820	/nfs/dbraw/zinc/16/08/20/556160820.db2.gz	BNLCGVPQAXDEGA-UHFFFAOYSA-N	0	0	462.531	5.446	40	5		JKBBRN
COc1cc(/C=C/c2cc(/C=C\c3ccc(O)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000016926272	556180646	/nfs/dbraw/zinc/18/06/46/556180646.db2.gz	GKVKPJCQVGGHRF-KYPMKJFLSA-N	0	0	464.430	5.272	40	5		JKBBRN
CCOc1ccccc1/C=C/c1cc(/C=C\c2ccccc2OCC)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016926290	556180685	/nfs/dbraw/zinc/18/06/85/556180685.db2.gz	LCGDFKVPGMGRPZ-VCFJNTAESA-N	0	0	460.486	6.641	40	5		JKBBRN
COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000016940759	556180980	/nfs/dbraw/zinc/18/09/80/556180980.db2.gz	XGGDCOUBUFKJKG-AREMUKBSSA-N	0	0	490.452	7.065	40	5		JKBBRN
CCOc1cc(C=C2SC(=S)NC2=O)cc([N+](=O)[O-])c1OCCCOc1ccc(Cl)cc1	ZINC000026580613	556257520	/nfs/dbraw/zinc/25/75/20/556257520.db2.gz	IMNBSEVXEATPTG-PDGQHHTCSA-N	0	0	494.978	5.824	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N[C@]1(c1c[nH]c2ccccc21)c1c[nH]c2ccc(Br)cc21	ZINC000017419297	556260698	/nfs/dbraw/zinc/26/06/98/556260698.db2.gz	IGKHGLRADDVBRQ-XMMPIXPASA-N	0	0	487.313	5.872	40	5		JKBBRN
Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)N4c5ccccc5C[C@@H]4C)c3cc2c1	ZINC000013086129	556285810	/nfs/dbraw/zinc/28/58/10/556285810.db2.gz	QUIYOVPKFNGURB-INIZCTEOSA-N	0	0	470.623	6.079	40	5		JKBBRN
Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)Nc1nc2ccccc2s1	ZINC000013086154	556285834	/nfs/dbraw/zinc/28/58/34/556285834.db2.gz	BESCBECGNXITAK-UHFFFAOYSA-N	0	0	473.608	6.042	40	5		JKBBRN
COc1ccc2nc3sc4c(ncnc4SCC(=O)Nc4nc5c(s4)CCCC5)c3cc2c1	ZINC000013086150	556285918	/nfs/dbraw/zinc/28/59/18/556285918.db2.gz	QHDMJXXZRGTPLM-UHFFFAOYSA-N	0	0	493.639	5.467	40	5		JKBBRN
Cc1nc2ccccc2c2c(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)c3ccccc3n21	ZINC000013096935	556292355	/nfs/dbraw/zinc/29/23/55/556292355.db2.gz	AFTCEHAAARKGNR-UHFFFAOYSA-N	0	0	457.917	6.016	40	5		JKBBRN
C[C@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@@H](C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000013134060	556361285	/nfs/dbraw/zinc/36/12/85/556361285.db2.gz	MFWWICBCDMOQEH-FSNCLGKMSA-N	0	0	480.590	5.421	40	5		JKBBRN
CC(C)(C)CC(C)(C)N(CSc1ccc([N+](=O)[O-])cc1)CSc1ccc([N+](=O)[O-])cc1	ZINC000031670211	556401886	/nfs/dbraw/zinc/40/18/86/556401886.db2.gz	AMEGWKBKWKKPNQ-UHFFFAOYSA-N	0	0	463.625	6.819	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1	ZINC000032109342	556419058	/nfs/dbraw/zinc/41/90/58/556419058.db2.gz	PNEGHMIDBNNMMG-UHFFFAOYSA-N	0	0	466.906	5.492	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032112065	556421031	/nfs/dbraw/zinc/42/10/31/556421031.db2.gz	HTOZVNAVLXLRMZ-UHFFFAOYSA-N	0	0	481.464	6.414	40	5		JKBBRN
O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc([N+](=O)[O-])cc1	ZINC000032114883	556421603	/nfs/dbraw/zinc/42/16/03/556421603.db2.gz	IJKNIGFZNZHQOR-UHFFFAOYSA-N	0	0	488.859	5.461	40	5		JKBBRN
Cc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1	ZINC000032115162	556422132	/nfs/dbraw/zinc/42/21/32/556422132.db2.gz	MJGSLTCOCVCJIC-UHFFFAOYSA-N	0	0	474.498	5.029	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4cccc([N+](=O)[O-])c4)ccc3o2)cc1C	ZINC000032116420	556423623	/nfs/dbraw/zinc/42/36/23/556423623.db2.gz	BKDJDNJMVALHNI-YRNVUSSQSA-N	0	0	472.526	5.546	40	5		JKBBRN
CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O	ZINC000032124586	556427245	/nfs/dbraw/zinc/42/72/45/556427245.db2.gz	VVSXQOKGUSXYBY-MOSHPQCFSA-N	0	0	486.571	5.434	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124796	556427821	/nfs/dbraw/zinc/42/78/21/556427821.db2.gz	UYENPXZXBBIIOP-STZFKDTASA-N	0	0	497.598	5.103	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000032125193	556429162	/nfs/dbraw/zinc/42/91/62/556429162.db2.gz	AIIBNFSUIPMUPA-CYBMUJFWSA-N	0	0	484.339	7.476	40	5		JKBBRN
Cc1nnc2sc(-c3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c(C)c3)nn12	ZINC000057313087	569596413	/nfs/dbraw/zinc/59/64/13/569596413.db2.gz	HGSYDOBBXFFWOX-UHFFFAOYSA-N	0	0	484.950	5.498	40	5		JKBBRN
O=C(Nc1ccccc1I)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057313041	569596439	/nfs/dbraw/zinc/59/64/39/569596439.db2.gz	KMVWRJZMXRWXFK-UHFFFAOYSA-N	0	0	458.664	5.320	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2[N+](=O)[O-])CC1	ZINC000057313013	569596479	/nfs/dbraw/zinc/59/64/79/569596479.db2.gz	CKDBWPLHACWMOW-UHFFFAOYSA-N	0	0	455.518	5.627	40	5		JKBBRN
CCc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nn12	ZINC000057313037	569596488	/nfs/dbraw/zinc/59/64/88/569596488.db2.gz	DKQNFOKJFQEXKM-WYMLVPIESA-N	0	0	486.513	5.235	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1	ZINC000057313576	569596695	/nfs/dbraw/zinc/59/66/95/569596695.db2.gz	XRDWJHKLKACNNQ-UHFFFAOYSA-N	0	0	475.389	6.121	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)NCc3ccc(-c4nc5ccccc5s4)cc3)cc2[N+](=O)[O-])CC1	ZINC000057313596	569596719	/nfs/dbraw/zinc/59/67/19/569596719.db2.gz	OTEDSDDXWPWWQY-UHFFFAOYSA-N	0	0	486.597	6.038	40	5		JKBBRN
Cc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12	ZINC000057313833	569596868	/nfs/dbraw/zinc/59/68/68/569596868.db2.gz	HKMKVXDIJJUOOW-ZRDIBKRKSA-N	0	0	486.513	5.290	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000057315661	569597114	/nfs/dbraw/zinc/59/71/14/569597114.db2.gz	CCKICMIWLFNEFI-NTCAYCPXSA-N	0	0	472.884	6.391	40	5		JKBBRN
COc1ccc(-c2csc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1	ZINC000057315779	569597232	/nfs/dbraw/zinc/59/72/32/569597232.db2.gz	LVBXFRZOWDPRCJ-UHFFFAOYSA-N	0	0	452.536	5.216	40	5		JKBBRN
CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1	ZINC000057315703	569597268	/nfs/dbraw/zinc/59/72/68/569597268.db2.gz	DUNMYKARAHXRLH-FMIVXFBMSA-N	0	0	480.952	5.302	40	5		JKBBRN
O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057315909	569597320	/nfs/dbraw/zinc/59/73/20/569597320.db2.gz	PZOKDIPLQKXSFN-UHFFFAOYSA-N	0	0	465.943	6.992	40	5		JKBBRN
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1	ZINC000057316099	569597517	/nfs/dbraw/zinc/59/75/17/569597517.db2.gz	NYQARHRUWFJZTD-VOMSXAGXSA-N	0	0	493.585	5.818	40	5		JKBBRN
O=C(Nc1ccc(I)cc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057316118	569597519	/nfs/dbraw/zinc/59/75/19/569597519.db2.gz	PEYOLYPMSZHVAO-UHFFFAOYSA-N	0	0	493.109	5.973	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccc(-c2ccc(Br)cc2)o1	ZINC000057317094	569598339	/nfs/dbraw/zinc/59/83/39/569598339.db2.gz	VEIMYKZWMUGVDV-SDNWHVSQSA-N	0	0	493.313	6.207	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccc(-c2nc3ncccc3o2)cc1	ZINC000057333752	569599014	/nfs/dbraw/zinc/59/90/14/569599014.db2.gz	BMYQHDCYSGILLZ-WYMLVPIESA-N	0	0	466.453	5.388	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000059294174	569602479	/nfs/dbraw/zinc/60/24/79/569602479.db2.gz	AOANUOSNHRSFBH-PKNBQFBNSA-N	0	0	462.443	5.538	40	5		JKBBRN
O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000059294641	569602586	/nfs/dbraw/zinc/60/25/86/569602586.db2.gz	QUUWWPUVAZFAQH-UHFFFAOYSA-N	0	0	486.336	6.621	40	5		JKBBRN
O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)Nc1ccccc1[N+](=O)[O-]	ZINC000059474800	569604510	/nfs/dbraw/zinc/60/45/10/569604510.db2.gz	JWLCKEQPTKONIL-UHFFFAOYSA-N	0	0	470.576	5.454	40	5		JKBBRN
CC1=NN(c2ccccc2)[C@@]2(SC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000059482988	569604824	/nfs/dbraw/zinc/60/48/24/569604824.db2.gz	MZINCGZQTYLKQV-NDEPHWFRSA-N	0	0	491.576	6.565	40	5		JKBBRN
CCOc1ccc2nc(Sc3ccc([C@H]4NC(=O)c5ccccc5O4)cc3[N+](=O)[O-])sc2c1	ZINC000059488124	569605454	/nfs/dbraw/zinc/60/54/54/569605454.db2.gz	AMCMVHSJZTUCBD-QFIPXVFZSA-N	0	0	479.539	5.575	40	5		JKBBRN
CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccc(Cl)cc1	ZINC000059490040	569606053	/nfs/dbraw/zinc/60/60/53/569606053.db2.gz	CVLLSLJSDOXOFD-RUZDIDTESA-N	0	0	460.018	6.288	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccccc2-c2csc(Nc3ccccc3Br)n2)cc1	ZINC000033475789	569626773	/nfs/dbraw/zinc/62/67/73/569626773.db2.gz	IMCIQTNLOWUWHK-UHFFFAOYSA-N	0	0	482.359	6.803	40	5		JKBBRN
Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl	ZINC000033551014	569627669	/nfs/dbraw/zinc/62/76/69/569627669.db2.gz	QBSUFHDZXTUGTR-UHFFFAOYSA-N	0	0	473.876	5.803	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1sc2cc(Cl)ccc2c1Cl	ZINC000033693408	569630961	/nfs/dbraw/zinc/63/09/61/569630961.db2.gz	KNXUZHBSFRMWAN-UHFFFAOYSA-N	0	0	460.751	5.897	40	5		JKBBRN
O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	ZINC000033705378	569631153	/nfs/dbraw/zinc/63/11/53/569631153.db2.gz	ISEBAUKAEHAMEC-UHFFFAOYSA-N	0	0	484.600	5.066	40	5		JKBBRN
CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1	ZINC000033743293	569633180	/nfs/dbraw/zinc/63/31/80/569633180.db2.gz	APSFWTGEBCZPMF-UHFFFAOYSA-N	0	0	453.458	5.403	40	5		JKBBRN
O=C1[C@H](c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1	ZINC000033926912	569637719	/nfs/dbraw/zinc/63/77/19/569637719.db2.gz	GJIMZCRNDFWIFS-JUDWXZBOSA-N	0	0	493.519	6.025	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000034763497	569658081	/nfs/dbraw/zinc/65/80/81/569658081.db2.gz	QPHOFOGWWLCGDJ-UHFFFAOYSA-N	0	0	470.938	5.235	40	5		JKBBRN
O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000035077807	569674346	/nfs/dbraw/zinc/67/43/46/569674346.db2.gz	DCGJFQDQISWVDS-UHFFFAOYSA-N	0	0	484.965	5.625	40	5		JKBBRN
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000035147434	569675991	/nfs/dbraw/zinc/67/59/91/569675991.db2.gz	BXCNNDUMKQHOIO-VWLOTQADSA-N	0	0	482.496	5.220	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	ZINC000035167468	569677093	/nfs/dbraw/zinc/67/70/93/569677093.db2.gz	DEBHAJZMAVEPDM-UHFFFAOYSA-N	0	0	460.536	7.472	40	5		JKBBRN
Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1	ZINC000035201811	569678228	/nfs/dbraw/zinc/67/82/28/569678228.db2.gz	AOMKNMPFSWFVCB-UHFFFAOYSA-N	0	0	498.524	5.024	40	5		JKBBRN
O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000035269535	569679216	/nfs/dbraw/zinc/67/92/16/569679216.db2.gz	IAZOVSUXRLFZCK-UHFFFAOYSA-N	0	0	461.861	6.013	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000035377541	569685211	/nfs/dbraw/zinc/68/52/11/569685211.db2.gz	OPYRSVAUTXDXIH-ODLFYWEKSA-N	0	0	485.315	5.854	40	5		JKBBRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)OCc1ccccc1	ZINC000067794595	569690885	/nfs/dbraw/zinc/69/08/85/569690885.db2.gz	NIELMORBCUHXFD-SANMLTNESA-N	0	0	479.576	6.763	40	5		JKBBRN
C[C@H]1CCCCN1c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1[N+](=O)[O-]	ZINC000072229281	569700660	/nfs/dbraw/zinc/70/06/60/569700660.db2.gz	ZRDVXRLFDZROQN-LBPRGKRZSA-N	0	0	452.736	5.642	40	5		JKBBRN
C[C@@H]1CCCCN1c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1[N+](=O)[O-]	ZINC000072229280	569700673	/nfs/dbraw/zinc/70/06/73/569700673.db2.gz	ZRDVXRLFDZROQN-GFCCVEGCSA-N	0	0	452.736	5.642	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000072230000	569700761	/nfs/dbraw/zinc/70/07/61/569700761.db2.gz	ZTQIMRHKENHXRS-VWLOTQADSA-N	0	0	479.964	5.819	40	5		JKBBRN
CN1C(=O)S/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C1=O	ZINC000083312618	569708489	/nfs/dbraw/zinc/70/84/89/569708489.db2.gz	XZDYHAYEOWXNRH-JJIBRWJFSA-N	0	0	481.533	6.386	40	5		JKBBRN
c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc43)cc2)cc1	ZINC000095871262	569729259	/nfs/dbraw/zinc/72/92/59/569729259.db2.gz	KOIMINKJYIDAOZ-UHFFFAOYSA-N	0	0	482.626	10.661	40	5		JKBBRN
C[C@H]1[C@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@@H]2C)c4=O)CCC[C@@H]1C	ZINC000036019151	569749685	/nfs/dbraw/zinc/74/96/85/569749685.db2.gz	AASLOMJBKLCZLF-DUOVINJQSA-N	0	0	486.612	5.060	40	5		JKBBRN
CC(C)[C@H]1CC[C@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1	ZINC000036020243	569750022	/nfs/dbraw/zinc/75/00/22/569750022.db2.gz	MUSCJXZNWNRCOK-QHLUZPDOSA-N	0	0	470.549	9.486	40	5		JKBBRN
Cc1c(Cl)c(C)c([N+](=O)[O-])c(-c2c([N+](=O)[O-])c(C)c(Cl)c(C)c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000100099222	569752965	/nfs/dbraw/zinc/75/29/65/569752965.db2.gz	WOHNDUMENLKSGU-UHFFFAOYSA-N	0	0	459.198	5.527	40	5		JKBBRN
O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@H](c1c[nH]c2ccc(COc4ccccc4)cc21)C3O	ZINC000100134560	569753497	/nfs/dbraw/zinc/75/34/97/569753497.db2.gz	WGJXIOWPAXJFGE-XMMPIXPASA-N	0	0	454.442	5.652	40	5	in-vitro	JKBBRN
O=[N+]([O-])c1ccc(Oc2cccc3c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cccc23)c([N+](=O)[O-])c1	ZINC000100170986	569754729	/nfs/dbraw/zinc/75/47/29/569754729.db2.gz	SOWLXZPSWYDXFJ-UHFFFAOYSA-N	0	0	492.356	6.057	40	5		JKBBRN
Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000036316834	569763282	/nfs/dbraw/zinc/76/32/82/569763282.db2.gz	DCAZCKMMEAPQGQ-WWQFTLRMSA-N	0	0	499.592	5.030	40	5		JKBBRN
Cc1ccc(Oc2cc(NC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1	ZINC000036611136	569777489	/nfs/dbraw/zinc/77/74/89/569777489.db2.gz	DRXFJJLIKDSIJN-UHFFFAOYSA-N	0	0	497.433	5.887	40	5		JKBBRN
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000036619631	569778676	/nfs/dbraw/zinc/77/86/76/569778676.db2.gz	FZQSDUUYNATYJZ-VWLOTQADSA-N	0	0	482.496	5.220	40	5		JKBBRN
CC(=O)c1sc(=Nc2ccccc2)n(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C	ZINC000101375731	569795202	/nfs/dbraw/zinc/79/52/02/569795202.db2.gz	VVLNSKLYHZKENL-QOMWVZHYSA-N	0	0	464.469	5.332	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1NC(=O)c1cccc2ccccc21	ZINC000039772146	569811826	/nfs/dbraw/zinc/81/18/26/569811826.db2.gz	RBVQNUYAPGIYEP-UHFFFAOYSA-N	0	0	495.520	5.771	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1	ZINC000039860675	569812123	/nfs/dbraw/zinc/81/21/23/569812123.db2.gz	DGKPFCDGAUHZDY-VCHYOVAHSA-N	0	0	461.282	6.403	40	5		JKBBRN
O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102741965	569819126	/nfs/dbraw/zinc/81/91/26/569819126.db2.gz	KHIKRHXUAYKXPT-GVAUOCQISA-N	0	0	499.454	5.045	40	5		JKBBRN
Oc1c2c(c(O)n1-c1ccc(F)cc1)[C@H](c1c3ccccc3cc3ccccc31)N(c1ccccc1)O2	ZINC000102753798	569821092	/nfs/dbraw/zinc/82/10/92/569821092.db2.gz	CFQJURVDZRPFOM-AWCRTANDSA-N	0	0	488.518	6.183	40	5		JKBBRN
Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102752878	569821132	/nfs/dbraw/zinc/82/11/32/569821132.db2.gz	TZGJHJKWADXIOC-UODIDJSMSA-N	0	0	479.492	5.108	40	5		JKBBRN
Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000102773753	569823607	/nfs/dbraw/zinc/82/36/07/569823607.db2.gz	DCAZCKMMEAPQGQ-PAHOUZJPSA-N	0	0	499.592	5.030	40	5		JKBBRN
O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1Cc1ccccc1F	ZINC000040398715	569825971	/nfs/dbraw/zinc/82/59/71/569825971.db2.gz	SLQDNOCUOIBSNQ-UHFFFAOYSA-N	0	0	466.299	5.195	40	5		JKBBRN
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2)c1	ZINC000041091608	569837598	/nfs/dbraw/zinc/83/75/98/569837598.db2.gz	MYXHMNBIMJIXKJ-UHFFFAOYSA-N	0	0	472.545	5.644	40	5		JKBBRN
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2)c1	ZINC000041091613	569837629	/nfs/dbraw/zinc/83/76/29/569837629.db2.gz	LDWNIDPIDRVSFL-UHFFFAOYSA-N	0	0	465.918	6.276	40	5		JKBBRN
CC1(C)[C@]2(c3ccccc3)[C@H]3C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)[C@@H]3[C@]12c1ccccc1	ZINC000045070253	569840000	/nfs/dbraw/zinc/84/00/00/569840000.db2.gz	TTYZBJSFCZZGFK-JOQJHHFZSA-N	0	0	484.508	5.594	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br	ZINC000106732451	569855229	/nfs/dbraw/zinc/85/52/29/569855229.db2.gz	DVCWNMQLDOASDY-NVNXTCNLSA-N	0	0	453.701	5.247	40	5		JKBBRN
CCOc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	ZINC000104171175	569842393	/nfs/dbraw/zinc/84/23/93/569842393.db2.gz	HSJXQVJBZXRPMR-IZHYLOQSSA-N	0	0	490.497	5.162	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000106680226	569854503	/nfs/dbraw/zinc/85/45/03/569854503.db2.gz	JXFUSABGEGGGOX-XKZIYDEJSA-N	0	0	490.493	5.059	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000106685875	569854596	/nfs/dbraw/zinc/85/45/96/569854596.db2.gz	YBABLUAGEGRBPI-XKZIYDEJSA-N	0	0	480.929	6.064	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1	ZINC000106687993	569854636	/nfs/dbraw/zinc/85/46/36/569854636.db2.gz	WKNRRMNXUNHNMV-JAIQZWGSSA-N	0	0	454.891	6.053	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1	ZINC000106701649	569854783	/nfs/dbraw/zinc/85/47/83/569854783.db2.gz	MYSLRVZYGFBHHK-UUYOSTAYSA-N	0	0	491.481	5.840	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106726942	569855169	/nfs/dbraw/zinc/85/51/69/569855169.db2.gz	UFFNBIVPZFUEPB-QQXSKIMKSA-N	0	0	496.544	6.564	40	5		JKBBRN
CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br	ZINC000106727850	569855232	/nfs/dbraw/zinc/85/52/32/569855232.db2.gz	WHPYLZAKCXXGRE-ZDLGFXPLSA-N	0	0	477.336	5.381	40	5		JKBBRN
CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	ZINC000106739123	569855351	/nfs/dbraw/zinc/85/53/51/569855351.db2.gz	STOYBSWWYAGPKG-NVMNQCDNSA-N	0	0	493.335	5.001	40	5		JKBBRN
Cc1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)cc1	ZINC000106741006	569855387	/nfs/dbraw/zinc/85/53/87/569855387.db2.gz	RJJBALZBFJKHBH-QFEZKATASA-N	0	0	483.549	6.143	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106743676	569855415	/nfs/dbraw/zinc/85/54/15/569855415.db2.gz	FNTFTDUSLTUIOB-WQRHYEAKSA-N	0	0	472.931	6.229	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106745884	569855420	/nfs/dbraw/zinc/85/54/20/569855420.db2.gz	FHIHECLWHOGJHX-CFRMEGHHSA-N	0	0	487.512	5.973	40	5		JKBBRN
CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	ZINC000106745138	569855453	/nfs/dbraw/zinc/85/54/53/569855453.db2.gz	GLZCVZJGHQNEJE-WQRHYEAKSA-N	0	0	477.336	5.383	40	5		JKBBRN
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1	ZINC000107652748	569856943	/nfs/dbraw/zinc/85/69/43/569856943.db2.gz	NVXKSHNAJMMBEQ-GFCCVEGCSA-N	0	0	480.377	5.296	40	5		JKBBRN
O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	ZINC000108213521	569859061	/nfs/dbraw/zinc/85/90/61/569859061.db2.gz	PACGNHMRONHTFV-ONEGZZNKSA-N	0	0	481.955	6.345	40	5		JKBBRN
COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C	ZINC000108217369	569859120	/nfs/dbraw/zinc/85/91/20/569859120.db2.gz	HYDVLJGALVNTJY-ZRDIBKRKSA-N	0	0	451.479	5.211	40	5		JKBBRN
CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C	ZINC000108949331	569859980	/nfs/dbraw/zinc/85/99/80/569859980.db2.gz	MLGZIGICYFKXQB-QBFSEMIESA-N	0	0	465.506	5.601	40	5		JKBBRN
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl	ZINC000108983810	569860135	/nfs/dbraw/zinc/86/01/35/569860135.db2.gz	KPLFTBMTEXBYCA-HXUWFJFHSA-N	0	0	488.013	5.669	40	5		JKBBRN
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl	ZINC000108983812	569860211	/nfs/dbraw/zinc/86/02/11/569860211.db2.gz	KPLFTBMTEXBYCA-FQEVSTJZSA-N	0	0	488.013	5.669	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000113833926	569862127	/nfs/dbraw/zinc/86/21/27/569862127.db2.gz	WEVRNXGQZFCAOA-HZHRSRAPSA-N	0	0	476.510	5.813	40	5		JKBBRN
COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000113928919	569862282	/nfs/dbraw/zinc/86/22/82/569862282.db2.gz	CTCXMAMCSNNZCY-MUUNZHRXSA-N	0	0	479.536	5.965	40	5		JKBBRN
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@](Cl)([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118928899	569863863	/nfs/dbraw/zinc/86/38/63/569863863.db2.gz	QOMCHSBQXXXJGP-UEWDELQXSA-N	0	0	452.123	8.320	40	5		JKBBRN
Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cccc([N+](=O)[O-])c1	ZINC000197917554	569873830	/nfs/dbraw/zinc/87/38/30/569873830.db2.gz	QSCODDFOVNRNSG-UHFFFAOYSA-N	0	0	475.555	5.312	40	5		JKBBRN
CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O	ZINC000205672673	569874052	/nfs/dbraw/zinc/87/40/52/569874052.db2.gz	CDJDOOGJTWOFBP-RQZCQDPDSA-N	0	0	496.419	5.005	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2	ZINC000205666649	569874054	/nfs/dbraw/zinc/87/40/54/569874054.db2.gz	JEZUOFQWVYDMHS-DNTJNYDQSA-N	0	0	484.873	5.473	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC	ZINC000205702333	569874171	/nfs/dbraw/zinc/87/41/71/569874171.db2.gz	WEZJQICMWVYQLT-WOJGMQOQSA-N	0	0	462.911	5.282	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000205701715	569874193	/nfs/dbraw/zinc/87/41/93/569874193.db2.gz	KZINSUQHTQOBPJ-VXLYETTFSA-N	0	0	485.861	5.653	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000208712332	569875910	/nfs/dbraw/zinc/87/59/10/569875910.db2.gz	VWRINWDGRDJGLW-NDENLUEZSA-N	0	0	486.427	6.647	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1Cl	ZINC000214116357	569876372	/nfs/dbraw/zinc/87/63/72/569876372.db2.gz	WZTUMVNSMSUUNB-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000214151498	569876415	/nfs/dbraw/zinc/87/64/15/569876415.db2.gz	KPPUWHRDNXVBJT-UDWIEESQSA-N	0	0	463.471	5.027	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1F	ZINC000214330289	569876542	/nfs/dbraw/zinc/87/65/42/569876542.db2.gz	GDWIAJGMVAGQBP-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F	ZINC000214351361	569876585	/nfs/dbraw/zinc/87/65/85/569876585.db2.gz	JSYIMTVILVCBLD-SRZZPIQSSA-N	0	0	495.444	5.671	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1F	ZINC000214358559	569876620	/nfs/dbraw/zinc/87/66/20/569876620.db2.gz	VGKTXBYBQDWHJF-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1	ZINC000214449261	569876668	/nfs/dbraw/zinc/87/66/68/569876668.db2.gz	HHOLDYWZYNJDPE-OEAKJJBVSA-N	0	0	460.511	5.719	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl	ZINC000214426746	569876681	/nfs/dbraw/zinc/87/66/81/569876681.db2.gz	JFPBHGMONZBKKQ-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1	ZINC000214521205	569876739	/nfs/dbraw/zinc/87/67/39/569876739.db2.gz	JGKIPUUHXHVHRA-RGVLZGJSSA-N	0	0	454.891	6.053	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000214569614	569876741	/nfs/dbraw/zinc/87/67/41/569876741.db2.gz	BNSNLQJZUYCZHG-ZVHZXABRSA-N	0	0	490.537	5.727	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000214524867	569876781	/nfs/dbraw/zinc/87/67/81/569876781.db2.gz	DCTDGLHJIOWOAQ-CIAFOILYSA-N	0	0	477.498	5.336	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)o1	ZINC000214623678	569876832	/nfs/dbraw/zinc/87/68/32/569876832.db2.gz	IPXOCWZETPTQLM-CIAFOILYSA-N	0	0	450.472	5.408	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc54)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000214747854	569876919	/nfs/dbraw/zinc/87/69/19/569876919.db2.gz	PEBVADLIIYPLIF-AFUMVMLFSA-N	0	0	484.533	6.861	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)cc1[N+](=O)[O-]	ZINC000214792178	569876958	/nfs/dbraw/zinc/87/69/58/569876958.db2.gz	AWRQHWBHWAPSCV-KEBDBYFISA-N	0	0	489.336	6.707	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000214810960	569876991	/nfs/dbraw/zinc/87/69/91/569876991.db2.gz	WZYPGVDMOBCKEM-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000214859453	569877040	/nfs/dbraw/zinc/87/70/40/569877040.db2.gz	UARRRISFHVRVGQ-KEBDBYFISA-N	0	0	489.336	6.707	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214982297	569877047	/nfs/dbraw/zinc/87/70/47/569877047.db2.gz	LUZIZZXWMWGTTR-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccc(Br)cc1	ZINC000214907111	569877053	/nfs/dbraw/zinc/87/70/53/569877053.db2.gz	BSUGFMSOJNXLHY-OEAKJJBVSA-N	0	0	474.379	6.992	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000214920223	569877090	/nfs/dbraw/zinc/87/70/90/569877090.db2.gz	JIRZOMVPNLPCQF-RGVLZGJSSA-N	0	0	499.342	6.162	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000215027056	569877123	/nfs/dbraw/zinc/87/71/23/569877123.db2.gz	WJYBFJFMIZUXBK-VCHYOVAHSA-N	0	0	475.309	6.398	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3cccc4ccccc43)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000215017513	569877128	/nfs/dbraw/zinc/87/71/28/569877128.db2.gz	IWEHWBSKXMIHBC-WGOQTCKBSA-N	0	0	496.544	6.564	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC	ZINC000215280312	569877327	/nfs/dbraw/zinc/87/73/27/569877327.db2.gz	SBHNNVLPAXYRMC-LICLKQGHSA-N	0	0	493.335	5.001	40	5		JKBBRN
c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5ccccc54)c4ccccc43)ccc2c1	ZINC000222961219	569895497	/nfs/dbraw/zinc/89/54/97/569895497.db2.gz	FZVZZGGJKOFZSQ-UHFFFAOYSA-N	0	0	480.610	10.787	40	5		JKBBRN
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1	ZINC000222986318	569896186	/nfs/dbraw/zinc/89/61/86/569896186.db2.gz	QBOHRUKXYBWKIS-FCHUYYIVSA-N	0	0	452.536	5.031	40	5		JKBBRN
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1	ZINC000222986263	569896204	/nfs/dbraw/zinc/89/62/04/569896204.db2.gz	QBOHRUKXYBWKIS-YADHBBJMSA-N	0	0	452.536	5.031	40	5		JKBBRN
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1	ZINC000222986374	569896269	/nfs/dbraw/zinc/89/62/69/569896269.db2.gz	QBOHRUKXYBWKIS-FGZHOGPDSA-N	0	0	452.536	5.031	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1	ZINC000223118919	569899980	/nfs/dbraw/zinc/89/99/80/569899980.db2.gz	VTVCNVXSPCEKSZ-DNQXCXABSA-N	0	0	478.574	5.564	40	5		JKBBRN
COc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C(C)C	ZINC000223270208	569905547	/nfs/dbraw/zinc/90/55/47/569905547.db2.gz	FNPKKUOYNJVMGU-RHKYMZEHSA-N	0	0	458.558	6.453	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223320779	569907440	/nfs/dbraw/zinc/90/74/40/569907440.db2.gz	QXHJMBPTBVCNBY-AJTFRIOCSA-N	0	0	487.600	5.001	40	5		JKBBRN
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000223362498	569908766	/nfs/dbraw/zinc/90/87/66/569908766.db2.gz	JUEAQDAJIFCDFN-OAQYLSRUSA-N	0	0	492.041	5.204	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223406624	569910180	/nfs/dbraw/zinc/91/01/80/569910180.db2.gz	ITUGWKCLKDPDGG-RPWUZVMVSA-N	0	0	456.527	5.423	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223406669	569910201	/nfs/dbraw/zinc/91/02/01/569910201.db2.gz	ITUGWKCLKDPDGG-BJKOFHAPSA-N	0	0	456.527	5.423	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223433532	569911248	/nfs/dbraw/zinc/91/12/48/569911248.db2.gz	YJDLXXSJXAJMPE-AMGIVPHBSA-N	0	0	487.600	5.001	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223433472	569911252	/nfs/dbraw/zinc/91/12/52/569911252.db2.gz	YJDLXXSJXAJMPE-WXVAWEFUSA-N	0	0	487.600	5.001	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223437461	569911401	/nfs/dbraw/zinc/91/14/01/569911401.db2.gz	DXFCVCLAKMRJCX-JWQCQUIFSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223782661	569923178	/nfs/dbraw/zinc/92/31/78/569923178.db2.gz	KYLAKQQKRBOBST-DNQXCXABSA-N	0	0	472.526	5.436	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000223830213	569924559	/nfs/dbraw/zinc/92/45/59/569924559.db2.gz	HGPALJHWEJRCRU-JWQCQUIFSA-N	0	0	485.569	5.356	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000223829814	569924565	/nfs/dbraw/zinc/92/45/65/569924565.db2.gz	IFMRVRLSAFBHGG-DQEYMECFSA-N	0	0	485.569	5.356	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223833124	569924669	/nfs/dbraw/zinc/92/46/69/569924669.db2.gz	ZNXIFLSHPMDYAI-LOSJGSFVSA-N	0	0	486.553	5.826	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223841549	569924876	/nfs/dbraw/zinc/92/48/76/569924876.db2.gz	DWKUNRHONIEVBR-RPBOFIJWSA-N	0	0	486.553	5.826	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223841350	569924887	/nfs/dbraw/zinc/92/48/87/569924887.db2.gz	ROGYTNZJJMSZNA-LOSJGSFVSA-N	0	0	486.553	5.826	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223873024	569925814	/nfs/dbraw/zinc/92/58/14/569925814.db2.gz	IMPISVXFLQKTPB-PKTZIBPZSA-N	0	0	458.499	5.133	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223877105	569925942	/nfs/dbraw/zinc/92/59/42/569925942.db2.gz	HNQVGNOZMFMGIX-RPWUZVMVSA-N	0	0	488.525	5.141	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000223908726	569926943	/nfs/dbraw/zinc/92/69/43/569926943.db2.gz	PYRZFHBRVSGRRM-JWQCQUIFSA-N	0	0	484.585	5.024	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223990050	569929649	/nfs/dbraw/zinc/92/96/49/569929649.db2.gz	GHVXCBOFWQEPBW-JWQCQUIFSA-N	0	0	499.552	5.385	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223998160	569929900	/nfs/dbraw/zinc/92/99/00/569929900.db2.gz	DQBUQQFDGTZMDF-JWQCQUIFSA-N	0	0	499.552	5.385	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1	ZINC000224029050	569931171	/nfs/dbraw/zinc/93/11/71/569931171.db2.gz	VJGFKFHTMVGEMB-DNQXCXABSA-N	0	0	486.509	5.156	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1	ZINC000224037034	569931417	/nfs/dbraw/zinc/93/14/17/569931417.db2.gz	LWVMJCQZYHKVGR-ZEQRLZLVSA-N	0	0	486.509	5.156	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1	ZINC000224036977	569931434	/nfs/dbraw/zinc/93/14/34/569931434.db2.gz	LWVMJCQZYHKVGR-BJKOFHAPSA-N	0	0	486.509	5.156	40	5		JKBBRN
Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NC(C)(C)C	ZINC000224196964	569936067	/nfs/dbraw/zinc/93/60/67/569936067.db2.gz	RIBAFUCCGRISNP-AREMUKBSSA-N	0	0	487.600	5.001	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224221860	569937029	/nfs/dbraw/zinc/93/70/29/569937029.db2.gz	NQVXXWBENKKDME-RPWUZVMVSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224221946	569937057	/nfs/dbraw/zinc/93/70/57/569937057.db2.gz	NQVXXWBENKKDME-DNQXCXABSA-N	0	0	456.527	5.735	40	5		JKBBRN
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(-c2ccccc2)cc1	ZINC000224223426	569937069	/nfs/dbraw/zinc/93/70/69/569937069.db2.gz	AHYHGKYVHKVQEH-UHFFFAOYSA-N	0	0	468.509	6.410	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224222051	569937092	/nfs/dbraw/zinc/93/70/92/569937092.db2.gz	QMPFXEPEFLZJHZ-RPWUZVMVSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224222129	569937096	/nfs/dbraw/zinc/93/70/96/569937096.db2.gz	QMPFXEPEFLZJHZ-DNQXCXABSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224222082	569937118	/nfs/dbraw/zinc/93/71/18/569937118.db2.gz	QMPFXEPEFLZJHZ-BJKOFHAPSA-N	0	0	456.527	5.735	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224243591	569937874	/nfs/dbraw/zinc/93/78/74/569937874.db2.gz	FJDVVUWUYWSYGT-DEOSSOPVSA-N	0	0	483.634	5.003	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1	ZINC000224251583	569938152	/nfs/dbraw/zinc/93/81/52/569938152.db2.gz	KUFDBGXVEATMFB-DQEYMECFSA-N	0	0	486.553	5.744	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224254798	569938249	/nfs/dbraw/zinc/93/82/49/569938249.db2.gz	FPBYXGRFAZPVDA-RPWUZVMVSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224254552	569938254	/nfs/dbraw/zinc/93/82/54/569938254.db2.gz	XHDPJYUSXLJISX-ZEQRLZLVSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C	ZINC000224280884	569939155	/nfs/dbraw/zinc/93/91/55/569939155.db2.gz	JTNGBWNXIIYFGK-LOSJGSFVSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000224313449	569940150	/nfs/dbraw/zinc/94/01/50/569940150.db2.gz	ZXIFVDIUMLWPBV-JWQCQUIFSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224315774	569940225	/nfs/dbraw/zinc/94/02/25/569940225.db2.gz	RIZJRJGEFBRCBE-JWQCQUIFSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224322259	569940495	/nfs/dbraw/zinc/94/04/95/569940495.db2.gz	ZBKDHPOZKUOPTF-DQEYMECFSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224322205	569940502	/nfs/dbraw/zinc/94/05/02/569940502.db2.gz	JLGWIBLGYKILSP-JWQCQUIFSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224322399	569940535	/nfs/dbraw/zinc/94/05/35/569940535.db2.gz	ZBKDHPOZKUOPTF-JWQCQUIFSA-N	0	0	470.554	6.044	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224345642	569941322	/nfs/dbraw/zinc/94/13/22/569941322.db2.gz	KTHDXBZXYUHAHS-DQEYMECFSA-N	0	0	469.570	5.520	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224345982	569941369	/nfs/dbraw/zinc/94/13/69/569941369.db2.gz	VEWFVZBNHQEIMK-JWQCQUIFSA-N	0	0	469.570	5.520	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224348245	569941411	/nfs/dbraw/zinc/94/14/11/569941411.db2.gz	SHQOOYOHLJRIJG-JWQCQUIFSA-N	0	0	470.554	5.989	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224378136	569942493	/nfs/dbraw/zinc/94/24/93/569942493.db2.gz	KSSRULBACFGCLS-FTJBHMTQSA-N	0	0	483.597	6.081	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224380404	569942597	/nfs/dbraw/zinc/94/25/97/569942597.db2.gz	MMOKTWKZURPYQM-FTJBHMTQSA-N	0	0	484.581	6.550	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224386983	569942885	/nfs/dbraw/zinc/94/28/85/569942885.db2.gz	AECILSYTIXBVES-FTJBHMTQSA-N	0	0	484.581	6.550	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224415133	569943921	/nfs/dbraw/zinc/94/39/21/569943921.db2.gz	JLWJLQNXIDPMMG-DNQXCXABSA-N	0	0	490.516	5.575	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1	ZINC000224418465	569943930	/nfs/dbraw/zinc/94/39/30/569943930.db2.gz	CRLFMSXUHQVQOU-DHIUTWEWSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224418416	569943958	/nfs/dbraw/zinc/94/39/58/569943958.db2.gz	LUEFCOOXTQFHSQ-GOTSBHOMSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1	ZINC000224418510	569943971	/nfs/dbraw/zinc/94/39/71/569943971.db2.gz	CRLFMSXUHQVQOU-PKTZIBPZSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1	ZINC000224418587	569943996	/nfs/dbraw/zinc/94/39/96/569943996.db2.gz	CRLFMSXUHQVQOU-GOTSBHOMSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1	ZINC000224442971	569944706	/nfs/dbraw/zinc/94/47/06/569944706.db2.gz	JJUVPWRYAYPPTO-DHIUTWEWSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224445452	569944748	/nfs/dbraw/zinc/94/47/48/569944748.db2.gz	KJSMDVGYDWXHIT-GOTSBHOMSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224451844	569944946	/nfs/dbraw/zinc/94/49/46/569944946.db2.gz	RACSCUPHXNYNFJ-GOTSBHOMSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1	ZINC000224474571	569945582	/nfs/dbraw/zinc/94/55/82/569945582.db2.gz	CBHWADYYDBILOF-GOTSBHOMSA-N	0	0	475.961	5.611	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1	ZINC000224482410	569945865	/nfs/dbraw/zinc/94/58/65/569945865.db2.gz	LCIBJRSBXOMSRL-DHIUTWEWSA-N	0	0	476.945	6.080	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1	ZINC000224482457	569945884	/nfs/dbraw/zinc/94/58/84/569945884.db2.gz	LCIBJRSBXOMSRL-PKTZIBPZSA-N	0	0	476.945	6.080	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1	ZINC000224482526	569945901	/nfs/dbraw/zinc/94/59/01/569945901.db2.gz	LCIBJRSBXOMSRL-GOTSBHOMSA-N	0	0	476.945	6.080	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224493220	569946209	/nfs/dbraw/zinc/94/62/09/569946209.db2.gz	YHGVHJBENDZWDJ-NRFANRHFSA-N	0	0	492.403	5.310	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C(C)(C)C)cc1	ZINC000224526890	569947235	/nfs/dbraw/zinc/94/72/35/569947235.db2.gz	RGNRXUUPNIHXFP-UHFFFAOYSA-N	0	0	462.546	6.431	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1	ZINC000224623785	569951206	/nfs/dbraw/zinc/95/12/06/569951206.db2.gz	ZSVZKWBFZZDXDG-GOTSBHOMSA-N	0	0	458.499	5.133	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1	ZINC000224623742	569951246	/nfs/dbraw/zinc/95/12/46/569951246.db2.gz	ZSVZKWBFZZDXDG-XZOQPEGZSA-N	0	0	458.499	5.133	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc2ccccc21	ZINC000224636095	569951766	/nfs/dbraw/zinc/95/17/66/569951766.db2.gz	IBXPIKVIVWDXDK-UHFFFAOYSA-N	0	0	456.498	6.286	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc2ccccc21	ZINC000224636152	569951794	/nfs/dbraw/zinc/95/17/94/569951794.db2.gz	PWYYGPJIZKLPFB-UHFFFAOYSA-N	0	0	456.498	6.286	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccco3)cc2)cc1	ZINC000224760313	569956435	/nfs/dbraw/zinc/95/64/35/569956435.db2.gz	OGRJKHNOMWPBGY-DHIUTWEWSA-N	0	0	474.567	5.911	40	5		JKBBRN
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1	ZINC000224760375	569956445	/nfs/dbraw/zinc/95/64/45/569956445.db2.gz	FFSJDUMJACTHHH-DNQXCXABSA-N	0	0	488.594	6.220	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc[nH]3)cc2)cc1	ZINC000224761846	569956538	/nfs/dbraw/zinc/95/65/38/569956538.db2.gz	LHQTXIFVRSNUAU-XZOQPEGZSA-N	0	0	473.583	5.646	40	5		JKBBRN
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1	ZINC000224791112	569957737	/nfs/dbraw/zinc/95/77/37/569957737.db2.gz	KQLXEOUBZBHWKL-ZEQRLZLVSA-N	0	0	487.610	5.955	40	5		JKBBRN
Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NC1CCCC1	ZINC000224792638	569957831	/nfs/dbraw/zinc/95/78/31/569957831.db2.gz	WRUUBASAWIQFJM-MUUNZHRXSA-N	0	0	499.611	5.145	40	5		JKBBRN
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224812480	569958656	/nfs/dbraw/zinc/95/86/56/569958656.db2.gz	UHKUZMOXVPOYLS-HXUWFJFHSA-N	0	0	480.392	5.024	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1	ZINC000224881379	569961694	/nfs/dbraw/zinc/96/16/94/569961694.db2.gz	KMORXUVTJRITEM-GOTSBHOMSA-N	0	0	492.944	5.786	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1	ZINC000224887349	569961894	/nfs/dbraw/zinc/96/18/94/569961894.db2.gz	BALQOEMNPSHEND-DHIUTWEWSA-N	0	0	492.944	5.786	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1	ZINC000224887294	569961942	/nfs/dbraw/zinc/96/19/42/569961942.db2.gz	NPBMPCFBKHGKTC-GOTSBHOMSA-N	0	0	492.944	5.786	40	5		JKBBRN
C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224906320	569962800	/nfs/dbraw/zinc/96/28/00/569962800.db2.gz	VPKATHOOARWANZ-INIZCTEOSA-N	0	0	492.403	5.310	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F	ZINC000224908376	569962898	/nfs/dbraw/zinc/96/28/98/569962898.db2.gz	OZCLKDRQCOTHOP-BJKOFHAPSA-N	0	0	473.533	5.405	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F	ZINC000224908469	569962922	/nfs/dbraw/zinc/96/29/22/569962922.db2.gz	HECPNSCMXQBRMT-ZEQRLZLVSA-N	0	0	473.533	5.405	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F	ZINC000224910601	569963000	/nfs/dbraw/zinc/96/30/00/569963000.db2.gz	TWNGNTRSHVDMRX-BJKOFHAPSA-N	0	0	474.517	5.874	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F	ZINC000224916719	569963317	/nfs/dbraw/zinc/96/33/17/569963317.db2.gz	IUJUNNAEZSIYKP-ZEQRLZLVSA-N	0	0	474.517	5.874	40	5		JKBBRN
CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	ZINC000224937634	569964102	/nfs/dbraw/zinc/96/41/02/569964102.db2.gz	QSOVNVSGOUWBJT-KRWDZBQOSA-N	0	0	496.029	5.161	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1	ZINC000224946862	569964489	/nfs/dbraw/zinc/96/44/89/569964489.db2.gz	MYJOCSFLJPRIBR-UHFFFAOYSA-N	0	0	478.302	6.240	40	5		JKBBRN
CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br	ZINC000408600041	569968328	/nfs/dbraw/zinc/96/83/28/569968328.db2.gz	RVMWNZSVSYQMCG-GRSHGNNSSA-N	0	0	491.363	5.629	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225005652	569968738	/nfs/dbraw/zinc/96/87/38/569968738.db2.gz	QDFIVJCVGHPFRJ-DEOSSOPVSA-N	0	0	483.634	5.084	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408604030	569970233	/nfs/dbraw/zinc/97/02/33/569970233.db2.gz	CUOLQCDOMGDJOM-UHFFFAOYSA-N	0	0	457.870	5.746	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1	ZINC000225029716	569970234	/nfs/dbraw/zinc/97/02/34/569970234.db2.gz	HRQBTARWVOJQOQ-XZOQPEGZSA-N	0	0	464.547	5.174	40	5		JKBBRN
COc1cc(CNc2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408604117	569970256	/nfs/dbraw/zinc/97/02/56/569970256.db2.gz	DLAGUBYFWFUSFI-UHFFFAOYSA-N	0	0	487.261	7.333	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(F)c1	ZINC000408605619	569970846	/nfs/dbraw/zinc/97/08/46/569970846.db2.gz	GFYLOBRVJUKTDI-UHFFFAOYSA-N	0	0	475.314	6.086	40	5		JKBBRN
Cc1noc(/C=C/c2ccc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)c1[N+](=O)[O-]	ZINC000408607633	569971619	/nfs/dbraw/zinc/97/16/19/569971619.db2.gz	UDBQPRJOWHTVJU-QPJJXVBHSA-N	0	0	482.707	6.039	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	ZINC000408608973	569971973	/nfs/dbraw/zinc/97/19/73/569971973.db2.gz	NHPWNBHSKVBTMI-UHFFFAOYSA-N	0	0	481.763	7.145	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000408609059	569971980	/nfs/dbraw/zinc/97/19/80/569971980.db2.gz	NRMVQZWAEFUOJC-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1	ZINC000225053078	569972044	/nfs/dbraw/zinc/97/20/44/569972044.db2.gz	OGVSHSGEWHNHLC-CLJLJLNGSA-N	0	0	498.612	5.255	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1	ZINC000225055448	569972290	/nfs/dbraw/zinc/97/22/90/569972290.db2.gz	KLQOVDLNVAPPGI-UIOOFZCWSA-N	0	0	499.596	5.725	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1	ZINC000408610577	569972466	/nfs/dbraw/zinc/97/24/66/569972466.db2.gz	QHAYHDLXPFWSTC-UHFFFAOYSA-N	0	0	457.324	5.865	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408610667	569972543	/nfs/dbraw/zinc/97/25/43/569972543.db2.gz	RFDWSWCCFAGHBV-UHFFFAOYSA-N	0	0	497.813	6.588	40	5		JKBBRN
Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000408612187	569972954	/nfs/dbraw/zinc/97/29/54/569972954.db2.gz	UUMHZNSSHAZPCL-UHFFFAOYSA-N	0	0	460.317	5.840	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1	ZINC000408613135	569973338	/nfs/dbraw/zinc/97/33/38/569973338.db2.gz	XQOSXNHOTVJFQK-UHFFFAOYSA-N	0	0	453.325	7.246	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000408613703	569973381	/nfs/dbraw/zinc/97/33/81/569973381.db2.gz	ZLQFFQDDKNSABA-UHFFFAOYSA-N	0	0	481.763	7.145	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1	ZINC000408613603	569973386	/nfs/dbraw/zinc/97/33/86/569973386.db2.gz	YRWBVLGULASFMX-UHFFFAOYSA-N	0	0	475.314	6.086	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2)cc1	ZINC000408613574	569973448	/nfs/dbraw/zinc/97/34/48/569973448.db2.gz	YEXTWNREFQNXTA-UHFFFAOYSA-N	0	0	492.167	6.311	40	5		JKBBRN
COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1	ZINC000408621483	569978314	/nfs/dbraw/zinc/97/83/14/569978314.db2.gz	OFJDIGRMMVMFHQ-UHFFFAOYSA-N	0	0	471.307	5.506	40	5		JKBBRN
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C\c1csc(Nc2ccc(F)cc2)n1	ZINC000225252924	569986028	/nfs/dbraw/zinc/98/60/28/569986028.db2.gz	PUBLFFYIQBDTSC-VCHYOVAHSA-N	0	0	476.942	5.775	40	5		JKBBRN
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1	ZINC000408644235	569990690	/nfs/dbraw/zinc/99/06/90/569990690.db2.gz	SCUMVBOJMJCCSS-LJQANCHMSA-N	0	0	473.529	5.811	40	5		JKBBRN
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1	ZINC000408644234	569990707	/nfs/dbraw/zinc/99/07/07/569990707.db2.gz	SCUMVBOJMJCCSS-IBGZPJMESA-N	0	0	473.529	5.811	40	5		JKBBRN
O=C(COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1	ZINC000408644670	569990923	/nfs/dbraw/zinc/99/09/23/569990923.db2.gz	HQMNYLPRLNHLFU-UHFFFAOYSA-N	0	0	496.306	5.912	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O	ZINC000408646023	569991689	/nfs/dbraw/zinc/99/16/89/569991689.db2.gz	VJAJXSKYXSUIRP-GOSISDBHSA-N	0	0	475.501	5.004	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O	ZINC000408647150	569992233	/nfs/dbraw/zinc/99/22/33/569992233.db2.gz	WLJXSNMGSPAEPE-SFHVURJKSA-N	0	0	475.501	5.004	40	5		JKBBRN
O=[N+]([O-])c1ccc(N2N[C@](Cc3ccccc3)(c3ccc(-c4ccccc4)cc3)NC2=S)cc1	ZINC000225351044	569992270	/nfs/dbraw/zinc/99/22/70/569992270.db2.gz	FAUXLPBYAURBON-HHHXNRCGSA-N	0	0	466.566	5.557	40	5		JKBBRN
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000225352808	569992410	/nfs/dbraw/zinc/99/24/10/569992410.db2.gz	AQUOMLPFICGHDD-CLJLJLNGSA-N	0	0	499.596	5.745	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408649049	569993136	/nfs/dbraw/zinc/99/31/36/569993136.db2.gz	ZFVDYDSCEXPKBV-HXUWFJFHSA-N	0	0	467.481	5.532	40	5		JKBBRN
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-]	ZINC000408652918	569995209	/nfs/dbraw/zinc/99/52/09/569995209.db2.gz	IOKXMYPOVVZCSB-JUJAOGAQSA-N	0	0	479.319	5.001	40	5		JKBBRN
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-]	ZINC000408652916	569995238	/nfs/dbraw/zinc/99/52/38/569995238.db2.gz	IOKXMYPOVVZCSB-AGYDLCDTSA-N	0	0	479.319	5.001	40	5		JKBBRN
Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408659334	569999472	/nfs/dbraw/zinc/99/94/72/569999472.db2.gz	KTOPUOIXFGBOBM-IBGZPJMESA-N	0	0	458.514	5.188	40	5		JKBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1	ZINC000408666163	570004510	/nfs/dbraw/zinc/00/45/10/570004510.db2.gz	GHHPLAOQXUTIHY-UHFFFAOYSA-N	0	0	491.887	5.268	40	5		JKBBRN
CCC1(CC)C[C@@H](NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2O1	ZINC000225569006	570006335	/nfs/dbraw/zinc/00/63/35/570006335.db2.gz	BGKNXRYNGVUWPI-GBOLQPHISA-N	0	0	456.542	6.334	40	5		JKBBRN
CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225588243	570007998	/nfs/dbraw/zinc/00/79/98/570007998.db2.gz	RCRKJJIJMDNVNW-HTAPYJJXSA-N	0	0	492.041	5.204	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000408672502	570008272	/nfs/dbraw/zinc/00/82/72/570008272.db2.gz	NJJARYZHWXNTSA-UHFFFAOYSA-N	0	0	453.454	5.892	40	5		JKBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc32)c1	ZINC000408672836	570008474	/nfs/dbraw/zinc/00/84/74/570008474.db2.gz	XKDFVPVZYZBEAC-UHFFFAOYSA-N	0	0	485.496	5.231	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000408673962	570008940	/nfs/dbraw/zinc/00/89/40/570008940.db2.gz	WOYSAUBGGBLZQX-UHFFFAOYSA-N	0	0	453.454	5.892	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2Cl)cc1	ZINC000408681691	570012681	/nfs/dbraw/zinc/01/26/81/570012681.db2.gz	IFFIVFIJTNOMKB-JOCHJYFZSA-N	0	0	478.353	5.998	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)c(Cl)c2)cc1	ZINC000408681743	570012686	/nfs/dbraw/zinc/01/26/86/570012686.db2.gz	INYWEVVTJAHMHZ-JOCHJYFZSA-N	0	0	478.353	5.998	40	5		JKBBRN
CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1	ZINC000408683717	570013257	/nfs/dbraw/zinc/01/32/57/570013257.db2.gz	NNVLQPYOYUJBHJ-VWNXMTODSA-N	0	0	481.508	5.360	40	5		JKBBRN
CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1	ZINC000408683716	570013280	/nfs/dbraw/zinc/01/32/80/570013280.db2.gz	NNVLQPYOYUJBHJ-UPVQGACJSA-N	0	0	481.508	5.360	40	5		JKBBRN
CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1	ZINC000408683714	570013292	/nfs/dbraw/zinc/01/32/92/570013292.db2.gz	NNVLQPYOYUJBHJ-ISKFKSNPSA-N	0	0	481.508	5.360	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225670859	570013675	/nfs/dbraw/zinc/01/36/75/570013675.db2.gz	CIGOLKZJJOSZTQ-YWZLYKJASA-N	0	0	480.392	5.166	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225698479	570015815	/nfs/dbraw/zinc/01/58/15/570015815.db2.gz	RXNIGIUVPMQHHA-YWZLYKJASA-N	0	0	480.392	5.166	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1	ZINC000408693632	570016277	/nfs/dbraw/zinc/01/62/77/570016277.db2.gz	BGCPQYBGXMBSAB-UHFFFAOYSA-N	0	0	472.263	5.541	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1	ZINC000408693699	570016305	/nfs/dbraw/zinc/01/63/05/570016305.db2.gz	CAQACGQGEFOOID-UHFFFAOYSA-N	0	0	454.273	5.402	40	5		JKBBRN
CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1	ZINC000408694033	570016643	/nfs/dbraw/zinc/01/66/43/570016643.db2.gz	HLMXNNPBTSXUDF-UHFFFAOYSA-N	0	0	463.881	5.147	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1	ZINC000408694648	570017150	/nfs/dbraw/zinc/01/71/50/570017150.db2.gz	LHQMMBPMCBJOCK-UHFFFAOYSA-N	0	0	454.273	5.402	40	5		JKBBRN
Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1Cl	ZINC000408695607	570017925	/nfs/dbraw/zinc/01/79/25/570017925.db2.gz	ROZVOKVBPMFGBZ-UHFFFAOYSA-N	0	0	468.300	5.710	40	5		JKBBRN
Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1	ZINC000408695609	570017931	/nfs/dbraw/zinc/01/79/31/570017931.db2.gz	RPODHJGAJQNQGM-UHFFFAOYSA-N	0	0	468.300	5.710	40	5		JKBBRN
CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC(C)C	ZINC000225757150	570020449	/nfs/dbraw/zinc/02/04/49/570020449.db2.gz	VVDINQDXCGKKGJ-UHFFFAOYSA-N	0	0	454.523	5.399	40	5		JKBBRN
CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(=O)(=O)c1ccc(SC)cc1	ZINC000408700816	570021405	/nfs/dbraw/zinc/02/14/05/570021405.db2.gz	MLIWXJSMOAPHLL-UHFFFAOYSA-N	0	0	485.587	5.093	40	5		JKBBRN
COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-]	ZINC000408721948	570027177	/nfs/dbraw/zinc/02/71/77/570027177.db2.gz	BPUDUILBFNVWAH-UHFFFAOYSA-N	0	0	476.470	5.554	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)o1	ZINC000408725229	570027944	/nfs/dbraw/zinc/02/79/44/570027944.db2.gz	DOAISUOSXITPQC-GRSHGNNSSA-N	0	0	475.309	6.711	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000408727455	570028333	/nfs/dbraw/zinc/02/83/33/570028333.db2.gz	YSXONFMIYLPWAH-NSIKDUERSA-N	0	0	474.119	5.905	40	5		JKBBRN
CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000408729749	570028788	/nfs/dbraw/zinc/02/87/88/570028788.db2.gz	CJTPXDLICMGYNC-JOCHJYFZSA-N	0	0	497.960	5.781	40	5		JKBBRN
Cc1sc2nc(-c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)[nH]c(=O)c2c1C	ZINC000408734939	570029972	/nfs/dbraw/zinc/02/99/72/570029972.db2.gz	LSOZZZYDMKILNC-UHFFFAOYSA-N	0	0	457.511	6.321	40	5		JKBBRN
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1	ZINC000408736411	570030438	/nfs/dbraw/zinc/03/04/38/570030438.db2.gz	BTICZRKZHFLEEZ-SANMLTNESA-N	0	0	479.536	5.093	40	5		JKBBRN
CC(C)c1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1	ZINC000408736762	570030597	/nfs/dbraw/zinc/03/05/97/570030597.db2.gz	HESQADPMGYPLNW-XMMPIXPASA-N	0	0	461.518	5.194	40	5		JKBBRN
Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1	ZINC000408736970	570030699	/nfs/dbraw/zinc/03/06/99/570030699.db2.gz	KJBFRMSZLZFJAQ-HHHXNRCGSA-N	0	0	493.563	5.401	40	5		JKBBRN
O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1	ZINC000408739375	570031502	/nfs/dbraw/zinc/03/15/02/570031502.db2.gz	ZUAHZOIOFJJBEY-QFIPXVFZSA-N	0	0	491.525	5.012	40	5		JKBBRN
O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1	ZINC000408739374	570031535	/nfs/dbraw/zinc/03/15/35/570031535.db2.gz	ZUAHZOIOFJJBEY-JOCHJYFZSA-N	0	0	491.525	5.012	40	5		JKBBRN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1	ZINC000408749188	570033471	/nfs/dbraw/zinc/03/34/71/570033471.db2.gz	FHYIIXGJEXKEFK-UHFFFAOYSA-N	0	0	465.487	5.437	40	5		JKBBRN
O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000408751000	570034175	/nfs/dbraw/zinc/03/41/75/570034175.db2.gz	VFCVHIPYESGCQO-IAGOWNOFSA-N	0	0	453.545	5.176	40	5		JKBBRN
COc1ccc(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1	ZINC000408751089	570034282	/nfs/dbraw/zinc/03/42/82/570034282.db2.gz	WHXNQWKGDBNWRF-UHFFFAOYSA-N	0	0	477.523	5.306	40	5		JKBBRN
Cc1cccc(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1	ZINC000408751442	570034422	/nfs/dbraw/zinc/03/44/22/570034422.db2.gz	ZLMVTEFXSASPTA-UHFFFAOYSA-N	0	0	461.524	5.606	40	5		JKBBRN
COCCCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)cc2C)C1=O	ZINC000408755298	570035387	/nfs/dbraw/zinc/03/53/87/570035387.db2.gz	DDUWAHMKYVJKIX-UHFFFAOYSA-N	0	0	483.318	5.118	40	5		JKBBRN
Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1	ZINC000408756693	570035676	/nfs/dbraw/zinc/03/56/76/570035676.db2.gz	IYZGRZYRPUOHLU-UHFFFAOYSA-N	0	0	457.873	6.254	40	5		JKBBRN
CN(C)c1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000408758006	570036060	/nfs/dbraw/zinc/03/60/60/570036060.db2.gz	UEOFYMPNEVQZEI-UHFFFAOYSA-N	0	0	486.915	6.012	40	5		JKBBRN
Cc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1C	ZINC000408757871	570036092	/nfs/dbraw/zinc/03/60/92/570036092.db2.gz	RAXUAGVDKWYPMO-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
Cc1cc([N+](=O)[O-])cc2nc(-c3cc(I)ccc3Br)oc21	ZINC000226248720	570037360	/nfs/dbraw/zinc/03/73/60/570037360.db2.gz	OCBSHZZPBVHIJT-UHFFFAOYSA-N	0	0	459.037	5.079	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)S2)cc1	ZINC000408773823	570039621	/nfs/dbraw/zinc/03/96/21/570039621.db2.gz	JFYJQGUXGGSRDD-MFCBUNOESA-N	0	0	484.581	5.760	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1	ZINC000408786841	570043289	/nfs/dbraw/zinc/04/32/89/570043289.db2.gz	ONJRNTZGSCHBEQ-AFHVAHMMSA-N	0	0	455.923	5.670	40	5		JKBBRN
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1	ZINC000408798441	570044789	/nfs/dbraw/zinc/04/47/89/570044789.db2.gz	FFISDDKHGPKURW-UHFFFAOYSA-N	0	0	470.914	5.588	40	5		JKBBRN
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1	ZINC000408800427	570045320	/nfs/dbraw/zinc/04/53/20/570045320.db2.gz	PGFVUCACMJDBQY-UHFFFAOYSA-N	0	0	456.887	5.280	40	5		JKBBRN
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1Nc1ccccc1	ZINC000408801652	570045753	/nfs/dbraw/zinc/04/57/53/570045753.db2.gz	WRFQPQSYHMTHNS-CLFKFXSOSA-N	0	0	488.589	6.909	40	5		JKBBRN
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1Nc1ccccc1	ZINC000408803619	570046607	/nfs/dbraw/zinc/04/66/07/570046607.db2.gz	RHTZJKPEAINNJI-BETROHKMSA-N	0	0	477.653	8.047	40	5		JKBBRN
Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1	ZINC000408806860	570047803	/nfs/dbraw/zinc/04/78/03/570047803.db2.gz	CABOPMGLDHIKCJ-UHFFFAOYSA-N	0	0	475.333	6.233	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccccc1	ZINC000408807671	570048148	/nfs/dbraw/zinc/04/81/48/570048148.db2.gz	DHRUWOZSMSXARO-UCQKPKSFSA-N	0	0	455.495	5.839	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccccc1	ZINC000408811325	570049154	/nfs/dbraw/zinc/04/91/54/570049154.db2.gz	KXBWZWZLITUEGZ-UCQKPKSFSA-N	0	0	455.495	5.839	40	5		JKBBRN
Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1	ZINC000408811487	570049269	/nfs/dbraw/zinc/04/92/69/570049269.db2.gz	NTFSEGLFTWJTHF-UHFFFAOYSA-N	0	0	480.953	5.899	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408812357	570049507	/nfs/dbraw/zinc/04/95/07/570049507.db2.gz	ONVNUXHQFRCHDT-MTJSOVHGSA-N	0	0	493.453	5.545	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000408812987	570049572	/nfs/dbraw/zinc/04/95/72/570049572.db2.gz	CNZQEISARNZOKT-XKZIYDEJSA-N	0	0	462.483	5.423	40	5		JKBBRN
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1Nc1ccccc1	ZINC000408814878	570050099	/nfs/dbraw/zinc/05/00/99/570050099.db2.gz	SLYODPAWESYEGL-CLFKFXSOSA-N	0	0	488.589	6.909	40	5		JKBBRN
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1	ZINC000408816407	570050576	/nfs/dbraw/zinc/05/05/76/570050576.db2.gz	RTPJXLGWENIERB-UHFFFAOYSA-N	0	0	496.952	5.599	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408816907	570050835	/nfs/dbraw/zinc/05/08/35/570050835.db2.gz	MLTOATKYYPQLDR-BKUYFWCQSA-N	0	0	496.928	6.077	40	5		JKBBRN
Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1	ZINC000408816886	570050838	/nfs/dbraw/zinc/05/08/38/570050838.db2.gz	UXDFEXWRIHNOEQ-UHFFFAOYSA-N	0	0	454.915	5.888	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1	ZINC000408822474	570052155	/nfs/dbraw/zinc/05/21/55/570052155.db2.gz	BVDKEEGEEIURPS-UHFFFAOYSA-N	0	0	477.545	7.305	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000408823516	570052217	/nfs/dbraw/zinc/05/22/17/570052217.db2.gz	DSVSVGPZOMFHTK-UHFFFAOYSA-N	0	0	474.498	6.163	40	5		JKBBRN
COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Cl)cc3)s2)cc1	ZINC000408832142	570052766	/nfs/dbraw/zinc/05/27/66/570052766.db2.gz	QAJGWEYKTVRXLG-UHFFFAOYSA-N	0	0	465.918	6.300	40	5		JKBBRN
O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1	ZINC000408840207	570053476	/nfs/dbraw/zinc/05/34/76/570053476.db2.gz	YJLUCRYHPQDJNA-NTUHNPAUSA-N	0	0	463.696	5.570	40	5		JKBBRN
O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1	ZINC000408845713	570054451	/nfs/dbraw/zinc/05/44/51/570054451.db2.gz	RAVLUKDROFJDGO-UHFFFAOYSA-N	0	0	491.912	5.363	40	5		JKBBRN
O=C(Oc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408849576	570055273	/nfs/dbraw/zinc/05/52/73/570055273.db2.gz	ZIISPWXHXJBMGD-YBFXNURJSA-N	0	0	483.263	5.465	40	5		JKBBRN
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000408906500	570070876	/nfs/dbraw/zinc/07/08/76/570070876.db2.gz	CBCKVYZTSHFJLZ-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)o1	ZINC000408916255	570075436	/nfs/dbraw/zinc/07/54/36/570075436.db2.gz	AICGDPFHQWUOPA-RGVLZGJSSA-N	0	0	465.443	5.308	40	5		JKBBRN
Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cccc1[N+](=O)[O-]	ZINC000408921916	570077501	/nfs/dbraw/zinc/07/75/01/570077501.db2.gz	LKLHYADKNMCPHE-UHFFFAOYSA-N	0	0	461.499	5.110	40	5		JKBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000408926865	570078824	/nfs/dbraw/zinc/07/88/24/570078824.db2.gz	WOPATTHQNUGFEB-AWNIVKPZSA-N	0	0	491.447	5.066	40	5		JKBBRN
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1	ZINC000408931996	570080323	/nfs/dbraw/zinc/08/03/23/570080323.db2.gz	AOPQWTFVKVVPMZ-JAIQZWGSSA-N	0	0	497.916	5.492	40	5		JKBBRN
O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccccc1[N+](=O)[O-]	ZINC000408969958	570088620	/nfs/dbraw/zinc/08/86/20/570088620.db2.gz	XTFWOVDIGVCIQH-WZUFQYTHSA-N	0	0	453.690	6.114	40	5		JKBBRN
O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000408974551	570089436	/nfs/dbraw/zinc/08/94/36/570089436.db2.gz	ZPPHUGFJMXIIIZ-XGICHPGQSA-N	0	0	453.690	6.114	40	5		JKBBRN
CN(C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccc2ccccc2c1	ZINC000408974666	570089479	/nfs/dbraw/zinc/08/94/79/570089479.db2.gz	GKEUXPCLHPPGKT-UHFFFAOYSA-N	0	0	465.516	6.309	40	5		JKBBRN
S=C(Nc1ccc2ccccc2c1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1	ZINC000408975403	570089655	/nfs/dbraw/zinc/08/96/55/570089655.db2.gz	JKRAGLLSOIACII-UHFFFAOYSA-N	0	0	482.572	6.842	40	5		JKBBRN
O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccc2)CC1	ZINC000408975895	570089776	/nfs/dbraw/zinc/08/97/76/570089776.db2.gz	OVUUIELFAUSVHC-UHFFFAOYSA-N	0	0	485.551	5.234	40	5		JKBBRN
S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)Nc1cccc2ccccc21	ZINC000408975686	570089786	/nfs/dbraw/zinc/08/97/86/570089786.db2.gz	LMAHZGZPBKYSKV-UHFFFAOYSA-N	0	0	482.572	6.842	40	5		JKBBRN
Cc1ccc(N2C(=N)S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1C	ZINC000408977255	570090119	/nfs/dbraw/zinc/09/01/19/570090119.db2.gz	WFKLVQRXYURSHE-IBMPOVEYSA-N	0	0	453.907	6.181	40	5		JKBBRN
Cc1ccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1C	ZINC000408977700	570090177	/nfs/dbraw/zinc/09/01/77/570090177.db2.gz	XRFKIQZSOPBMJF-UHFFFAOYSA-N	0	0	460.566	6.305	40	5		JKBBRN
O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1	ZINC000408977745	570090193	/nfs/dbraw/zinc/09/01/93/570090193.db2.gz	XJBWKXDKOMIIBL-FQEVSTJZSA-N	0	0	455.521	5.509	40	5		JKBBRN
O=c1[nH]c(-c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)nc2sc3c(c21)CCCCC3	ZINC000408990783	570093899	/nfs/dbraw/zinc/09/38/99/570093899.db2.gz	MABZAEZKIHCOKE-UHFFFAOYSA-N	0	0	496.595	6.595	40	5		JKBBRN
O=c1[nH]c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)nc2sc3c(c21)CCCCCC3	ZINC000408993183	570094673	/nfs/dbraw/zinc/09/46/73/570094673.db2.gz	VPUBFBCLWDFPLO-UHFFFAOYSA-N	0	0	461.543	6.210	40	5		JKBBRN
CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@@H]1c1ccccc1OCC	ZINC000408993322	570094736	/nfs/dbraw/zinc/09/47/36/570094736.db2.gz	WEERYAQGPOBALV-JOCHJYFZSA-N	0	0	465.531	5.289	40	5		JKBBRN
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F)C(c1ccccc1)c1ccccc1	ZINC000408997208	570095546	/nfs/dbraw/zinc/09/55/46/570095546.db2.gz	CNSUGEOFBSIMSB-SANMLTNESA-N	0	0	497.526	5.232	40	5		JKBBRN
CCN1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408999513	570096100	/nfs/dbraw/zinc/09/61/00/570096100.db2.gz	LMFFTGNVCWCBRR-UHFFFAOYSA-N	0	0	468.307	5.487	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](C)Oc2ccc(Cl)cc2Cl)o1	ZINC000409004974	570097636	/nfs/dbraw/zinc/09/76/36/570097636.db2.gz	COCSQQUONYFYNQ-NSHDSACASA-N	0	0	483.333	5.464	40	5		JKBBRN
O=C1NC(=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1ccccc1	ZINC000409014160	570100499	/nfs/dbraw/zinc/10/04/99/570100499.db2.gz	PDHGUVQGSXPMGW-UDWIEESQSA-N	0	0	484.295	5.578	40	5		JKBBRN
C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])o1	ZINC000409019995	570102632	/nfs/dbraw/zinc/10/26/32/570102632.db2.gz	YOCPFGFGUIRXSJ-JTQLQIEISA-N	0	0	469.306	5.155	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000409021556	570103150	/nfs/dbraw/zinc/10/31/50/570103150.db2.gz	NGOSLDDOWJTKNE-WQRHYEAKSA-N	0	0	488.999	6.697	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409022543	570103364	/nfs/dbraw/zinc/10/33/64/570103364.db2.gz	RMWBIUORNBTWND-UHFFFAOYSA-N	0	0	490.475	6.638	40	5		JKBBRN
CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)[C@@H]5CCCC[C@@H]5N4)cc3[N+](=O)[O-])sc2c1	ZINC000253566836	570103764	/nfs/dbraw/zinc/10/37/64/570103764.db2.gz	JLCWXXGKLDNDHR-XFQAVAEZSA-N	0	0	484.603	5.031	40	5		JKBBRN
Cc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1C	ZINC000409023793	570103803	/nfs/dbraw/zinc/10/38/03/570103803.db2.gz	PXVSGYDTCKGASU-UHFFFAOYSA-N	0	0	473.532	7.346	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1Cl	ZINC000409051079	570109921	/nfs/dbraw/zinc/10/99/21/570109921.db2.gz	IIZPGNVEHARWIR-UHFFFAOYSA-N	0	0	488.327	7.084	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1	ZINC000409052047	570110199	/nfs/dbraw/zinc/11/01/99/570110199.db2.gz	FVLOWYIFKAAVLJ-UHFFFAOYSA-N	0	0	453.882	6.430	40	5		JKBBRN
COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1	ZINC000409053890	570110916	/nfs/dbraw/zinc/11/09/16/570110916.db2.gz	RRYNSMSJSQXLRR-UHFFFAOYSA-N	0	0	479.489	5.794	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1	ZINC000409054103	570111062	/nfs/dbraw/zinc/11/10/62/570111062.db2.gz	RHARSMBEMATCSF-QRVIBDJDSA-N	0	0	494.956	6.372	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Br	ZINC000409054652	570111094	/nfs/dbraw/zinc/11/10/94/570111094.db2.gz	UYZOHABOQWUGJY-UHFFFAOYSA-N	0	0	498.333	6.539	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(-c2ccccc2)cc1	ZINC000409055751	570111632	/nfs/dbraw/zinc/11/16/32/570111632.db2.gz	PQZVFCNNSZFRGB-UHFFFAOYSA-N	0	0	495.535	7.444	40	5		JKBBRN
CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O	ZINC000409062709	570115213	/nfs/dbraw/zinc/11/52/13/570115213.db2.gz	ZKMXZPWYTHPAOA-UNOMPAQXSA-N	0	0	491.363	5.773	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccccc1Cl	ZINC000409063722	570115545	/nfs/dbraw/zinc/11/55/45/570115545.db2.gz	BLWKUGNKDVOXKS-QRVIBDJDSA-N	0	0	489.940	6.492	40	5		JKBBRN
O=C1N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1Cc1ccccc1F	ZINC000409069168	570117551	/nfs/dbraw/zinc/11/75/51/570117551.db2.gz	HYJVDAFUKKHAED-MFKUBSTISA-N	0	0	497.482	5.559	40	5		JKBBRN
O=C1NC(=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1cccc(Cl)c1	ZINC000409069054	570117581	/nfs/dbraw/zinc/11/75/81/570117581.db2.gz	VSFCFRPGIQSJOX-FRKPEAEDSA-N	0	0	478.675	5.912	40	5		JKBBRN
CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000409081682	570121811	/nfs/dbraw/zinc/12/18/11/570121811.db2.gz	QCKFTYPXQLYGIO-STZFKDTASA-N	0	0	485.993	5.560	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1	ZINC000409086983	570123516	/nfs/dbraw/zinc/12/35/16/570123516.db2.gz	IDEFIPOZAAVECM-UHFFFAOYSA-N	0	0	476.867	6.666	40	5		JKBBRN
Cc1ccc(Cl)cc1NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409088607	570124051	/nfs/dbraw/zinc/12/40/51/570124051.db2.gz	FWHNYJCWGYMLGX-UHFFFAOYSA-N	0	0	493.950	7.691	40	5		JKBBRN
CCOc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1	ZINC000409089382	570124298	/nfs/dbraw/zinc/12/42/98/570124298.db2.gz	ICYQHQXOXGFVTP-UHFFFAOYSA-N	0	0	489.531	7.128	40	5		JKBBRN
COc1ccccc1NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409090075	570124440	/nfs/dbraw/zinc/12/44/40/570124440.db2.gz	OOYBZDBRRZYSQS-UHFFFAOYSA-N	0	0	475.504	6.738	40	5		JKBBRN
Cc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C	ZINC000409090607	570124726	/nfs/dbraw/zinc/12/47/26/570124726.db2.gz	ROKVXXUBELJHEZ-UHFFFAOYSA-N	0	0	484.503	6.553	40	5		JKBBRN
O=C1N/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1C1CCCCC1	ZINC000409092868	570125343	/nfs/dbraw/zinc/12/53/43/570125343.db2.gz	WKSLSIOVEOHCCV-MOSHPQCFSA-N	0	0	455.898	5.053	40	5		JKBBRN
O=C1NC(=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1c1cccc(Cl)c1	ZINC000409093859	570125911	/nfs/dbraw/zinc/12/59/11/570125911.db2.gz	BAMOZUVWSCLNSM-BUVRLJJBSA-N	0	0	499.910	6.078	40	5		JKBBRN
CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409095897	570126498	/nfs/dbraw/zinc/12/64/98/570126498.db2.gz	ISGFARDADYSWKJ-CIAFOILYSA-N	0	0	493.903	5.323	40	5		JKBBRN
CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O	ZINC000409095932	570126543	/nfs/dbraw/zinc/12/65/43/570126543.db2.gz	JBEFNCBMHZKRBL-CXUHLZMHSA-N	0	0	497.754	5.646	40	5		JKBBRN
Cc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000409096494	570126837	/nfs/dbraw/zinc/12/68/37/570126837.db2.gz	LFWDQSWAIRGAAY-UHFFFAOYSA-N	0	0	470.476	6.245	40	5		JKBBRN
O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000409100883	570128394	/nfs/dbraw/zinc/12/83/94/570128394.db2.gz	VSJLTMDWNSCVDH-NVMNQCDNSA-N	0	0	474.822	6.339	40	5		JKBBRN
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O	ZINC000409105920	570130186	/nfs/dbraw/zinc/13/01/86/570130186.db2.gz	JZLSBEXYGDCSFL-DTQASYIRSA-N	0	0	496.419	5.004	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409108363	570131135	/nfs/dbraw/zinc/13/11/35/570131135.db2.gz	WQUZTQGOSAZLDC-WOJGMQOQSA-N	0	0	462.911	5.282	40	5		JKBBRN
COc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1	ZINC000409108528	570131273	/nfs/dbraw/zinc/13/12/73/570131273.db2.gz	WNGOCEMHLDCBIQ-UHFFFAOYSA-N	0	0	452.923	5.797	40	5		JKBBRN
Cc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl	ZINC000409109695	570131733	/nfs/dbraw/zinc/13/17/33/570131733.db2.gz	JKWJVJDOBOQLEY-UHFFFAOYSA-N	0	0	451.737	7.055	40	5		JKBBRN
Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409110506	570131960	/nfs/dbraw/zinc/13/19/60/570131960.db2.gz	CWEKEAXQFSMOJZ-UHFFFAOYSA-N	0	0	461.743	6.510	40	5		JKBBRN
CCCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21	ZINC000409111864	570132387	/nfs/dbraw/zinc/13/23/87/570132387.db2.gz	CROZBGRGCYNQPS-STZFKDTASA-N	0	0	493.357	6.234	40	5		JKBBRN
CCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(C)cc3)c(=O)c2c1C	ZINC000409112276	570132664	/nfs/dbraw/zinc/13/26/64/570132664.db2.gz	KZKSYOIDYPIFQJ-UHFFFAOYSA-N	0	0	451.573	5.827	40	5		JKBBRN
CCOc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1	ZINC000409112651	570132781	/nfs/dbraw/zinc/13/27/81/570132781.db2.gz	FNYQGLUKHKUESI-UHFFFAOYSA-N	0	0	457.324	5.947	40	5		JKBBRN
CCCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c2ccccc21	ZINC000409112874	570132901	/nfs/dbraw/zinc/13/29/01/570132901.db2.gz	CKTVHOMSGZVHLO-BKUYFWCQSA-N	0	0	478.932	6.133	40	5		JKBBRN
CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(OCC)cc3)c(=O)c2c1C	ZINC000409113066	570132920	/nfs/dbraw/zinc/13/29/20/570132920.db2.gz	HWHOXHFFNAENJO-UHFFFAOYSA-N	0	0	495.626	6.307	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1	ZINC000409113352	570133073	/nfs/dbraw/zinc/13/30/73/570133073.db2.gz	AKGTVDNXEGJVTL-HHHXNRCGSA-N	0	0	494.507	5.864	40	5		JKBBRN
Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl	ZINC000409113723	570133139	/nfs/dbraw/zinc/13/31/39/570133139.db2.gz	DYHMSOODKGIZHP-UHFFFAOYSA-N	0	0	461.743	6.510	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])N1Cc1ccccc1	ZINC000409114760	570133494	/nfs/dbraw/zinc/13/34/94/570133494.db2.gz	QCHGQRGVDDIMCX-HHHXNRCGSA-N	0	0	494.507	5.864	40	5		JKBBRN
COc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	ZINC000409117125	570134452	/nfs/dbraw/zinc/13/44/52/570134452.db2.gz	NMGDDMKPRFXIFB-UHFFFAOYSA-N	0	0	473.323	5.566	40	5		JKBBRN
CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000409118020	570134690	/nfs/dbraw/zinc/13/46/90/570134690.db2.gz	MPECXSVUDYAUKP-STZFKDTASA-N	0	0	479.330	5.843	40	5		JKBBRN
COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409118577	570134963	/nfs/dbraw/zinc/13/49/63/570134963.db2.gz	OILFBMCCGCOEAC-UUYOSTAYSA-N	0	0	492.959	6.379	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(Cl)c2)N1Cc1ccccc1	ZINC000409118644	570134984	/nfs/dbraw/zinc/13/49/84/570134984.db2.gz	QDPOLUPVIJRJFN-MHZLTWQESA-N	0	0	483.955	6.610	40	5		JKBBRN
CCOc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000409124621	570137376	/nfs/dbraw/zinc/13/73/76/570137376.db2.gz	JZCCRQOGBHFZGT-LJAQVGFWSA-N	0	0	493.563	6.355	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CCCc1ccccc1	ZINC000409135273	570142029	/nfs/dbraw/zinc/14/20/29/570142029.db2.gz	XZBQUIJNVCUBJW-JJIBRWJFSA-N	0	0	474.538	5.843	40	5		JKBBRN
COc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409135898	570142261	/nfs/dbraw/zinc/14/22/61/570142261.db2.gz	SVXBEBRIGGOGHE-UHFFFAOYSA-N	0	0	491.769	6.519	40	5		JKBBRN
COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409141706	570145007	/nfs/dbraw/zinc/14/50/07/570145007.db2.gz	WLHKDLUBQCAZAY-LICLKQGHSA-N	0	0	483.329	5.163	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000409144773	570146407	/nfs/dbraw/zinc/14/64/07/570146407.db2.gz	PVGYEMRAMXYDNF-YDZHTSKRSA-N	0	0	482.558	5.799	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc(Br)c1	ZINC000409151524	570149298	/nfs/dbraw/zinc/14/92/98/570149298.db2.gz	HMASIHKNQFOOBX-YBFXNURJSA-N	0	0	485.315	5.854	40	5		JKBBRN
CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000409161086	570152015	/nfs/dbraw/zinc/15/20/15/570152015.db2.gz	WEUWXNYSPXAPMD-UHFFFAOYSA-N	0	0	483.594	5.256	40	5		JKBBRN
O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1cccc(Br)c1	ZINC000409163254	570152655	/nfs/dbraw/zinc/15/26/55/570152655.db2.gz	OKTBDBVCASWHMU-OEAKJJBVSA-N	0	0	474.379	6.992	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(Cl)c1	ZINC000409164266	570152827	/nfs/dbraw/zinc/15/28/27/570152827.db2.gz	FVTNMQYSSHRROG-YBFXNURJSA-N	0	0	483.889	5.183	40	5		JKBBRN
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O	ZINC000409164626	570153009	/nfs/dbraw/zinc/15/30/09/570153009.db2.gz	LEODAQUUBYRMFQ-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1cccc(Cl)c1	ZINC000409169872	570154528	/nfs/dbraw/zinc/15/45/28/570154528.db2.gz	SMGPFTCQVBHKPM-YBFXNURJSA-N	0	0	483.889	5.183	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1cccc(Br)c1	ZINC000409170485	570154737	/nfs/dbraw/zinc/15/47/37/570154737.db2.gz	UYMZJXPOMMORKU-YBFXNURJSA-N	0	0	485.315	5.854	40	5		JKBBRN
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O	ZINC000409170580	570154741	/nfs/dbraw/zinc/15/47/41/570154741.db2.gz	WKRWQUQKSCMXAT-BUVRLJJBSA-N	0	0	466.562	6.285	40	5		JKBBRN
Cc1ccc(OCc2nn(CC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c(=S)o2)cc1	ZINC000409171153	570154958	/nfs/dbraw/zinc/15/49/58/570154958.db2.gz	ZDNHXIGYFNGIDA-UHFFFAOYSA-N	0	0	497.558	5.072	40	5		JKBBRN
Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000409171585	570155056	/nfs/dbraw/zinc/15/50/56/570155056.db2.gz	AGTAXOZZFSEWGP-VWLOTQADSA-N	0	0	480.904	5.443	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1	ZINC000409171586	570155121	/nfs/dbraw/zinc/15/51/21/570155121.db2.gz	AHYMTXRWVCUTCF-UHFFFAOYSA-N	0	0	494.459	5.545	40	5		JKBBRN
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](C)Oc1ccccc1Cl	ZINC000409172013	570155269	/nfs/dbraw/zinc/15/52/69/570155269.db2.gz	AUYNSZMYVJZKKV-AWEZNQCLSA-N	0	0	475.958	5.039	40	5		JKBBRN
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1	ZINC000409172066	570155309	/nfs/dbraw/zinc/15/53/09/570155309.db2.gz	BLBHGMOVFKGYCL-UDWIEESQSA-N	0	0	495.538	5.252	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1	ZINC000409172612	570155448	/nfs/dbraw/zinc/15/54/48/570155448.db2.gz	DNYMBDNTTCTCHQ-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000409172962	570155656	/nfs/dbraw/zinc/15/56/56/570155656.db2.gz	JUKMAIUGTUAEKR-HHHXNRCGSA-N	0	0	494.503	5.937	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000409175238	570156576	/nfs/dbraw/zinc/15/65/76/570156576.db2.gz	YKTUJEVSLUKRJY-UHFFFAOYSA-N	0	0	473.506	5.374	40	5		JKBBRN
Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000409176382	570157074	/nfs/dbraw/zinc/15/70/74/570157074.db2.gz	MBCCNBRYYKJKLF-RUZDIDTESA-N	0	0	480.904	5.443	40	5		JKBBRN
O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	ZINC000409176665	570157117	/nfs/dbraw/zinc/15/71/17/570157117.db2.gz	UOSJTKQEMDKCTN-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
Cc1ccc(Cl)cc1NC(=O)CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000409176808	570157128	/nfs/dbraw/zinc/15/71/28/570157128.db2.gz	YKIXTXDETUUKQB-UHFFFAOYSA-N	0	0	468.893	5.811	40	5		JKBBRN
Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000409177056	570157293	/nfs/dbraw/zinc/15/72/93/570157293.db2.gz	BUJVZYHGSUUTHP-SANMLTNESA-N	0	0	460.486	5.098	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1Cl	ZINC000409176940	570157297	/nfs/dbraw/zinc/15/72/97/570157297.db2.gz	BTBSUUHFKANUNQ-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)c(C)c1	ZINC000409177324	570157515	/nfs/dbraw/zinc/15/75/15/570157515.db2.gz	DNPDMGJGRKNTMM-MFKUBSTISA-N	0	0	466.562	6.285	40	5		JKBBRN
CC(=O)Oc1ccc(C(=O)COC(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)cc1	ZINC000409177491	570157523	/nfs/dbraw/zinc/15/75/23/570157523.db2.gz	GAEIEPXRXWFENM-UHFFFAOYSA-N	0	0	469.833	5.006	40	5		JKBBRN
Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)c2)cc1	ZINC000409177300	570157525	/nfs/dbraw/zinc/15/75/25/570157525.db2.gz	CVVXXODXDNGPSI-UHFFFAOYSA-N	0	0	487.533	5.931	40	5		JKBBRN
COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	ZINC000409177676	570157651	/nfs/dbraw/zinc/15/76/51/570157651.db2.gz	HUCJNDVHKCSLIW-UHFFFAOYSA-N	0	0	498.491	6.005	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1	ZINC000409178276	570157922	/nfs/dbraw/zinc/15/79/22/570157922.db2.gz	GDGYWSMFQIVWRU-UHFFFAOYSA-N	0	0	457.236	5.212	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O	ZINC000409178449	570158005	/nfs/dbraw/zinc/15/80/05/570158005.db2.gz	JRLSAEPOZSPIIR-UHFFFAOYSA-N	0	0	494.459	5.545	40	5		JKBBRN
Cc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000409178681	570158036	/nfs/dbraw/zinc/15/80/36/570158036.db2.gz	MRCHCZPMVUCABA-UHFFFAOYSA-N	0	0	485.279	5.368	40	5		JKBBRN
Cc1c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409178541	570158052	/nfs/dbraw/zinc/15/80/52/570158052.db2.gz	MKMSRUFMIZBNMJ-NRFANRHFSA-N	0	0	454.822	5.246	40	5		JKBBRN
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409179202	570158221	/nfs/dbraw/zinc/15/82/21/570158221.db2.gz	KUHLUPDSDRRMNA-UHFFFAOYSA-N	0	0	459.479	5.314	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1	ZINC000409179125	570158234	/nfs/dbraw/zinc/15/82/34/570158234.db2.gz	NHCZHYWKBUWITG-MHZLTWQESA-N	0	0	467.477	5.955	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1	ZINC000409179228	570158241	/nfs/dbraw/zinc/15/82/41/570158241.db2.gz	QMVJWKPRHODGFL-UHFFFAOYSA-N	0	0	494.459	5.545	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)-c1ccccc1C2=O	ZINC000409179786	570158604	/nfs/dbraw/zinc/15/86/04/570158604.db2.gz	SKDKVGYJTZRDIA-HHHXNRCGSA-N	0	0	463.445	5.587	40	5		JKBBRN
O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl	ZINC000409180724	570158988	/nfs/dbraw/zinc/15/89/88/570158988.db2.gz	ZIULCNRBVYGCKL-DEOSSOPVSA-N	0	0	466.877	5.134	40	5		JKBBRN
CCOc1cc(CNc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409180658	570159011	/nfs/dbraw/zinc/15/90/11/570159011.db2.gz	YXRGNEYDJZEAPL-UHFFFAOYSA-N	0	0	491.769	6.601	40	5		JKBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	ZINC000409181065	570159168	/nfs/dbraw/zinc/15/91/68/570159168.db2.gz	VJHJZVWCPUBWMY-UHFFFAOYSA-N	0	0	461.477	6.229	40	5		JKBBRN
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1	ZINC000409181613	570159422	/nfs/dbraw/zinc/15/94/22/570159422.db2.gz	DPPUZAGOGKIFNR-UHFFFAOYSA-N	0	0	475.284	5.276	40	5		JKBBRN
Cc1cccc(OCc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)c1	ZINC000409181885	570159550	/nfs/dbraw/zinc/15/95/50/570159550.db2.gz	GINLHKNTISOEQD-UHFFFAOYSA-N	0	0	469.493	6.632	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccccc2)nc2ccccc21	ZINC000409182138	570159709	/nfs/dbraw/zinc/15/97/09/570159709.db2.gz	IGKHJFGGYUOTMJ-UHFFFAOYSA-N	0	0	476.488	6.959	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1	ZINC000409182847	570159939	/nfs/dbraw/zinc/15/99/39/570159939.db2.gz	OPEODPKYMNTUDW-RUZDIDTESA-N	0	0	480.904	5.443	40	5		JKBBRN
Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000409183670	570160179	/nfs/dbraw/zinc/16/01/79/570160179.db2.gz	UBCQVBBYYALGLO-MHZLTWQESA-N	0	0	494.503	5.937	40	5		JKBBRN
Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000409183756	570160271	/nfs/dbraw/zinc/16/02/71/570160271.db2.gz	UOIJCJMQIJJDDB-MHZLTWQESA-N	0	0	483.955	6.922	40	5		JKBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	ZINC000409183933	570160290	/nfs/dbraw/zinc/16/02/90/570160290.db2.gz	VKEUPQQGUGIGQV-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000409183860	570160329	/nfs/dbraw/zinc/16/03/29/570160329.db2.gz	VUDDPYSNIIRSMK-VWLOTQADSA-N	0	0	496.903	5.143	40	5		JKBBRN
CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000409184281	570160364	/nfs/dbraw/zinc/16/03/64/570160364.db2.gz	WQVIGYAVLQIYNY-UHFFFAOYSA-N	0	0	485.901	5.364	40	5		JKBBRN
Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)OCc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000409184373	570160425	/nfs/dbraw/zinc/16/04/25/570160425.db2.gz	XSZMXTPTATUIDO-UHFFFAOYSA-N	0	0	473.510	5.636	40	5		JKBBRN
O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Cl)cc1	ZINC000409184085	570160435	/nfs/dbraw/zinc/16/04/35/570160435.db2.gz	WQFIHMNJNBZWAY-UHFFFAOYSA-N	0	0	454.866	5.503	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1ccc(Cl)cc1	ZINC000409189631	570161523	/nfs/dbraw/zinc/16/15/23/570161523.db2.gz	LXHVXMVAJMVXAC-FYJGNVAPSA-N	0	0	466.902	6.068	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	ZINC000409189950	570161555	/nfs/dbraw/zinc/16/15/55/570161555.db2.gz	OEKXMGXQEKCLNG-FYJGNVAPSA-N	0	0	466.902	6.068	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	ZINC000409190724	570161906	/nfs/dbraw/zinc/16/19/06/570161906.db2.gz	QEUAMAIGXOSYLY-FYJGNVAPSA-N	0	0	466.902	6.068	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4cccc5ccccc54)C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000409201119	570165369	/nfs/dbraw/zinc/16/53/69/570165369.db2.gz	VKULEELOGDBYGH-QFEZKATASA-N	0	0	484.533	6.861	40	5		JKBBRN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000409202577	570165953	/nfs/dbraw/zinc/16/59/53/570165953.db2.gz	UQUBIPKQGWQUSJ-UHFFFAOYSA-N	0	0	468.937	5.512	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1CCc1ccccc1	ZINC000409211322	570169917	/nfs/dbraw/zinc/16/99/17/570169917.db2.gz	NLLGLAMVBXBWPR-DEDYPNTBSA-N	0	0	454.891	5.787	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	ZINC000409217100	570173020	/nfs/dbraw/zinc/17/30/20/570173020.db2.gz	ROTSFCPXKJCAGG-QNGOZBTKSA-N	0	0	477.498	5.070	40	5		JKBBRN
O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)c1ccccc1	ZINC000409218503	570173561	/nfs/dbraw/zinc/17/35/61/570173561.db2.gz	JDBLELIRAIJXAL-RGVLZGJSSA-N	0	0	468.874	5.427	40	5		JKBBRN
O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)c1ccccc1	ZINC000409218765	570173742	/nfs/dbraw/zinc/17/37/42/570173742.db2.gz	KMKKFXRIBNVBQH-OEAKJJBVSA-N	0	0	474.494	5.093	40	5		JKBBRN
O=C1S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000409222800	570174945	/nfs/dbraw/zinc/17/49/45/570174945.db2.gz	XMNPQQVCBCMKAS-ZVHZXABRSA-N	0	0	487.512	5.973	40	5		JKBBRN
O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccccc1	ZINC000409225028	570175669	/nfs/dbraw/zinc/17/56/69/570175669.db2.gz	LQIPTPSPQNLFMJ-UCQKPKSFSA-N	0	0	474.494	5.093	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1	ZINC000409226395	570176095	/nfs/dbraw/zinc/17/60/95/570176095.db2.gz	NOFCCRYZDYBKCP-JAIQZWGSSA-N	0	0	497.916	5.492	40	5		JKBBRN
O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1	ZINC000409227893	570176500	/nfs/dbraw/zinc/17/65/00/570176500.db2.gz	SOUDQZWSNHQFKN-CAOOACKPSA-N	0	0	458.257	5.255	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1	ZINC000409233539	570178828	/nfs/dbraw/zinc/17/88/28/570178828.db2.gz	SUCYJMXWYHHGMK-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409237994	570180590	/nfs/dbraw/zinc/18/05/90/570180590.db2.gz	KRCYCQSGNISSSD-FYJGNVAPSA-N	0	0	493.903	5.323	40	5		JKBBRN
O=[N+]([O-])c1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)ccc1F	ZINC000329008476	570181348	/nfs/dbraw/zinc/18/13/48/570181348.db2.gz	LQVFNKHRCPYFBF-UHFFFAOYSA-N	0	0	477.418	5.031	40	5		JKBBRN
O=C1N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1Cc1ccccc1	ZINC000409240830	570181853	/nfs/dbraw/zinc/18/18/53/570181853.db2.gz	IIRWTPONLNHBEV-PCLIKHOPSA-N	0	0	479.492	5.420	40	5		JKBBRN
O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1	ZINC000329020303	570181912	/nfs/dbraw/zinc/18/19/12/570181912.db2.gz	OAHUAPPNAYSCMU-UHFFFAOYSA-N	0	0	477.418	5.031	40	5		JKBBRN
CC[C@@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329062916	570183403	/nfs/dbraw/zinc/18/34/03/570183403.db2.gz	XAPPSJZLFSKTPH-CYBMUJFWSA-N	0	0	461.444	5.057	40	5		JKBBRN
Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cccc1[N+](=O)[O-]	ZINC000329070160	570183827	/nfs/dbraw/zinc/18/38/27/570183827.db2.gz	ZDYZVPLXDNVEOY-UHFFFAOYSA-N	0	0	487.482	5.591	40	5		JKBBRN
CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409249321	570185284	/nfs/dbraw/zinc/18/52/84/570185284.db2.gz	KDSXJCHUNYDKMC-LICLKQGHSA-N	0	0	467.330	5.927	40	5		JKBBRN
CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409257327	570187070	/nfs/dbraw/zinc/18/70/70/570187070.db2.gz	QCLDEIFATMNCHP-UHFFFAOYSA-N	0	0	471.391	6.120	40	5		JKBBRN
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409260547	570187527	/nfs/dbraw/zinc/18/75/27/570187527.db2.gz	RWFZFJCBTCFZOB-UHFFFAOYSA-N	0	0	463.515	5.439	40	5		JKBBRN
Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	ZINC000409261878	570187651	/nfs/dbraw/zinc/18/76/51/570187651.db2.gz	DWVSBAPUGMCJJZ-UHFFFAOYSA-N	0	0	487.965	5.007	40	5		JKBBRN
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000409264056	570188066	/nfs/dbraw/zinc/18/80/66/570188066.db2.gz	JLPMFTGGTOMYOR-UHFFFAOYSA-N	0	0	477.498	5.079	40	5		JKBBRN
COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409270333	570189131	/nfs/dbraw/zinc/18/91/31/570189131.db2.gz	PJYJKYOTPMXZBU-UHFFFAOYSA-N	0	0	463.515	5.439	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409271912	570189274	/nfs/dbraw/zinc/18/92/74/570189274.db2.gz	FBPMLJOLLZLGCK-KEBDBYFISA-N	0	0	499.451	5.116	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409275112	570189713	/nfs/dbraw/zinc/18/97/13/570189713.db2.gz	YMZMEDYYTMGLQZ-KEBDBYFISA-N	0	0	499.451	5.116	40	5		JKBBRN
COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21	ZINC000408542481	570191832	/nfs/dbraw/zinc/19/18/32/570191832.db2.gz	JRIWKKHNTCNFNF-KHPPLWFESA-N	0	0	495.329	6.565	40	5		JKBBRN
CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1	ZINC000408542726	570191858	/nfs/dbraw/zinc/19/18/58/570191858.db2.gz	KTAJMXNBCTVGHA-NTMALXAHSA-N	0	0	457.870	5.131	40	5		JKBBRN
Cc1noc(/C=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000408543160	570191954	/nfs/dbraw/zinc/19/19/54/570191954.db2.gz	MTKLWXBSXJQAPY-XBXARRHUSA-N	0	0	460.240	5.311	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc2-c2ccccc2O)c(C)c1	ZINC000408545096	570192636	/nfs/dbraw/zinc/19/26/36/570192636.db2.gz	OVDRBVGHPURKGX-UHFFFAOYSA-N	0	0	493.520	5.035	40	5		JKBBRN
COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1OC	ZINC000408545789	570193069	/nfs/dbraw/zinc/19/30/69/570193069.db2.gz	AELGRVOMGJUWCQ-UHFFFAOYSA-N	0	0	482.396	5.147	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(Cl)c2)cc1	ZINC000408549104	570194488	/nfs/dbraw/zinc/19/44/88/570194488.db2.gz	XAOOYHUWNJTLRI-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1	ZINC000408552994	570195664	/nfs/dbraw/zinc/19/56/64/570195664.db2.gz	MKKJTFJHRPZWFG-UHFFFAOYSA-N	0	0	471.307	5.506	40	5		JKBBRN
COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408553569	570195874	/nfs/dbraw/zinc/19/58/74/570195874.db2.gz	ATHHNIQSUSCXLF-QHCPKHFHSA-N	0	0	470.934	5.614	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	ZINC000408553546	570195890	/nfs/dbraw/zinc/19/58/90/570195890.db2.gz	ANGLWLKLGBNXDG-UHFFFAOYSA-N	0	0	457.324	5.865	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000408554456	570196225	/nfs/dbraw/zinc/19/62/25/570196225.db2.gz	CVJHFGUZEVFGGW-UHFFFAOYSA-N	0	0	481.763	7.145	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	ZINC000408556208	570197334	/nfs/dbraw/zinc/19/73/34/570197334.db2.gz	IJUKOFNIAYRZHX-UHFFFAOYSA-N	0	0	455.898	5.195	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc21	ZINC000408556792	570197711	/nfs/dbraw/zinc/19/77/11/570197711.db2.gz	KNFUNUYKNGYLPG-UHFFFAOYSA-N	0	0	462.933	6.991	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000408557051	570197944	/nfs/dbraw/zinc/19/79/44/570197944.db2.gz	LWOFPZDYWVVCQP-UHFFFAOYSA-N	0	0	455.898	5.195	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	ZINC000408557077	570197980	/nfs/dbraw/zinc/19/79/80/570197980.db2.gz	LYNMLAWPXBJEGT-UHFFFAOYSA-N	0	0	476.316	5.540	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2)c1	ZINC000408558699	570199218	/nfs/dbraw/zinc/19/92/18/570199218.db2.gz	VGZDLTSKUUVQKT-UHFFFAOYSA-N	0	0	492.167	6.311	40	5		JKBBRN
O=C1CS[C@@H](c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1	ZINC000408558965	570199428	/nfs/dbraw/zinc/19/94/28/570199428.db2.gz	WVSFQUOGCUKINR-QFIPXVFZSA-N	0	0	475.353	6.259	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Br)cc1	ZINC000408560019	570200163	/nfs/dbraw/zinc/20/01/63/570200163.db2.gz	BOJPXWQHVMHXSE-XDOYNYLZSA-N	0	0	460.353	5.211	40	5		JKBBRN
O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br)Nc1ccc(Cl)cc1	ZINC000408560300	570200338	/nfs/dbraw/zinc/20/03/38/570200338.db2.gz	YPBAILCMHUFSQW-UHFFFAOYSA-N	0	0	490.741	5.640	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000408560424	570200472	/nfs/dbraw/zinc/20/04/72/570200472.db2.gz	ZLDRLDHBVGTRDE-UHFFFAOYSA-N	0	0	490.343	5.848	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Br)cc1	ZINC000408561187	570200913	/nfs/dbraw/zinc/20/09/13/570200913.db2.gz	HAIVSCFCYYOGGN-ATJXCDBQSA-N	0	0	494.798	5.864	40	5		JKBBRN
CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408561241	570200946	/nfs/dbraw/zinc/20/09/46/570200946.db2.gz	HHDUTXHTSPZJAZ-QOCHGBHMSA-N	0	0	480.771	5.610	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408561723	570201305	/nfs/dbraw/zinc/20/13/05/570201305.db2.gz	KMSGRBSXWXLAEN-FLFQWRMESA-N	0	0	464.374	6.145	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1	ZINC000408562393	570201757	/nfs/dbraw/zinc/20/17/57/570201757.db2.gz	PJTUYWGCYQRHLH-BZZOAKBMSA-N	0	0	457.983	6.109	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1	ZINC000408563154	570202113	/nfs/dbraw/zinc/20/21/13/570202113.db2.gz	UHPHDTVDBFNCJA-LNVKXUELSA-N	0	0	490.379	5.219	40	5		JKBBRN
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000408563777	570202359	/nfs/dbraw/zinc/20/23/59/570202359.db2.gz	PLIAVVCHRZOZFZ-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Br)cc1	ZINC000408563668	570202389	/nfs/dbraw/zinc/20/23/89/570202389.db2.gz	WICLCUTUVAMLBV-LNVKXUELSA-N	0	0	474.380	5.601	40	5		JKBBRN
O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1c1ccccc1	ZINC000409326837	570202413	/nfs/dbraw/zinc/20/24/13/570202413.db2.gz	FECGAYZBGSGYLZ-AREMUKBSSA-N	0	0	469.928	6.614	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(Cl)cc1	ZINC000408564810	570202762	/nfs/dbraw/zinc/20/27/62/570202762.db2.gz	AJUUTNLPAZGWGF-OAQYLSRUSA-N	0	0	485.765	6.571	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(Cl)cc1	ZINC000408564809	570202797	/nfs/dbraw/zinc/20/27/97/570202797.db2.gz	AJUUTNLPAZGWGF-NRFANRHFSA-N	0	0	485.765	6.571	40	5		JKBBRN
CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1	ZINC000408564857	570202922	/nfs/dbraw/zinc/20/29/22/570202922.db2.gz	AOVGLHRTOMNNDI-GOSISDBHSA-N	0	0	497.802	5.500	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(C)cc1	ZINC000408565121	570203036	/nfs/dbraw/zinc/20/30/36/570203036.db2.gz	BFUTWTPOJCOXGT-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(C)cc1	ZINC000408565319	570203159	/nfs/dbraw/zinc/20/31/59/570203159.db2.gz	BQTUASPDLXWMBE-RUZDIDTESA-N	0	0	490.585	5.582	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000408565344	570203163	/nfs/dbraw/zinc/20/31/63/570203163.db2.gz	BTBKPGNGLKYMOG-OAQYLSRUSA-N	0	0	485.367	6.861	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000408565343	570203237	/nfs/dbraw/zinc/20/32/37/570203237.db2.gz	BTBKPGNGLKYMOG-NRFANRHFSA-N	0	0	485.367	6.861	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(C)cc1	ZINC000408565321	570203245	/nfs/dbraw/zinc/20/32/45/570203245.db2.gz	BQTUASPDLXWMBE-VWLOTQADSA-N	0	0	490.585	5.582	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(F)cc1	ZINC000408565437	570203307	/nfs/dbraw/zinc/20/33/07/570203307.db2.gz	BWIBGLKMMRGBNX-QHCPKHFHSA-N	0	0	482.512	5.543	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(F)cc1	ZINC000408565433	570203381	/nfs/dbraw/zinc/20/33/81/570203381.db2.gz	BWIBGLKMMRGBNX-HSZRJFAPSA-N	0	0	482.512	5.543	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(Cl)cc1	ZINC000408565654	570203520	/nfs/dbraw/zinc/20/35/20/570203520.db2.gz	CRCNMKGRVCYASF-HSZRJFAPSA-N	0	0	480.977	5.918	40	5		JKBBRN
CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1	ZINC000408566174	570203616	/nfs/dbraw/zinc/20/36/16/570203616.db2.gz	DWLZWZUCDBHTAW-SFHVURJKSA-N	0	0	453.351	5.391	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc2ccccc21	ZINC000408566347	570203772	/nfs/dbraw/zinc/20/37/72/570203772.db2.gz	FKJWUTPLPADNRQ-VWLOTQADSA-N	0	0	452.510	6.317	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(C)c(C)c1	ZINC000408567213	570203974	/nfs/dbraw/zinc/20/39/74/570203974.db2.gz	GTWDPQMEMKTLMW-VWLOTQADSA-N	0	0	492.576	6.021	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(F)cc1	ZINC000408568109	570204116	/nfs/dbraw/zinc/20/41/16/570204116.db2.gz	HROIEIHHNYMJFV-HSZRJFAPSA-N	0	0	482.512	5.543	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	ZINC000408568149	570204130	/nfs/dbraw/zinc/20/41/30/570204130.db2.gz	HTQCAHVICFERFW-IBGZPJMESA-N	0	0	459.304	6.601	40	5		JKBBRN
CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1	ZINC000408567606	570204147	/nfs/dbraw/zinc/20/41/47/570204147.db2.gz	GYBGJKBVLCMBEU-VWLOTQADSA-N	0	0	490.585	5.664	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	ZINC000408568090	570204157	/nfs/dbraw/zinc/20/41/57/570204157.db2.gz	HPSSHQMNVZGLAT-FQEVSTJZSA-N	0	0	496.317	5.826	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000408569061	570204233	/nfs/dbraw/zinc/20/42/33/570204233.db2.gz	INLVGNWVZWQRRP-NRFANRHFSA-N	0	0	496.317	5.826	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(C)cc1	ZINC000408569087	570204271	/nfs/dbraw/zinc/20/42/71/570204271.db2.gz	ITKNQDMFDBSXKP-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1	ZINC000409331188	570204318	/nfs/dbraw/zinc/20/43/18/570204318.db2.gz	CVNGUWQZSWHNPD-IBGZPJMESA-N	0	0	470.536	5.901	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1cccc(F)c1	ZINC000408569985	570204511	/nfs/dbraw/zinc/20/45/11/570204511.db2.gz	KMQZWFWJYXXPRR-OAQYLSRUSA-N	0	0	469.310	6.057	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	ZINC000408569357	570204402	/nfs/dbraw/zinc/20/44/02/570204402.db2.gz	VVVAEURPYQOLKK-DVKBMCPXSA-N	0	0	498.366	5.094	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1	ZINC000408570604	570204542	/nfs/dbraw/zinc/20/45/42/570204542.db2.gz	LNDOFXBEJYIHOC-VWLOTQADSA-N	0	0	490.585	5.664	40	5		JKBBRN
O=Cc1ccc(Sc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000408580869	570206717	/nfs/dbraw/zinc/20/67/17/570206717.db2.gz	FBTYGDQUAJOOFU-UHFFFAOYSA-N	0	0	484.253	5.797	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(C)cc1	ZINC000408571094	570204606	/nfs/dbraw/zinc/20/46/06/570204606.db2.gz	NMCAHYOGVPJKBU-DEOSSOPVSA-N	0	0	495.004	6.227	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1cccc(C)c1	ZINC000408571050	570204615	/nfs/dbraw/zinc/20/46/15/570204615.db2.gz	NBUWJFDWRBYPNK-XMMPIXPASA-N	0	0	495.004	6.227	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1	ZINC000408571037	570204631	/nfs/dbraw/zinc/20/46/31/570204631.db2.gz	MZGAXQUSWZUOML-JOCHJYFZSA-N	0	0	450.922	6.208	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1cccc(C)c1	ZINC000408571049	570204635	/nfs/dbraw/zinc/20/46/35/570204635.db2.gz	NBUWJFDWRBYPNK-DEOSSOPVSA-N	0	0	495.004	6.227	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	ZINC000408571118	570204695	/nfs/dbraw/zinc/20/46/95/570204695.db2.gz	NRISGWKQSXFGSH-GOSISDBHSA-N	0	0	475.759	7.116	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccccc1	ZINC000408571643	570204822	/nfs/dbraw/zinc/20/48/22/570204822.db2.gz	PJLXLFGXLSOACQ-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccccc1	ZINC000408572022	570204850	/nfs/dbraw/zinc/20/48/50/570204850.db2.gz	QKIZRXCFBQTKME-MHZLTWQESA-N	0	0	496.592	6.418	40	5		JKBBRN
COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC	ZINC000408572134	570204891	/nfs/dbraw/zinc/20/48/91/570204891.db2.gz	QRLRIQWHWIXBMG-GOSISDBHSA-N	0	0	469.350	5.010	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000408572331	570204931	/nfs/dbraw/zinc/20/49/31/570204931.db2.gz	QXLGNGBIENKJQE-LJQANCHMSA-N	0	0	471.340	6.471	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	ZINC000408572406	570204957	/nfs/dbraw/zinc/20/49/57/570204957.db2.gz	RBUWDHRBDPTXAQ-SFHVURJKSA-N	0	0	459.304	6.601	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1	ZINC000408572665	570204994	/nfs/dbraw/zinc/20/49/94/570204994.db2.gz	RRCRVTNACLVSJQ-DEOSSOPVSA-N	0	0	494.548	5.413	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1cccc(C)c1	ZINC000408573113	570205122	/nfs/dbraw/zinc/20/51/22/570205122.db2.gz	SNCOUOVKKJHQRI-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408573341	570205168	/nfs/dbraw/zinc/20/51/68/570205168.db2.gz	BRKRQNJHEDNATJ-UHFFFAOYSA-N	0	0	499.854	5.320	40	5		JKBBRN
O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408573272	570205177	/nfs/dbraw/zinc/20/51/77/570205177.db2.gz	AGSSBSRCSKDYRF-UHFFFAOYSA-N	0	0	481.917	5.455	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)NCc1cccnc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408573392	570205194	/nfs/dbraw/zinc/20/51/94/570205194.db2.gz	DRDAAEJFFKLNRL-KOEQRZSOSA-N	0	0	478.508	5.099	40	5		JKBBRN
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000408573368	570205197	/nfs/dbraw/zinc/20/51/97/570205197.db2.gz	CWVAHOBNNMGNQL-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl	ZINC000408573678	570205260	/nfs/dbraw/zinc/20/52/60/570205260.db2.gz	UAXQGXIQIDQPJF-SFHVURJKSA-N	0	0	467.378	5.700	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1F	ZINC000408574456	570205417	/nfs/dbraw/zinc/20/54/17/570205417.db2.gz	UVPRAESGHMACRP-DEOSSOPVSA-N	0	0	494.548	5.413	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1Cl	ZINC000408574495	570205425	/nfs/dbraw/zinc/20/54/25/570205425.db2.gz	UYWNDFRIMZTASY-FQEVSTJZSA-N	0	0	471.340	6.471	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccc(Br)cc1	ZINC000408575071	570205585	/nfs/dbraw/zinc/20/55/85/570205585.db2.gz	VXTCGYVNOIZLRQ-OAQYLSRUSA-N	0	0	451.320	5.918	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc(F)c2)c(Br)c1	ZINC000408575061	570205601	/nfs/dbraw/zinc/20/56/01/570205601.db2.gz	VVXMUOQNVREOSZ-HXUWFJFHSA-N	0	0	469.310	6.057	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(C)cc1	ZINC000408575895	570205773	/nfs/dbraw/zinc/20/57/73/570205773.db2.gz	WZQOADKRMZGLCI-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1	ZINC000408580626	570206666	/nfs/dbraw/zinc/20/66/66/570206666.db2.gz	DHAIGZQXGJVHFX-UHFFFAOYSA-N	0	0	478.452	5.118	40	5		JKBBRN
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1	ZINC000408581581	570206786	/nfs/dbraw/zinc/20/67/86/570206786.db2.gz	JCRHFPTYLRYCFH-UHFFFAOYSA-N	0	0	478.452	5.118	40	5		JKBBRN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1	ZINC000408583204	570207188	/nfs/dbraw/zinc/20/71/88/570207188.db2.gz	SIZHHGKSAQGNPU-UHFFFAOYSA-N	0	0	453.829	6.078	40	5		JKBBRN
CC(=O)c1ccc(NC(=O)CSc2ncnc3c4cc5c(C)cc(C)cc5nc4sc32)cc1	ZINC000001327818	194088220	/nfs/dbraw/zinc/08/82/20/194088220.db2.gz	PRVVXQCHRNYMEJ-UHFFFAOYSA-N	0	0	472.595	5.943	40	5		JKBBRN
COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000001714428	194131899	/nfs/dbraw/zinc/13/18/99/194131899.db2.gz	GKVKPJCQVGGHRF-FCXRPNKRSA-N	0	0	464.430	5.272	40	5		JKBBRN
CCOc1ccc(Br)cc1/C=C/C(=O)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000001810866	194144667	/nfs/dbraw/zinc/14/46/67/194144667.db2.gz	JNRAJHHXJBRBGZ-SDNWHVSQSA-N	0	0	481.346	6.003	40	5		JKBBRN
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000003844728	194364016	/nfs/dbraw/zinc/36/40/16/194364016.db2.gz	VYEOHMXBLIEAPS-HOTGVXAUSA-N	0	0	464.430	5.339	40	5		JKBBRN
COc1cccc(/C=C/c2cc(/C=C/c3cccc(OC)c3O)c([N+](=O)[O-])cc2[N+](=O)[O-])c1O	ZINC000003845214	194364071	/nfs/dbraw/zinc/36/40/71/194364071.db2.gz	YZYNABGODDZXGG-WGDLNXRISA-N	0	0	464.430	5.272	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc3c2OCO3)cc1/C=C/c1cccc2c1OCO2	ZINC000003845213	194364110	/nfs/dbraw/zinc/36/41/10/194364110.db2.gz	JWWKSWHNXWATAH-FIFLTTCUSA-N	0	0	460.398	5.301	40	5		JKBBRN
O=[N+]([O-])c1ccc(S(=O)(=O)n2c(CSc3ccccn3)nc3cc(Cl)c(Cl)cc32)cc1	ZINC000003850489	194364651	/nfs/dbraw/zinc/36/46/51/194364651.db2.gz	CIUVOPDPJYQTBI-UHFFFAOYSA-N	0	0	495.369	5.176	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Br)=C\c2ccccc2)cc1/C=C\c1ccccc1	ZINC000004701557	194393859	/nfs/dbraw/zinc/39/38/59/194393859.db2.gz	LYIOJFAVXFWPTG-NALWFHSCSA-N	0	0	451.276	6.566	40	5		JKBBRN
CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000020610588	195183559	/nfs/dbraw/zinc/18/35/59/195183559.db2.gz	YRAKCKMSFHSATK-UHFFFAOYSA-N	0	0	484.560	5.695	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1	ZINC000020610636	195183773	/nfs/dbraw/zinc/18/37/73/195183773.db2.gz	IDYHXWBCPNZHBS-UHFFFAOYSA-N	0	0	497.511	5.973	40	5		JKBBRN
COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1Cl	ZINC000020610839	195184243	/nfs/dbraw/zinc/18/42/43/195184243.db2.gz	YHXIWJUWHLQJIQ-UHFFFAOYSA-N	0	0	489.875	5.503	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c(Br)c3)o2)c([N+](=O)[O-])c1	ZINC000020611615	195185719	/nfs/dbraw/zinc/18/57/19/195185719.db2.gz	RCEXNXJEERJALU-UHFFFAOYSA-N	0	0	486.322	5.015	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000020611846	195185988	/nfs/dbraw/zinc/18/59/88/195185988.db2.gz	IFNVOZKYDRJEFC-UHFFFAOYSA-N	0	0	462.289	5.251	40	5		JKBBRN
CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1	ZINC000020671730	195198796	/nfs/dbraw/zinc/19/87/96/195198796.db2.gz	PTUJDQNVHLGOCR-LJQANCHMSA-N	0	0	473.558	5.361	40	5		JKBBRN
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1	ZINC000020797518	195226164	/nfs/dbraw/zinc/22/61/64/195226164.db2.gz	HWBHHFRIBARWEK-QFIPXVFZSA-N	0	0	494.338	6.179	40	5		JKBBRN
COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000020970294	195257586	/nfs/dbraw/zinc/25/75/86/195257586.db2.gz	VURLFYKUIRGGSB-HSZRJFAPSA-N	0	0	489.919	5.534	40	5		JKBBRN
CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000020970172	195257696	/nfs/dbraw/zinc/25/76/96/195257696.db2.gz	LLSKGFAELHALDN-XMMPIXPASA-N	0	0	487.947	6.088	40	5		JKBBRN
CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020970183	195257828	/nfs/dbraw/zinc/25/78/28/195257828.db2.gz	KMWDXCOAKYKNGV-DEOSSOPVSA-N	0	0	453.502	5.435	40	5		JKBBRN
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N+](=O)[O-]	ZINC000021124370	195280192	/nfs/dbraw/zinc/28/01/92/195280192.db2.gz	UFRXMFQCIADRFH-UHFFFAOYSA-N	0	0	452.206	5.331	40	5		JKBBRN
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	ZINC000021124777	195280778	/nfs/dbraw/zinc/28/07/78/195280778.db2.gz	ZAHSYSUKFVSVOP-UHFFFAOYSA-N	0	0	452.206	5.331	40	5		JKBBRN
Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000021578732	195316485	/nfs/dbraw/zinc/31/64/85/195316485.db2.gz	ILTBQYDXEBTQIZ-ACCUITESSA-N	0	0	493.519	7.240	40	5		JKBBRN
COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)ccc3o2)c1	ZINC000021579367	195316878	/nfs/dbraw/zinc/31/68/78/195316878.db2.gz	BYLJQIDXBUXZAE-UHFFFAOYSA-N	0	0	469.453	6.232	40	5		JKBBRN
CC(C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1	ZINC000021596005	195318317	/nfs/dbraw/zinc/31/83/17/195318317.db2.gz	AHEPGKRAUWTQAA-DTQAZKPQSA-N	0	0	493.519	7.438	40	5		JKBBRN
Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1	ZINC000059179540	195393575	/nfs/dbraw/zinc/39/35/75/195393575.db2.gz	ZDKSEQIDPPFFJH-UHFFFAOYSA-N	0	0	476.942	5.373	40	5		JKBBRN
O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000059294262	195396930	/nfs/dbraw/zinc/39/69/30/195396930.db2.gz	UZUCWZSCHGXERT-UHFFFAOYSA-N	0	0	483.336	6.912	40	5		JKBBRN
Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2)c1	ZINC000059294543	195397089	/nfs/dbraw/zinc/39/70/89/195397089.db2.gz	UBAABNKJFBMHEH-UHFFFAOYSA-N	0	0	472.545	5.644	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000059463586	195403331	/nfs/dbraw/zinc/40/33/31/195403331.db2.gz	NMYHVTFXNHCUMC-UHFFFAOYSA-N	0	0	457.555	6.935	40	5		JKBBRN
CCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000059463590	195403332	/nfs/dbraw/zinc/40/33/32/195403332.db2.gz	MLUNOSMRVONHTR-UHFFFAOYSA-N	0	0	473.554	6.817	40	5		JKBBRN
COc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000059474823	195403948	/nfs/dbraw/zinc/40/39/48/195403948.db2.gz	ANBIZCXNPBLKRE-UHFFFAOYSA-N	0	0	494.554	5.196	40	5		JKBBRN
O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)Nc1ccccc1[N+](=O)[O-]	ZINC000059474801	195404044	/nfs/dbraw/zinc/40/40/44/195404044.db2.gz	OLGWTQHHZUZLQE-UHFFFAOYSA-N	0	0	482.518	5.327	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000059477632	195405076	/nfs/dbraw/zinc/40/50/76/195405076.db2.gz	OFDPWGHFRPPAHE-DHZHZOJOSA-N	0	0	471.435	5.236	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000106687343	195457517	/nfs/dbraw/zinc/45/75/17/195457517.db2.gz	DNORSFLBZWMIMF-GRSHGNNSSA-N	0	0	475.309	6.398	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000106716960	195459873	/nfs/dbraw/zinc/45/98/73/195459873.db2.gz	YCYQIDRZIZRHLF-WCSRMQSCSA-N	0	0	478.140	6.445	40	5		JKBBRN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccccc1F	ZINC000095676426	129918658	/nfs/dbraw/zinc/91/86/58/129918658.db2.gz	FRDAHGRSPGGDGW-UHFFFAOYSA-N	0	0	452.310	5.028	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(Br)c1	ZINC000096306237	130056348	/nfs/dbraw/zinc/05/63/48/130056348.db2.gz	ZOPKPSISHGQDAM-UHFFFAOYSA-N	0	0	468.057	5.955	40	5		JKBBRN
CC1(C)CC(OC(=O)Oc2c3ccccc3c3ccc4cccc5ccc2c3c45)CC(C)(C)N1O	ZINC000005639603	520288589	/nfs/dbraw/zinc/28/85/89/520288589.db2.gz	XWBOFHMWRHMYKG-UHFFFAOYSA-N	0	0	467.565	7.663	40	5		JKBBRN
CCN(CC)c1ccc2sc3c(C(=O)Nc4ccccc4)c(=O)c4ccccc4c-3nc2c1	ZINC000016678670	520925869	/nfs/dbraw/zinc/92/58/69/520925869.db2.gz	BRNNJFCDBQTSNE-UHFFFAOYSA-N	0	0	453.567	6.013	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022572912	521264691	/nfs/dbraw/zinc/26/46/91/521264691.db2.gz	JYAJNZJELKFNAI-UHFFFAOYSA-N	0	0	463.925	5.885	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1	ZINC000022572922	521267656	/nfs/dbraw/zinc/26/76/56/521267656.db2.gz	NNUWVGUZWKBAJS-UHFFFAOYSA-N	0	0	463.925	5.885	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1	ZINC000022716616	521267772	/nfs/dbraw/zinc/26/77/72/521267772.db2.gz	MMHLQENOTNDIRS-UHFFFAOYSA-N	0	0	479.924	5.342	40	5		JKBBRN
CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Cl	ZINC000020494238	521489636	/nfs/dbraw/zinc/48/96/36/521489636.db2.gz	QBYSZVMEMNQTJI-KGENOOAVSA-N	0	0	450.878	5.604	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1	ZINC000022718362	522430809	/nfs/dbraw/zinc/43/08/09/522430809.db2.gz	VOUMWWWBTIGBRH-QGZVFWFLSA-N	0	0	481.508	7.429	40	5		JKBBRN
C[C@H]1[C@@H]2NC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12	ZINC000002686059	525094761	/nfs/dbraw/zinc/09/47/61/525094761.db2.gz	ZPBHDPZFICVTNZ-QIGVCLAPSA-N	0	0	457.861	5.448	40	5		JKBBRN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(Cl)c2)cc1	ZINC000020454126	525601262	/nfs/dbraw/zinc/60/12/62/525601262.db2.gz	BALQYXCWJGKRST-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000044847294	526088109	/nfs/dbraw/zinc/08/81/09/526088109.db2.gz	LEHGPXLCKWLAQZ-UHFFFAOYSA-N	0	0	467.547	5.254	40	5		JKBBRN
c1ccc2sc(-c3cc4c(ccc5ccccc54)o/c3=N\c3cccc4ccccc43)nc2c1	ZINC000016526187	526519837	/nfs/dbraw/zinc/51/98/37/526519837.db2.gz	PHVLGLMGNUEIQK-YCNYHXFESA-N	0	0	454.554	8.248	40	5		JKBBRN
O=C(CSc1nc(-c2ccccc2)nc2c3ccccc3ccc12)Nc1ccccc1-c1ccccc1	ZINC000012484975	527051307	/nfs/dbraw/zinc/05/13/07/527051307.db2.gz	RGKBWYMGGKPTSO-UHFFFAOYSA-N	0	0	497.623	7.848	40	5		JKBBRN
O=C1S/C(=C/c2ccn(-c3cccc([N+](=O)[O-])c3)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000022710113	527103186	/nfs/dbraw/zinc/10/31/86/527103186.db2.gz	MXFIHEXEWXUEST-DJKKODMXSA-N	0	0	474.325	5.929	40	5		JKBBRN
Cc1nc2ccccc2c2c(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)c3ccccc3n21	ZINC000014912664	527159833	/nfs/dbraw/zinc/15/98/33/527159833.db2.gz	CPQKOTSFNJJWDJ-UHFFFAOYSA-N	0	0	492.988	5.105	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000020457962	527261279	/nfs/dbraw/zinc/26/12/79/527261279.db2.gz	SEMQYBIXLXGCNP-UHFFFAOYSA-N	0	0	496.479	5.598	40	5		JKBBRN
O=C(Nc1ccc2ccc3cccc4ccc1c2c34)c1cc(-c2ccc(Cl)cc2)nc2ccccc21	ZINC000012483418	527296157	/nfs/dbraw/zinc/29/61/57/527296157.db2.gz	ZUVYGTOHUUGDCU-UHFFFAOYSA-N	0	0	482.970	8.705	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccc3c(c2)OCO3)cc1/C=C/c1ccc2c(c1)OCO2	ZINC000008654947	527339350	/nfs/dbraw/zinc/33/93/50/527339350.db2.gz	NGMRWNUPBHUVGP-SOSXVSKCSA-N	0	0	460.398	5.301	40	5		JKBBRN
O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Cl)cc2Cl)c1	ZINC000024522839	527384364	/nfs/dbraw/zinc/38/43/64/527384364.db2.gz	AEWRZCSTMJZZQE-DHZHZOJOSA-N	0	0	452.297	6.594	40	5		JKBBRN
O=c1c(Cl)c2cc3c(cc2c2ccccc12)nc1ccccc1n3Cc1ccc([N+](=O)[O-])cc1	ZINC000004774359	527452362	/nfs/dbraw/zinc/45/23/62/527452362.db2.gz	HWCVCOFEZOZKHW-UHFFFAOYSA-N	0	0	465.896	6.466	40	5		JKBBRN
Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	ZINC000000868990	553807720	/nfs/dbraw/zinc/80/77/20/553807720.db2.gz	PLYSXWBRSSIAJU-UHFFFAOYSA-N	0	0	479.949	5.535	40	5		JKBBRN
Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000000888273	553826537	/nfs/dbraw/zinc/82/65/37/553826537.db2.gz	DGDOORWOPZJDEY-UHFFFAOYSA-N	0	0	493.976	5.459	40	5		JKBBRN
CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000000917479	553848802	/nfs/dbraw/zinc/84/88/02/553848802.db2.gz	SDRYRTAZGBDWLL-UHFFFAOYSA-N	0	0	489.582	5.795	40	5		JKBBRN
O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000001085269	553905836	/nfs/dbraw/zinc/90/58/36/553905836.db2.gz	SQAQQHRMMRXIDB-UHFFFAOYSA-N	0	0	496.306	6.666	40	5		JKBBRN
Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1C	ZINC000001313882	553941452	/nfs/dbraw/zinc/94/14/52/553941452.db2.gz	GQJVFUALUUSTNL-UHFFFAOYSA-N	0	0	454.482	5.775	40	5		JKBBRN
Cc1sc2nc(C3CCCCC3)nc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c2c1C	ZINC000001357325	553957995	/nfs/dbraw/zinc/95/79/95/553957995.db2.gz	UMHCSAIMZZQMEJ-UHFFFAOYSA-N	0	0	479.606	5.226	40	5		JKBBRN
Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCc2ccccc2)cc1	ZINC000001464388	553976231	/nfs/dbraw/zinc/97/62/31/553976231.db2.gz	JWRLBTKEJLWVGY-KOEQRZSOSA-N	0	0	481.508	5.251	40	5		JKBBRN
CCOC(=O)COc1ccc(C2=C(c3ccccc3)C(C)(C)Oc3cc(OC)ccc32)cc1[N+](=O)[O-]	ZINC000001607647	553980437	/nfs/dbraw/zinc/98/04/37/553980437.db2.gz	LTQCAOJNJYGMCR-UHFFFAOYSA-N	0	0	489.524	5.675	40	5		JKBBRN
O=[N+]([O-])c1ccc(CSc2ncc(Br)c(SCc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000001674953	553982250	/nfs/dbraw/zinc/98/22/50/553982250.db2.gz	DGIVOOHDWJIQKY-UHFFFAOYSA-N	0	0	493.364	5.640	40	5		JKBBRN
COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(O)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1O	ZINC000001714424	553984261	/nfs/dbraw/zinc/98/42/61/553984261.db2.gz	DDOVAKHEWGAJHA-FCXRPNKRSA-N	0	0	464.430	5.272	40	5		JKBBRN
O=C(C[C@H](c1ccccc1)C([C@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-])c1ccccc1	ZINC000001723272	553984558	/nfs/dbraw/zinc/98/45/58/553984558.db2.gz	SBZQETAJBOAVFV-VSGBNLITSA-N	0	0	477.560	6.745	40	5		JKBBRN
O=C(COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000001839827	553994507	/nfs/dbraw/zinc/99/45/07/553994507.db2.gz	QPQWVXVDJCWIKA-UHFFFAOYSA-N	0	0	494.547	6.897	40	5		JKBBRN
O=[N+]([O-])c1ccc(Oc2ccc3c(c2)-c2cc(Oc4ccc([N+](=O)[O-])cc4)ccc2S3(=O)=O)cc1	ZINC000002066102	554019733	/nfs/dbraw/zinc/01/97/33/554019733.db2.gz	GBKUPEFFFMUOTQ-UHFFFAOYSA-N	0	0	490.449	5.901	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1	ZINC000002751323	554326659	/nfs/dbraw/zinc/32/66/59/554326659.db2.gz	LSADHBWFPWIRTN-UHFFFAOYSA-N	0	0	462.461	6.216	40	5		JKBBRN
CCOC(=O)c1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1	ZINC000002751352	554326687	/nfs/dbraw/zinc/32/66/87/554326687.db2.gz	DGGJHRRQIDNHAS-UHFFFAOYSA-N	0	0	477.472	6.434	40	5		JKBBRN
O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002774633	554338524	/nfs/dbraw/zinc/33/85/24/554338524.db2.gz	YZPRQCMEEYNHAZ-UHFFFAOYSA-N	0	0	472.862	5.347	40	5		JKBBRN
O=C1OC(c2ccccc2Cl)=N/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000003011744	554423316	/nfs/dbraw/zinc/42/33/16/554423316.db2.gz	WWMHCDNJVVZNJX-WOJGMQOQSA-N	0	0	465.805	5.293	40	5		JKBBRN
O=[N+]([O-])c1cccc(S(=O)(=O)[C@H](Cc2ccccc2)Sc2ccc(Br)cc2)c1	ZINC000003022543	554423688	/nfs/dbraw/zinc/42/36/88/554423688.db2.gz	KXKPVMRKBWNLDK-HXUWFJFHSA-N	0	0	478.389	5.492	40	5		JKBBRN
O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1cc(F)c(F)cc1Cl	ZINC000003100990	554426146	/nfs/dbraw/zinc/42/61/46/554426146.db2.gz	FFHAQAILEFBOAA-UHFFFAOYSA-N	0	0	467.837	5.003	40	5		JKBBRN
O=C(NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]	ZINC000003121502	554426469	/nfs/dbraw/zinc/42/64/69/554426469.db2.gz	UDIDRYSXUGFECD-UHFFFAOYSA-N	0	0	467.201	5.898	40	5		JKBBRN
COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1	ZINC000003154869	554427615	/nfs/dbraw/zinc/42/76/15/554427615.db2.gz	VAOOJNGRVYHFET-UHFFFAOYSA-N	0	0	460.273	5.415	40	5		JKBBRN
O=C1c2ccccc2C(=O)N1c1ccc(Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1	ZINC000003146077	554427636	/nfs/dbraw/zinc/42/76/36/554427636.db2.gz	VKNPJDSTRRMXDS-UHFFFAOYSA-N	0	0	452.422	5.980	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1cc2ccccc2cc1C(=O)Nc1ccccc1	ZINC000005329441	554488284	/nfs/dbraw/zinc/48/82/84/554488284.db2.gz	IQORRMLLLJORMM-UHFFFAOYSA-N	0	0	461.861	6.265	40	5		JKBBRN
CCCCOC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccccc3OC)n2)cc1	ZINC000006077972	554502801	/nfs/dbraw/zinc/50/28/01/554502801.db2.gz	ZSJHTGBXGIEUDC-UHFFFAOYSA-N	0	0	451.483	5.146	40	5		JKBBRN
COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)c([N+](=O)[O-])c1	ZINC000006136534	554508154	/nfs/dbraw/zinc/50/81/54/554508154.db2.gz	YQKYTMVIBYVVIT-UHFFFAOYSA-N	0	0	496.548	6.382	40	5		JKBBRN
COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c32)cc1	ZINC000006157191	554513315	/nfs/dbraw/zinc/51/33/15/554513315.db2.gz	FEMKHOMEIHTYJH-UHFFFAOYSA-N	0	0	496.548	6.382	40	5		JKBBRN
CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000006196153	554518610	/nfs/dbraw/zinc/51/86/10/554518610.db2.gz	FKOKQATZFRSNFY-UHFFFAOYSA-N	0	0	477.542	5.416	40	5		JKBBRN
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)cc1	ZINC000006245564	554522046	/nfs/dbraw/zinc/52/20/46/554522046.db2.gz	RISORDFZHWYFAY-UHFFFAOYSA-N	0	0	489.557	5.102	40	5		JKBBRN
Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	ZINC000006280106	554524264	/nfs/dbraw/zinc/52/42/64/554524264.db2.gz	NXFQLORWMWSOPS-UHFFFAOYSA-N	0	0	473.558	5.114	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000006297002	554528416	/nfs/dbraw/zinc/52/84/16/554528416.db2.gz	MHOBVTIGUWYQDY-UHFFFAOYSA-N	0	0	458.474	5.264	40	5		JKBBRN
Cc1cccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)c1	ZINC000006442588	554536749	/nfs/dbraw/zinc/53/67/49/554536749.db2.gz	YEMXEZDXTLEEOK-UHFFFAOYSA-N	0	0	488.573	5.135	40	5		JKBBRN
Cc1cccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2-c2cccc(Cl)c2)c1	ZINC000006442734	554536970	/nfs/dbraw/zinc/53/69/70/554536970.db2.gz	MQPXTODGZQFEPW-UHFFFAOYSA-N	0	0	479.949	5.535	40	5		JKBBRN
O=C(CSc1ncc(-c2ccccc2)n1C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1	ZINC000006446854	554541020	/nfs/dbraw/zinc/54/10/20/554541020.db2.gz	WJILMMKVZSGLLM-UHFFFAOYSA-N	0	0	492.944	5.531	40	5		JKBBRN
CCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]1C	ZINC000006471881	554543372	/nfs/dbraw/zinc/54/33/72/554543372.db2.gz	XPDXDRYYPOAONP-RBISFHTESA-N	0	0	499.611	7.079	40	5		JKBBRN
CCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]1C	ZINC000006471888	554543409	/nfs/dbraw/zinc/54/34/09/554543409.db2.gz	XPDXDRYYPOAONP-DFHRPNOPSA-N	0	0	499.611	7.079	40	5		JKBBRN
O=[N+]([O-])c1c(/C=C/c2ccc(Br)cc2)nc(Nc2ccccc2)nc1Nc1ccccc1	ZINC000006473750	554543674	/nfs/dbraw/zinc/54/36/74/554543674.db2.gz	MLTORSHZRPMGQF-DTQAZKPQSA-N	0	0	488.345	6.805	40	5		JKBBRN
O=C(CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccc(Cl)cc1	ZINC000006474676	554544371	/nfs/dbraw/zinc/54/43/71/554544371.db2.gz	TWADHPDNBCZLFX-UHFFFAOYSA-N	0	0	495.948	5.139	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1	ZINC000006474743	554544594	/nfs/dbraw/zinc/54/45/94/554544594.db2.gz	PBHKAEYJXCYKOL-UHFFFAOYSA-N	0	0	499.474	5.592	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1	ZINC000006474875	554544753	/nfs/dbraw/zinc/54/47/53/554544753.db2.gz	OGKHBCOBDUTJPS-UHFFFAOYSA-N	0	0	457.342	6.442	40	5		JKBBRN
CCc1cccc2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc(-c3ccccc3)nc12	ZINC000006860510	554559079	/nfs/dbraw/zinc/55/90/79/554559079.db2.gz	YFAGIHYWURSRCX-UHFFFAOYSA-N	0	0	478.961	6.152	40	5		JKBBRN
CCc1cccc2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc(-c3ccccc3)nc12	ZINC000006860500	554559084	/nfs/dbraw/zinc/55/90/84/554559084.db2.gz	JIDXUIOVOOMGDI-UHFFFAOYSA-N	0	0	458.543	5.807	40	5		JKBBRN
O=C1S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1c1ccccc1	ZINC000008398640	554573601	/nfs/dbraw/zinc/57/36/01/554573601.db2.gz	ZQNMEXHMXDVBOH-NDENLUEZSA-N	0	0	463.427	5.536	40	5		JKBBRN
CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008765794	554666524	/nfs/dbraw/zinc/66/65/24/554666524.db2.gz	PNLDJZQFTQEJGR-UHFFFAOYSA-N	0	0	478.910	5.027	40	5		JKBBRN
O=C(C[C@H](Sc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000008767704	554668146	/nfs/dbraw/zinc/66/81/46/554668146.db2.gz	OPUGXGCLCMVBJX-QHCPKHFHSA-N	0	0	493.382	7.012	40	5		JKBBRN
Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cccc1[N+](=O)[O-]	ZINC000008810602	554691056	/nfs/dbraw/zinc/69/10/56/554691056.db2.gz	YGSLQZXFBJJWPK-UHFFFAOYSA-N	0	0	498.319	5.402	40	5		JKBBRN
CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2cnc(-c3cccc(Br)c3)cc12	ZINC000008815587	554697021	/nfs/dbraw/zinc/69/70/21/554697021.db2.gz	GBIBDWARAWUZON-UHFFFAOYSA-N	0	0	494.301	5.080	40	5		JKBBRN
CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000008831472	554722309	/nfs/dbraw/zinc/72/23/09/554722309.db2.gz	DJQSBKZETFFCRK-UHFFFAOYSA-N	0	0	466.519	5.110	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000008831810	554724090	/nfs/dbraw/zinc/72/40/90/554724090.db2.gz	VOEYBCMZPBJIIX-UHFFFAOYSA-N	0	0	471.494	6.392	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1[N+](=O)[O-]	ZINC000008831896	554724268	/nfs/dbraw/zinc/72/42/68/554724268.db2.gz	CHZIKMLIWBUBKE-UHFFFAOYSA-N	0	0	472.284	6.361	40	5		JKBBRN
Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c1	ZINC000008832089	554725034	/nfs/dbraw/zinc/72/50/34/554725034.db2.gz	FFIPPYFWCJOGBX-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1	ZINC000008832458	554726789	/nfs/dbraw/zinc/72/67/89/554726789.db2.gz	CGHUDNUOGKCDQB-AWEZNQCLSA-N	0	0	467.547	5.419	40	5		JKBBRN
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1	ZINC000008832453	554726792	/nfs/dbraw/zinc/72/67/92/554726792.db2.gz	YQYVVPNYKZRNQE-OMDQHUAHSA-N	0	0	461.971	5.212	40	5		JKBBRN
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1	ZINC000008832454	554726800	/nfs/dbraw/zinc/72/68/00/554726800.db2.gz	YQYVVPNYKZRNQE-NEXMIYJRSA-N	0	0	461.971	5.212	40	5		JKBBRN
CC1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000008832670	554727685	/nfs/dbraw/zinc/72/76/85/554727685.db2.gz	PTLDJPWKIJHYJH-UHFFFAOYSA-N	0	0	456.974	5.727	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1[N+](=O)[O-]	ZINC000008832797	554728402	/nfs/dbraw/zinc/72/84/02/554728402.db2.gz	DWGQOBKYZDESQZ-UHFFFAOYSA-N	0	0	474.498	5.029	40	5		JKBBRN
O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000008833005	554729413	/nfs/dbraw/zinc/72/94/13/554729413.db2.gz	COCHYGUXVWADPI-UHFFFAOYSA-N	0	0	487.796	5.672	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)c1C	ZINC000008833070	554729601	/nfs/dbraw/zinc/72/96/01/554729601.db2.gz	NPGFUOZMCOBKDO-DHZHZOJOSA-N	0	0	490.368	6.305	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1	ZINC000008833092	554729625	/nfs/dbraw/zinc/72/96/25/554729625.db2.gz	ZWJDINVECNSPLP-WEVVVXLNSA-N	0	0	492.340	5.697	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008833172	554730065	/nfs/dbraw/zinc/73/00/65/554730065.db2.gz	FUJVLBQYALWNOC-UHFFFAOYSA-N	0	0	496.976	5.768	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-]	ZINC000008835160	554733498	/nfs/dbraw/zinc/73/34/98/554733498.db2.gz	IOYYUQHOGZSTEV-UHFFFAOYSA-N	0	0	478.555	5.321	40	5		JKBBRN
Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)oc2c(C)c1	ZINC000008835196	554733735	/nfs/dbraw/zinc/73/37/35/554733735.db2.gz	KKQCFFLHUBKRCY-UHFFFAOYSA-N	0	0	476.514	5.161	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3Br)o2)cc1Cl	ZINC000008835228	554733774	/nfs/dbraw/zinc/73/37/74/554733774.db2.gz	UCKQMXLJZYFHKZ-UHFFFAOYSA-N	0	0	494.754	5.706	40	5		JKBBRN
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(OCc2ccccc2)c1	ZINC000008835231	554733801	/nfs/dbraw/zinc/73/38/01/554733801.db2.gz	OEYUPICICFKEKZ-UHFFFAOYSA-N	0	0	486.347	5.063	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000008835227	554733811	/nfs/dbraw/zinc/73/38/11/554733811.db2.gz	TWEHFRHKEWFKGC-QHHAFSJGSA-N	0	0	475.151	5.191	40	5		JKBBRN
O=[N+]([O-])/C=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1	ZINC000008856953	554753215	/nfs/dbraw/zinc/75/32/15/554753215.db2.gz	CJJPRVWGHPDPBJ-HNENSFHCSA-N	0	0	467.521	6.671	40	5		JKBBRN
O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000008893482	554782233	/nfs/dbraw/zinc/78/22/33/554782233.db2.gz	XXFJIIFOHSDMJO-UHFFFAOYSA-N	0	0	498.520	5.468	40	5		JKBBRN
O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000008893525	554782243	/nfs/dbraw/zinc/78/22/43/554782243.db2.gz	VYXZEWLGRACNAF-UHFFFAOYSA-N	0	0	498.520	5.468	40	5		JKBBRN
CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1	ZINC000008898377	554788956	/nfs/dbraw/zinc/78/89/56/554788956.db2.gz	VFRICRHTGJVEBJ-UHFFFAOYSA-N	0	0	498.992	5.871	40	5		JKBBRN
O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000008898673	554789422	/nfs/dbraw/zinc/78/94/22/554789422.db2.gz	WKARCIMOVWTKMM-UHFFFAOYSA-N	0	0	480.735	5.777	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1	ZINC000008899308	554790245	/nfs/dbraw/zinc/79/02/45/554790245.db2.gz	IKDVAFJWDFLYPY-UHFFFAOYSA-N	0	0	476.920	6.217	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1[N+](=O)[O-]	ZINC000008899624	554790670	/nfs/dbraw/zinc/79/06/70/554790670.db2.gz	ZOGGUASQNCOFJF-UHFFFAOYSA-N	0	0	475.501	6.186	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1	ZINC000008900120	554791948	/nfs/dbraw/zinc/79/19/48/554791948.db2.gz	YOKLYKYKKOUSRS-UHFFFAOYSA-N	0	0	492.919	5.454	40	5		JKBBRN
Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl	ZINC000008900221	554792178	/nfs/dbraw/zinc/79/21/78/554792178.db2.gz	MZTXOEBQGYSTDE-UHFFFAOYSA-N	0	0	476.924	5.143	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)c(C)c1	ZINC000008900471	554792952	/nfs/dbraw/zinc/79/29/52/554792952.db2.gz	LMCDHPKCCBYRQY-JLHYYAGUSA-N	0	0	484.560	5.444	40	5		JKBBRN
Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000008900537	554793163	/nfs/dbraw/zinc/79/31/63/554793163.db2.gz	PBQICROJXVAAMV-UHFFFAOYSA-N	0	0	489.491	6.303	40	5		JKBBRN
O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008900865	554793564	/nfs/dbraw/zinc/79/35/64/554793564.db2.gz	HNPNNDGYKJCGEA-UHFFFAOYSA-N	0	0	499.354	6.006	40	5		JKBBRN
CC(C)c1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1	ZINC000008902986	554796952	/nfs/dbraw/zinc/79/69/52/554796952.db2.gz	KCEQVWOQJRWKNA-UHFFFAOYSA-N	0	0	486.528	5.615	40	5		JKBBRN
CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1	ZINC000008903243	554797258	/nfs/dbraw/zinc/79/72/58/554797258.db2.gz	IUIZCPWDCMDVNA-UHFFFAOYSA-N	0	0	465.487	5.674	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1[N+](=O)[O-]	ZINC000008903844	554798103	/nfs/dbraw/zinc/79/81/03/554798103.db2.gz	OQKUKEBDNCKCRN-UHFFFAOYSA-N	0	0	463.446	5.071	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)sc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000008926522	554823225	/nfs/dbraw/zinc/82/32/25/554823225.db2.gz	SJKYWRSSZGUVSB-UHFFFAOYSA-N	0	0	487.921	5.218	40	5		JKBBRN
COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000008974443	554845825	/nfs/dbraw/zinc/84/58/25/554845825.db2.gz	QDIXKEGDBTYJGN-PZYJALBSSA-N	0	0	490.943	5.253	40	5		JKBBRN
O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	ZINC000008989809	554851355	/nfs/dbraw/zinc/85/13/55/554851355.db2.gz	KXGAFQPHKPLVHI-DEDYPNTBSA-N	0	0	455.392	5.023	40	5		JKBBRN
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000009056495	554875033	/nfs/dbraw/zinc/87/50/33/554875033.db2.gz	OGDILMNNZADNOC-UHFFFAOYSA-N	0	0	456.252	5.113	40	5		JKBBRN
Cc1sc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n(-c3ccc(C)cc3)c(=O)c2c1C	ZINC000009058481	554877376	/nfs/dbraw/zinc/87/73/76/554877376.db2.gz	HLKIPLRFLCRNJW-UHFFFAOYSA-N	0	0	480.571	5.011	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	ZINC000009062366	554879756	/nfs/dbraw/zinc/87/97/56/554879756.db2.gz	KXIDDRAGKIDQOW-UHFFFAOYSA-N	0	0	498.282	5.456	40	5		JKBBRN
O=C(Cc1cccc2ccccc21)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000009062391	554879849	/nfs/dbraw/zinc/87/98/49/554879849.db2.gz	RMEMWIPLTLDJJP-UHFFFAOYSA-N	0	0	493.479	5.232	40	5		JKBBRN
O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1)c1cc2ccccc2o1	ZINC000009062468	554880226	/nfs/dbraw/zinc/88/02/26/554880226.db2.gz	CAKZSALATIALCS-UHFFFAOYSA-N	0	0	485.481	5.364	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000009232586	555004975	/nfs/dbraw/zinc/00/49/75/555004975.db2.gz	OFOMMQZRIUDNIO-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1	ZINC000009570495	555368295	/nfs/dbraw/zinc/36/82/95/555368295.db2.gz	IZYTWKSRYJBZPL-UHFFFAOYSA-N	0	0	493.976	5.459	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)o1	ZINC000013371667	555392615	/nfs/dbraw/zinc/39/26/15/555392615.db2.gz	BJOSBOMAJZWWEP-UHFFFAOYSA-N	0	0	475.888	6.321	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(c1ccccc1)c1ccc2ccccc2c1	ZINC000013382188	555393576	/nfs/dbraw/zinc/39/35/76/555393576.db2.gz	MQFQRQZKRPZHPM-UHFFFAOYSA-N	0	0	482.521	6.255	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000013388575	555394143	/nfs/dbraw/zinc/39/41/43/555394143.db2.gz	RKLAOIXNLVKKKK-UHFFFAOYSA-N	0	0	487.921	5.218	40	5		JKBBRN
O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)Nc1ccccc1[N+](=O)[O-]	ZINC000013388937	555394538	/nfs/dbraw/zinc/39/45/38/555394538.db2.gz	MAZXXNJUANEFIN-UHFFFAOYSA-N	0	0	450.907	5.589	40	5		JKBBRN
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000013402574	555396087	/nfs/dbraw/zinc/39/60/87/555396087.db2.gz	VYEOHMXBLIEAPS-IYBDPMFKSA-N	0	0	464.430	5.339	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(/Br)c2ccccc2)cc1/C=C/c1ccccc1	ZINC000013403295	555396292	/nfs/dbraw/zinc/39/62/92/555396292.db2.gz	IZUCMCYILUILLB-IZOCETQSSA-N	0	0	451.276	6.566	40	5		JKBBRN
O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000013425314	555399240	/nfs/dbraw/zinc/39/92/40/555399240.db2.gz	LSCXYOMIWWIDDA-UHFFFAOYSA-N	0	0	494.882	5.553	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)c3ccc(Cl)cc3)c2C)n1Cc1cccc([N+](=O)[O-])c1	ZINC000013500044	555435953	/nfs/dbraw/zinc/43/59/53/555435953.db2.gz	BBXRDZOKXVCYJH-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)Nc3cccc(Cl)c3)c2C)n1Cc1cccc([N+](=O)[O-])c1	ZINC000013500046	555436063	/nfs/dbraw/zinc/43/60/63/555436063.db2.gz	SQBHUOXKKPWTOQ-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nc2ccccc2cc1CC	ZINC000013503551	555461233	/nfs/dbraw/zinc/46/12/33/555461233.db2.gz	LFQDDYGPLIHJSK-UHFFFAOYSA-N	0	0	455.536	5.234	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1ccccc1[N+](=O)[O-]	ZINC000013509718	555481515	/nfs/dbraw/zinc/48/15/15/555481515.db2.gz	YOUHQHYGCYFALM-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-]	ZINC000013509720	555481542	/nfs/dbraw/zinc/48/15/42/555481542.db2.gz	MTEGSNFQFKFSOM-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
Cc1ccc(-c2nsc3c2ncnc3SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	ZINC000013511004	555482839	/nfs/dbraw/zinc/48/28/39/555482839.db2.gz	MGAQJJAKOTZAEK-UHFFFAOYSA-N	0	0	451.533	5.009	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000019856307	555514793	/nfs/dbraw/zinc/51/47/93/555514793.db2.gz	YVRMBRAGKSUUCR-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)c(Cl)c2)cc1	ZINC000019856335	555515107	/nfs/dbraw/zinc/51/51/07/555515107.db2.gz	RDURYTPYNXMRCO-UHFFFAOYSA-N	0	0	487.965	5.007	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl	ZINC000019894514	555532979	/nfs/dbraw/zinc/53/29/79/555532979.db2.gz	YCYIVEXFGPWQCA-UHFFFAOYSA-N	0	0	470.337	6.944	40	5		JKBBRN
O=C(CSc1nnc(-c2ccccc2Cl)o1)c1cc([N+](=O)[O-])ccc1Br	ZINC000019927354	555542267	/nfs/dbraw/zinc/54/22/67/555542267.db2.gz	RJYSAZWFEYUPAY-UHFFFAOYSA-N	0	0	454.689	5.036	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1Br	ZINC000019927324	555542285	/nfs/dbraw/zinc/54/22/85/555542285.db2.gz	RAHBHJWKNVCPLY-UHFFFAOYSA-N	0	0	499.140	5.145	40	5		JKBBRN
CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Br)cc1	ZINC000019927282	555542326	/nfs/dbraw/zinc/54/23/26/555542326.db2.gz	HQSGJECGNCIZKM-UHFFFAOYSA-N	0	0	481.759	5.264	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc21	ZINC000010010640	555593088	/nfs/dbraw/zinc/59/30/88/555593088.db2.gz	VBRWBSNRJISCHU-UHFFFAOYSA-N	0	0	464.286	6.032	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1	ZINC000020076723	555628831	/nfs/dbraw/zinc/62/88/31/555628831.db2.gz	KHCBPOLOQFPYMG-UHFFFAOYSA-N	0	0	479.583	6.077	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)oc2c(Br)c1	ZINC000010119754	555631257	/nfs/dbraw/zinc/63/12/57/555631257.db2.gz	FYQOYTOGNQOFSI-UHFFFAOYSA-N	0	0	480.318	6.289	40	5		JKBBRN
COc1cc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC	ZINC000010120216	555632548	/nfs/dbraw/zinc/63/25/48/555632548.db2.gz	XJJKOMUYFGAFSI-UHFFFAOYSA-N	0	0	483.864	5.335	40	5		JKBBRN
O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000020139631	555662659	/nfs/dbraw/zinc/66/26/59/555662659.db2.gz	KDNDSXPRSUDTBE-UHFFFAOYSA-N	0	0	463.298	6.121	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1	ZINC000020140610	555663188	/nfs/dbraw/zinc/66/31/88/555663188.db2.gz	XHANBYNRJNZWHX-UHFFFAOYSA-N	0	0	452.850	5.821	40	5		JKBBRN
O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000020142608	555663531	/nfs/dbraw/zinc/66/35/31/555663531.db2.gz	AXWRFYIECSFEAN-UHFFFAOYSA-N	0	0	455.898	5.243	40	5		JKBBRN
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)CC1	ZINC000020142862	555663768	/nfs/dbraw/zinc/66/37/68/555663768.db2.gz	PIAYYEHIFJKPFJ-UHFFFAOYSA-N	0	0	469.925	5.489	40	5		JKBBRN
CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3ccc(OC)cc3)cc([N+](=O)[O-])c2)cc1	ZINC000020176907	555682547	/nfs/dbraw/zinc/68/25/47/555682547.db2.gz	UPKPPTBQYSUCHP-UHFFFAOYSA-N	0	0	467.503	5.172	40	5		JKBBRN
CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3cccc(C)c3)cc([N+](=O)[O-])c2)cc1	ZINC000020176909	555682603	/nfs/dbraw/zinc/68/26/03/555682603.db2.gz	ZUCZUQWNPKPLEM-UHFFFAOYSA-N	0	0	451.504	5.472	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)o1	ZINC000014132046	555699972	/nfs/dbraw/zinc/69/99/72/555699972.db2.gz	NASJDQAZSMIRKI-ZVHZXABRSA-N	0	0	486.505	6.253	40	5		JKBBRN
COc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000010372875	555700501	/nfs/dbraw/zinc/70/05/01/555700501.db2.gz	FCGKJTXWFHPAHH-UHFFFAOYSA-N	0	0	499.523	6.052	40	5		JKBBRN
Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000014269265	555758195	/nfs/dbraw/zinc/75/81/95/555758195.db2.gz	LLMRASLMRBMAPP-UHFFFAOYSA-N	0	0	473.510	5.112	40	5		JKBBRN
O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014269435	555759220	/nfs/dbraw/zinc/75/92/20/555759220.db2.gz	VDZCFSZXDMPYIO-UHFFFAOYSA-N	0	0	470.721	5.942	40	5		JKBBRN
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014269572	555759426	/nfs/dbraw/zinc/75/94/26/555759426.db2.gz	QTPMOFWFQGESDN-UHFFFAOYSA-N	0	0	453.351	5.019	40	5		JKBBRN
Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000014269973	555760907	/nfs/dbraw/zinc/76/09/07/555760907.db2.gz	RRNANEIAYYHMIG-UHFFFAOYSA-N	0	0	450.303	5.597	40	5		JKBBRN
CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	ZINC000014270854	555764114	/nfs/dbraw/zinc/76/41/14/555764114.db2.gz	DQIOULSUDVSZEH-DHZHZOJOSA-N	0	0	452.561	5.368	40	5		JKBBRN
CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1	ZINC000014271346	555766004	/nfs/dbraw/zinc/76/60/04/555766004.db2.gz	VHTLXTDZECPURI-UHFFFAOYSA-N	0	0	464.547	5.218	40	5		JKBBRN
Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014272065	555768761	/nfs/dbraw/zinc/76/87/61/555768761.db2.gz	ACVSIHNNYSBYTD-UHFFFAOYSA-N	0	0	458.543	6.032	40	5		JKBBRN
Cc1ccc2nc(-c3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3Cl)oc2c1	ZINC000014272176	555769033	/nfs/dbraw/zinc/76/90/33/555769033.db2.gz	OCXAKCJCBUWXLP-RUDMXATFSA-N	0	0	468.296	6.670	40	5		JKBBRN
Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1	ZINC000014272283	555769430	/nfs/dbraw/zinc/76/94/30/555769430.db2.gz	HMKXDWNLFZIPTH-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000014272354	555769668	/nfs/dbraw/zinc/76/96/68/555769668.db2.gz	VBIXCRJZHNHLCZ-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000014272505	555770236	/nfs/dbraw/zinc/77/02/36/555770236.db2.gz	YSBKTRYIVDBEPB-UHFFFAOYSA-N	0	0	460.298	6.537	40	5		JKBBRN
CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000014272712	555770841	/nfs/dbraw/zinc/77/08/41/555770841.db2.gz	NJBHOOZPSOERCV-UHFFFAOYSA-N	0	0	470.533	5.052	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)c(C)c1	ZINC000014272816	555770994	/nfs/dbraw/zinc/77/09/94/555770994.db2.gz	WINPHRFCWNZJPM-UHFFFAOYSA-N	0	0	472.549	5.352	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000014272940	555771537	/nfs/dbraw/zinc/77/15/37/555771537.db2.gz	PKTXVGBQOMSYLS-HWKANZROSA-N	0	0	451.693	6.775	40	5		JKBBRN
O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014274347	555776475	/nfs/dbraw/zinc/77/64/75/555776475.db2.gz	HVUPPQMPPVXBRP-UHFFFAOYSA-N	0	0	474.542	5.611	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000014274575	555777264	/nfs/dbraw/zinc/77/72/64/555777264.db2.gz	SHZXETMAIWNVKI-XBXARRHUSA-N	0	0	496.759	6.341	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014274721	555777580	/nfs/dbraw/zinc/77/75/80/555777580.db2.gz	SWGJTDRBYSNMNR-UHFFFAOYSA-N	0	0	487.541	5.130	40	5		JKBBRN
CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)nc2c1	ZINC000014275191	555780135	/nfs/dbraw/zinc/78/01/35/555780135.db2.gz	SNSPZIVTVJYBBR-UHFFFAOYSA-N	0	0	476.514	5.106	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000020353312	555781185	/nfs/dbraw/zinc/78/11/85/555781185.db2.gz	SJTDXABTSRJYIX-OAHLLOKOSA-N	0	0	488.569	6.352	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1[N+](=O)[O-]	ZINC000014275823	555782026	/nfs/dbraw/zinc/78/20/26/555782026.db2.gz	XNLBWVSMCOQGGO-UHFFFAOYSA-N	0	0	488.573	5.196	40	5		JKBBRN
O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014277510	555786023	/nfs/dbraw/zinc/78/60/23/555786023.db2.gz	PHPLAROXMWLJPO-UHFFFAOYSA-N	0	0	478.961	6.377	40	5		JKBBRN
COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000014277566	555786220	/nfs/dbraw/zinc/78/62/20/555786220.db2.gz	KWCWWBKLYALMNW-UHFFFAOYSA-N	0	0	474.325	6.439	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000014277569	555786258	/nfs/dbraw/zinc/78/62/58/555786258.db2.gz	LGAXKIQUDVSGKY-UHFFFAOYSA-N	0	0	488.352	6.829	40	5		JKBBRN
Cc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1	ZINC000014277806	555786802	/nfs/dbraw/zinc/78/68/02/555786802.db2.gz	GZNOXTFNROUKGR-UHFFFAOYSA-N	0	0	476.920	6.217	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)oc2c1	ZINC000014277881	555787207	/nfs/dbraw/zinc/78/72/07/555787207.db2.gz	UNJSGRALKUEJFB-UHFFFAOYSA-N	0	0	473.872	6.877	40	5		JKBBRN
CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000014278082	555787709	/nfs/dbraw/zinc/78/77/09/555787709.db2.gz	JEVZEXYQEMHQBV-UHFFFAOYSA-N	0	0	486.528	5.363	40	5		JKBBRN
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl	ZINC000020410805	555787840	/nfs/dbraw/zinc/78/78/40/555787840.db2.gz	GDJQLMLTRYQVLR-UHFFFAOYSA-N	0	0	452.319	5.205	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000014278259	555787947	/nfs/dbraw/zinc/78/79/47/555787947.db2.gz	WNXUNORMYKAPSV-UHFFFAOYSA-N	0	0	478.291	7.115	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014278278	555787967	/nfs/dbraw/zinc/78/79/67/555787967.db2.gz	AXLNWGHDYMZAKO-UHFFFAOYSA-N	0	0	478.508	6.409	40	5		JKBBRN
O=C(Nc1nc2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2s1)c1ccco1	ZINC000020411038	555788118	/nfs/dbraw/zinc/78/81/18/555788118.db2.gz	YERCERMHKPQJGT-UHFFFAOYSA-N	0	0	498.929	6.170	40	5		JKBBRN
CC(C)c1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1	ZINC000020411253	555788405	/nfs/dbraw/zinc/78/84/05/555788405.db2.gz	FDPBDYIWQCBQLE-UHFFFAOYSA-N	0	0	491.956	7.647	40	5		JKBBRN
CCCCOC(=O)c1ccc2nc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)sc2c1	ZINC000020411474	555789024	/nfs/dbraw/zinc/78/90/24/555789024.db2.gz	HDNFCXJWCCBOOQ-UHFFFAOYSA-N	0	0	489.962	6.282	40	5		JKBBRN
COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1ccccc1Cl	ZINC000014278790	555789425	/nfs/dbraw/zinc/78/94/25/555789425.db2.gz	PPQPFBLRBHDNIJ-UHFFFAOYSA-N	0	0	491.887	6.021	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1OC	ZINC000020411978	555789578	/nfs/dbraw/zinc/78/95/78/555789578.db2.gz	YEBLHQOXFSBDCM-UHFFFAOYSA-N	0	0	453.838	5.326	40	5		JKBBRN
O=C(Oc1c(Br)cc(Br)c2cccnc21)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000011613926	555790508	/nfs/dbraw/zinc/79/05/08/555790508.db2.gz	QYNMFJIVOGUKOD-UHFFFAOYSA-N	0	0	486.503	5.541	40	5		JKBBRN
COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-]	ZINC000020528438	555792347	/nfs/dbraw/zinc/79/23/47/555792347.db2.gz	DTEIEANMTKMCIM-VQHVLOKHSA-N	0	0	488.250	5.186	40	5		JKBBRN
O=[N+]([O-])c1ccc(CSc2nnc(CNc3cccc4ccccc43)n2-c2ccccc2)cc1	ZINC000020530599	555797772	/nfs/dbraw/zinc/79/77/72/555797772.db2.gz	RLCHYAZLFDOIAO-UHFFFAOYSA-N	0	0	467.554	6.233	40	5		JKBBRN
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000014405047	555807675	/nfs/dbraw/zinc/80/76/75/555807675.db2.gz	WIQLKLCSLCEZQL-CCEZHUSRSA-N	0	0	481.512	5.302	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1	ZINC000021580693	555852555	/nfs/dbraw/zinc/85/25/55/555852555.db2.gz	SVVBBHNXSUAOPN-UHFFFAOYSA-N	0	0	468.469	5.967	40	5		JKBBRN
CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000021596073	555854302	/nfs/dbraw/zinc/85/43/02/555854302.db2.gz	ZIPPKNPPHPKYHS-FYWRMAATSA-N	0	0	493.523	6.111	40	5		JKBBRN
O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000022108100	555874934	/nfs/dbraw/zinc/87/49/34/555874934.db2.gz	UHPPXIHCOSIWHP-RXJAJXMTSA-N	0	0	482.923	5.672	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(OCC(F)(F)C(F)F)c([N+](=O)[O-])c1	ZINC000015231418	555889766	/nfs/dbraw/zinc/88/97/66/555889766.db2.gz	FXIKIBMEZMYKQU-UHFFFAOYSA-N	0	0	467.331	5.188	40	5		JKBBRN
COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2ccc(C)cc2)cc1OC	ZINC000015277045	555892548	/nfs/dbraw/zinc/89/25/48/555892548.db2.gz	OCIOOBXTVDWZBO-RQZHXJHFSA-N	0	0	475.570	5.926	40	5		JKBBRN
C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000015303455	555893952	/nfs/dbraw/zinc/89/39/52/555893952.db2.gz	PHSQMKVKFHIXHK-INIZCTEOSA-N	0	0	492.498	5.081	40	5		JKBBRN
CCOc1cc(/C=C2/N=C(c3ccccc3)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000015305868	555895096	/nfs/dbraw/zinc/89/50/96/555895096.db2.gz	VSTSDHZODUNYBK-FYJGNVAPSA-N	0	0	477.904	5.143	40	5		JKBBRN
O=C(c1ccc(Br)cc1)[C@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12	ZINC000012062440	555899676	/nfs/dbraw/zinc/89/96/76/555899676.db2.gz	NVSRYIFVBUTHEE-UARRHKHWSA-N	0	0	475.342	5.345	40	5		JKBBRN
Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC(C)C)ccc1[N+](=O)[O-]	ZINC000022257615	555905278	/nfs/dbraw/zinc/90/52/78/555905278.db2.gz	LGCFKHAFAVEISL-UHFFFAOYSA-N	0	0	493.347	5.324	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1	ZINC000022532695	555932354	/nfs/dbraw/zinc/93/23/54/555932354.db2.gz	ZIONNIVZVCMNDD-UHFFFAOYSA-N	0	0	451.910	6.050	40	5		JKBBRN
COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000022532670	555932431	/nfs/dbraw/zinc/93/24/31/555932431.db2.gz	UEGCDZWZJXEGNE-UHFFFAOYSA-N	0	0	451.866	5.934	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000022535823	555933354	/nfs/dbraw/zinc/93/33/54/555933354.db2.gz	HUGVJODTELGCOQ-UHFFFAOYSA-N	0	0	453.907	6.176	40	5		JKBBRN
CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2cccc([N+](=O)[O-])c2)Nc2ccccc2S3)cc1	ZINC000022564161	555935336	/nfs/dbraw/zinc/93/53/36/555935336.db2.gz	LHVSXOGRYHWSOR-QFIPXVFZSA-N	0	0	457.511	5.244	40	5		JKBBRN
O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1S2	ZINC000022572901	555938120	/nfs/dbraw/zinc/93/81/20/555938120.db2.gz	WVYMMABOWVFYNN-FQEVSTJZSA-N	0	0	463.902	5.335	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000022576326	555938658	/nfs/dbraw/zinc/93/86/58/555938658.db2.gz	PUGWCNAZTGZZMW-WUXMJOGZSA-N	0	0	465.893	5.067	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022706517	555943618	/nfs/dbraw/zinc/94/36/18/555943618.db2.gz	GZNFVAKXBUJREL-NTEUORMPSA-N	0	0	470.533	5.135	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1	ZINC000022707878	555944259	/nfs/dbraw/zinc/94/42/59/555944259.db2.gz	IQQDYSJTCYYOOU-JXMROGBWSA-N	0	0	471.922	5.352	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N+](=O)[O-]	ZINC000022707875	555944263	/nfs/dbraw/zinc/94/42/63/555944263.db2.gz	QANSRFRCIRYDCY-JXMROGBWSA-N	0	0	471.922	5.352	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl	ZINC000022712278	555946324	/nfs/dbraw/zinc/94/63/24/555946324.db2.gz	PJPYANQLVIAWRF-RMKNXTFCSA-N	0	0	476.341	5.996	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nc2c1	ZINC000022718354	555947988	/nfs/dbraw/zinc/94/79/88/555947988.db2.gz	FUYSGHUSWVAUAR-QGZVFWFLSA-N	0	0	481.508	7.429	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1	ZINC000022746522	555951383	/nfs/dbraw/zinc/95/13/83/555951383.db2.gz	VUIRMWBIDPDKLJ-UHFFFAOYSA-N	0	0	488.573	5.107	40	5		JKBBRN
Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cccc1[N+](=O)[O-]	ZINC000022748826	555952081	/nfs/dbraw/zinc/95/20/81/555952081.db2.gz	ZDHLDEADGOVEOT-UHFFFAOYSA-N	0	0	490.585	5.580	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000022820060	555955043	/nfs/dbraw/zinc/95/50/43/555955043.db2.gz	LGDYFWMSIAGVGZ-NTEUORMPSA-N	0	0	499.350	6.325	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c21	ZINC000012469693	555982056	/nfs/dbraw/zinc/98/20/56/555982056.db2.gz	KLRVPVUCMMHWHU-UHFFFAOYSA-N	0	0	454.508	5.445	40	5		JKBBRN
O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Br)cc32)cc1	ZINC000012485530	555987325	/nfs/dbraw/zinc/98/73/25/555987325.db2.gz	FQDGVFLBTVJYMH-UHFFFAOYSA-N	0	0	455.699	5.445	40	5		JKBBRN
C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C2	ZINC000012542481	556017747	/nfs/dbraw/zinc/01/77/47/556017747.db2.gz	YSITVHDEIGBBOV-NIYFSFCBSA-N	0	0	499.995	5.444	40	5		JKBBRN
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000016194594	556128542	/nfs/dbraw/zinc/12/85/42/556128542.db2.gz	PRQQRADHFOKQFO-AATRIKPKSA-N	0	0	450.303	5.686	40	5		JKBBRN
Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)oc2cc1C	ZINC000016284191	556132827	/nfs/dbraw/zinc/13/28/27/556132827.db2.gz	ZCLSLEXQACXMFM-UHFFFAOYSA-N	0	0	476.514	5.161	40	5		JKBBRN
O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc(Cl)c1Cl	ZINC000024522177	556133232	/nfs/dbraw/zinc/13/32/32/556133232.db2.gz	LIDZCSHPPIWSAL-UHFFFAOYSA-N	0	0	474.299	7.564	40	5		JKBBRN
O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000024522847	556133557	/nfs/dbraw/zinc/13/35/57/556133557.db2.gz	GOQPFORNQBFXPK-UHFFFAOYSA-N	0	0	483.911	6.466	40	5		JKBBRN
CCOC(=O)c1cccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000024522862	556133638	/nfs/dbraw/zinc/13/36/38/556133638.db2.gz	YHAWDBRGXXVEHG-BUHFOSPRSA-N	0	0	455.470	5.464	40	5		JKBBRN
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000016384545	556136916	/nfs/dbraw/zinc/13/69/16/556136916.db2.gz	IMGLDZLILFLXIK-UHFFFAOYSA-N	0	0	462.472	5.456	40	5		JKBBRN
O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000016399061	556137199	/nfs/dbraw/zinc/13/71/99/556137199.db2.gz	JMPSOVYTWZAPQI-UHFFFAOYSA-N	0	0	479.842	5.489	40	5		JKBBRN
O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000016525546	556142018	/nfs/dbraw/zinc/14/20/18/556142018.db2.gz	HSVNJFVORWJIMV-UHFFFAOYSA-N	0	0	460.515	5.221	40	5		JKBBRN
O=[N+]([O-])c1ccc2nc(Sc3nc4ccccc4o3)c(Sc3nc4ccccc4o3)nc2c1	ZINC000016545289	556143118	/nfs/dbraw/zinc/14/31/18/556143118.db2.gz	GANKLRRIIVWSFB-UHFFFAOYSA-N	0	0	473.495	6.123	40	5		JKBBRN
C[C@@H](NC(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000016576089	556144862	/nfs/dbraw/zinc/14/48/62/556144862.db2.gz	JVBIOQGKSFOPJA-SIGOSDGXSA-N	0	0	465.506	5.630	40	5		JKBBRN
CC1(C)C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000016577734	556145571	/nfs/dbraw/zinc/14/55/71/556145571.db2.gz	QASRUQBWIJSWCO-UUOWRZLLSA-N	0	0	498.540	5.031	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1[N+](=O)[O-]	ZINC000016610819	556146745	/nfs/dbraw/zinc/14/67/45/556146745.db2.gz	IETZOBDZSHAQBN-INIZCTEOSA-N	0	0	459.502	6.568	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1	ZINC000016611228	556147738	/nfs/dbraw/zinc/14/77/38/556147738.db2.gz	IUQQIRYGQCWLMY-OAHLLOKOSA-N	0	0	488.569	6.352	40	5		JKBBRN
CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000016688923	556152748	/nfs/dbraw/zinc/15/27/48/556152748.db2.gz	UAZUAMVMZIMHHI-FLIBITNWSA-N	0	0	451.479	5.095	40	5		JKBBRN
CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000016692001	556153468	/nfs/dbraw/zinc/15/34/68/556153468.db2.gz	YOKYRLKXMVJKBZ-UHFFFAOYSA-N	0	0	496.932	5.582	40	5		JKBBRN
Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@H](Sc2ccc([N+](=O)[O-])cc2)CS1	ZINC000016779180	556159088	/nfs/dbraw/zinc/15/90/88/556159088.db2.gz	UOQVQXFGBAILGX-UYAOXDASSA-N	0	0	481.624	5.839	40	5		JKBBRN
CCOc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1	ZINC000016789593	556161088	/nfs/dbraw/zinc/16/10/88/556161088.db2.gz	AQYYNYMUGUAAFK-UHFFFAOYSA-N	0	0	466.544	5.278	40	5		JKBBRN
COc1ccc(/C=C/c2cc(/C=C\c3ccc(OC)c(O)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1O	ZINC000016926265	556180723	/nfs/dbraw/zinc/18/07/23/556180723.db2.gz	DDOVAKHEWGAJHA-KYPMKJFLSA-N	0	0	464.430	5.272	40	5		JKBBRN
CCOc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/C(=O)c1cccc([N+](=O)[O-])c1	ZINC000017040956	556207573	/nfs/dbraw/zinc/20/75/73/556207573.db2.gz	HSJXQVJBZXRPMR-OCOZRVBESA-N	0	0	490.497	5.162	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000025968506	556239562	/nfs/dbraw/zinc/23/95/62/556239562.db2.gz	QRSMXVPBZPAMMV-UHFFFAOYSA-N	0	0	463.946	6.908	40	5		JKBBRN
CC(C)(C)[C@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1	ZINC000017253648	556248326	/nfs/dbraw/zinc/24/83/26/556248326.db2.gz	DZQLBFSYEPOYJZ-AFZMZZQISA-N	0	0	471.557	5.909	40	5		JKBBRN
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000026124557	556249810	/nfs/dbraw/zinc/24/98/10/556249810.db2.gz	HLYYDFDQXBAOTF-ACCUITESSA-N	0	0	499.914	6.202	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl	ZINC000026780015	556262112	/nfs/dbraw/zinc/26/21/12/556262112.db2.gz	MLSKOXSFNSPXLB-UHFFFAOYSA-N	0	0	481.317	5.346	40	5		JKBBRN
O=C(C[C@H](c1ccccc1)C([C@@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-])c1ccccc1	ZINC000018096391	556286850	/nfs/dbraw/zinc/28/68/50/556286850.db2.gz	SBZQETAJBOAVFV-SWRQNJEFSA-N	0	0	477.560	6.745	40	5		JKBBRN
COCc1c(C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)sc2cccc(F)c21	ZINC000013096605	556291212	/nfs/dbraw/zinc/29/12/12/556291212.db2.gz	ZEBDQZGKWIWDIP-UHFFFAOYSA-N	0	0	469.541	6.702	40	5		JKBBRN
Cc1c(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cccc1[N+](=O)[O-]	ZINC000032114449	556421025	/nfs/dbraw/zinc/42/10/25/556421025.db2.gz	QRORYOPHCFJWFQ-UHFFFAOYSA-N	0	0	487.899	6.536	40	5		JKBBRN
Cc1cc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)ccc1[N+](=O)[O-]	ZINC000032114544	556421372	/nfs/dbraw/zinc/42/13/72/556421372.db2.gz	VIMBAFZHHTVMHJ-UHFFFAOYSA-N	0	0	487.899	6.536	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-]	ZINC000032114764	556421612	/nfs/dbraw/zinc/42/16/12/556421612.db2.gz	SOIXIZRTVJUNCD-UHFFFAOYSA-N	0	0	473.819	5.986	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000032115123	556422151	/nfs/dbraw/zinc/42/21/51/556422151.db2.gz	RXNMSBYPPCPAQI-UHFFFAOYSA-N	0	0	495.825	6.847	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1C	ZINC000032116360	556423252	/nfs/dbraw/zinc/42/32/52/556423252.db2.gz	BDMYQWZDYMMPDG-UHFFFAOYSA-N	0	0	480.933	5.800	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C	ZINC000032116572	556424311	/nfs/dbraw/zinc/42/43/11/556424311.db2.gz	UVZSZIADKVBJHU-UHFFFAOYSA-N	0	0	480.933	5.800	40	5		JKBBRN
O=c1/c(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)sc2nc3ccccc3n12	ZINC000032116854	556425450	/nfs/dbraw/zinc/42/54/50/556425450.db2.gz	BCHGSBUSFRHENH-NDENLUEZSA-N	0	0	465.943	5.170	40	5		JKBBRN
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O	ZINC000032124718	556427701	/nfs/dbraw/zinc/42/77/01/556427701.db2.gz	YXDBSQGEDSTOPE-DKNZLLBESA-N	0	0	486.571	5.432	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124941	556428357	/nfs/dbraw/zinc/42/83/57/556428357.db2.gz	GEGUJQQCDGLNLS-XKZIYDEJSA-N	0	0	480.542	6.430	40	5		JKBBRN
COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1[N+](=O)[O-]	ZINC000032127857	556432623	/nfs/dbraw/zinc/43/26/23/556432623.db2.gz	FSZURBSPUZHCKN-UHFFFAOYSA-N	0	0	498.520	5.692	40	5		JKBBRN
COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2=Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000032594552	556448867	/nfs/dbraw/zinc/44/88/67/556448867.db2.gz	JQOXYJDJLCURGZ-AUAXKSBWSA-O	0	0	485.545	5.361	40	5		JKBBRN
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1	ZINC000032597713	556449460	/nfs/dbraw/zinc/44/94/60/556449460.db2.gz	ZRYQTJAWONUMGQ-VLOXRPPESA-N	0	0	457.338	6.721	40	5		JKBBRN
CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC	ZINC000057312963	569596443	/nfs/dbraw/zinc/59/64/43/569596443.db2.gz	YTKWCCHVZBCNTH-NTCAYCPXSA-N	0	0	463.490	5.644	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)NCc3ccc(-c4nc5ccccc5o4)cc3)cc2[N+](=O)[O-])CC1	ZINC000057313285	569596601	/nfs/dbraw/zinc/59/66/01/569596601.db2.gz	YETNBTDKNPCKST-UHFFFAOYSA-N	0	0	470.529	5.569	40	5		JKBBRN
O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057313370	569596618	/nfs/dbraw/zinc/59/66/18/569596618.db2.gz	XOFXGRHYPAJMSU-UHFFFAOYSA-N	0	0	484.320	7.177	40	5		JKBBRN
CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2s1	ZINC000057313315	569596629	/nfs/dbraw/zinc/59/66/29/569596629.db2.gz	MZBCCQMQIVLWKQ-UHFFFAOYSA-N	0	0	481.578	5.432	40	5		JKBBRN
Cc1cccc(C(=O)Nc2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)c1	ZINC000057313563	569596717	/nfs/dbraw/zinc/59/67/17/569596717.db2.gz	OCVFBMLLLBYDIU-UHFFFAOYSA-N	0	0	465.918	6.276	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)cc2[N+](=O)[O-])CC1	ZINC000057314085	569596834	/nfs/dbraw/zinc/59/68/34/569596834.db2.gz	HYMPVBXWMJWEJT-UHFFFAOYSA-N	0	0	465.937	6.529	40	5		JKBBRN
O=C(Nc1ccc(I)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057313794	569596845	/nfs/dbraw/zinc/59/68/45/569596845.db2.gz	RAFKFLOOOGAURE-UHFFFAOYSA-N	0	0	458.664	5.320	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000057314022	569596866	/nfs/dbraw/zinc/59/68/66/569596866.db2.gz	XAXJUCQCTWDSIA-UHFFFAOYSA-N	0	0	486.528	5.900	40	5		JKBBRN
O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057315571	569597108	/nfs/dbraw/zinc/59/71/08/569597108.db2.gz	IWYCMYNBACBYAR-UHFFFAOYSA-N	0	0	486.336	6.621	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)cc2[N+](=O)[O-])CC1	ZINC000057315984	569597314	/nfs/dbraw/zinc/59/73/14/569597314.db2.gz	MMSCYPHNQILEIG-UHFFFAOYSA-N	0	0	456.974	5.727	40	5		JKBBRN
CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000057316031	569597339	/nfs/dbraw/zinc/59/73/39/569597339.db2.gz	HGGQGWOBEYVGCS-UHFFFAOYSA-N	0	0	498.583	7.015	40	5		JKBBRN
Cc1cc2nc(-c3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3)oc2c(C)c1	ZINC000057316018	569597361	/nfs/dbraw/zinc/59/73/61/569597361.db2.gz	IHZAGRSZHUYBDV-UHFFFAOYSA-N	0	0	477.929	7.140	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(NC(=O)Cc2ccccc2)cc1	ZINC000057315911	569597363	/nfs/dbraw/zinc/59/73/63/569597363.db2.gz	SLXMXUZUKCSKGA-BMRADRMJSA-N	0	0	467.481	5.688	40	5		JKBBRN
Cc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc(C)c1I	ZINC000057316126	569597516	/nfs/dbraw/zinc/59/75/16/569597516.db2.gz	AHZGRBABHDORSV-UHFFFAOYSA-N	0	0	486.718	5.937	40	5		JKBBRN
CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000057316100	569597518	/nfs/dbraw/zinc/59/75/18/569597518.db2.gz	OTZXWHMQTXQBOF-UHFFFAOYSA-N	0	0	462.325	5.277	40	5		JKBBRN
CCc1nnc2sc(-c3cccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)nn12	ZINC000057316989	569598268	/nfs/dbraw/zinc/59/82/68/569598268.db2.gz	QWSITVKOQFRUGW-UHFFFAOYSA-N	0	0	484.950	5.444	40	5		JKBBRN
O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057317091	569598335	/nfs/dbraw/zinc/59/83/35/569598335.db2.gz	MSPSGILLNUXBIZ-UHFFFAOYSA-N	0	0	491.750	6.415	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)oc2c1	ZINC000059294104	569602433	/nfs/dbraw/zinc/60/24/33/569602433.db2.gz	HBDJOLLBAIWZCW-UHFFFAOYSA-N	0	0	470.529	6.200	40	5		JKBBRN
O=C(Nc1cccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1)c1cccs1	ZINC000059294160	569602455	/nfs/dbraw/zinc/60/24/55/569602455.db2.gz	MQQIDYKRNXEXCV-UHFFFAOYSA-N	0	0	457.920	6.029	40	5		JKBBRN
Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000059294429	569602507	/nfs/dbraw/zinc/60/25/07/569602507.db2.gz	PHVJZUXUKACDNS-UHFFFAOYSA-N	0	0	490.497	5.135	40	5		JKBBRN
Cc1ccc2nc(-c3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)oc2c1	ZINC000059294334	569602527	/nfs/dbraw/zinc/60/25/27/569602527.db2.gz	ZMOWELOOAYJTNK-UKTHLTGXSA-N	0	0	499.910	7.277	40	5		JKBBRN
Cc1cc2c(cc1C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2	ZINC000059428142	569603612	/nfs/dbraw/zinc/60/36/12/569603612.db2.gz	XVVIGZCWSOELBO-UHFFFAOYSA-N	0	0	456.614	6.556	40	5		JKBBRN
COc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000059463622	569604298	/nfs/dbraw/zinc/60/42/98/569604298.db2.gz	PDCVJZPTOVUQCV-UHFFFAOYSA-N	0	0	465.918	6.300	40	5		JKBBRN
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2s1	ZINC000059472572	569604410	/nfs/dbraw/zinc/60/44/10/569604410.db2.gz	FBVDEZXYDHRUDX-UHFFFAOYSA-N	0	0	492.582	5.804	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(CSc3nnc(Cc4cccc5ccccc54)n3-c3ccccc3)c[nH]c2c1	ZINC000059474754	569604518	/nfs/dbraw/zinc/60/45/18/569604518.db2.gz	UXHMDQWTQCAOMR-UHFFFAOYSA-N	0	0	491.576	6.693	40	5		JKBBRN
Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc3c2)cc1	ZINC000059474798	569604521	/nfs/dbraw/zinc/60/45/21/569604521.db2.gz	GFPGLULJNDBEBY-UHFFFAOYSA-N	0	0	478.555	5.496	40	5		JKBBRN
O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)Nc1ccc([N+](=O)[O-])cc1	ZINC000059474819	569604547	/nfs/dbraw/zinc/60/45/47/569604547.db2.gz	SGEMKOPKEQPINM-UHFFFAOYSA-N	0	0	464.528	5.188	40	5		JKBBRN
CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@H](Nc1ccccn1)n1nnc2ccccc21	ZINC000059488685	569605530	/nfs/dbraw/zinc/60/55/30/569605530.db2.gz	ZVPJMVXWLFLHHV-AREMUKBSSA-N	0	0	473.581	5.512	40	5		JKBBRN
Cc1ccccc1OCc1nnc(SCc2c[nH]c3cc([N+](=O)[O-])ccc23)n1-c1ccccc1	ZINC000059489576	569605781	/nfs/dbraw/zinc/60/57/81/569605781.db2.gz	RSTCMUUMMSLLGU-UHFFFAOYSA-N	0	0	471.542	5.837	40	5		JKBBRN
O=C1c2cccc3cccc(c32)C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000059489673	569605784	/nfs/dbraw/zinc/60/57/84/569605784.db2.gz	HKIXMAFYSDXFGC-UHFFFAOYSA-N	0	0	497.557	6.451	40	5		JKBBRN
Cc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)ccc1[N+](=O)[O-]	ZINC000059557258	569606710	/nfs/dbraw/zinc/60/67/10/569606710.db2.gz	SRVSZXLVELRBNY-UHFFFAOYSA-N	0	0	464.953	5.131	40	5		JKBBRN
COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000059567836	569607015	/nfs/dbraw/zinc/60/70/15/569607015.db2.gz	AHDGQRUSSKAGMG-UHFFFAOYSA-N	0	0	469.457	5.158	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000033383870	569625471	/nfs/dbraw/zinc/62/54/71/569625471.db2.gz	XDAZZFKXXPQPOJ-UHFFFAOYSA-N	0	0	493.928	5.457	40	5		JKBBRN
CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1	ZINC000033612947	569628762	/nfs/dbraw/zinc/62/87/62/569628762.db2.gz	MKMAYMKCFFPWHK-UHFFFAOYSA-N	0	0	462.915	5.064	40	5		JKBBRN
COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000033659063	569630016	/nfs/dbraw/zinc/63/00/16/569630016.db2.gz	KUWPUNPRWMLSQG-UHFFFAOYSA-N	0	0	497.463	6.114	40	5		JKBBRN
CO/N=C(/C)[C@@H]1[C@H]([C@H](C)[N+](=O)[O-])C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000033686628	569630834	/nfs/dbraw/zinc/63/08/34/569630834.db2.gz	HMHVRHXNTPHLFZ-VLECAFTCSA-N	0	0	460.615	5.411	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl	ZINC000035104962	569675050	/nfs/dbraw/zinc/67/50/50/569675050.db2.gz	IVFORSBVWCGKFO-UHFFFAOYSA-N	0	0	456.332	5.252	40	5		JKBBRN
O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	ZINC000035152038	569676176	/nfs/dbraw/zinc/67/61/76/569676176.db2.gz	XMCRMJDCEJYQJP-UHFFFAOYSA-N	0	0	494.979	5.461	40	5		JKBBRN
O=[N+]([O-])c1ccccc1/C=C/c1cc(/C=C\c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000068563152	569691260	/nfs/dbraw/zinc/69/12/60/569691260.db2.gz	VYMJPXODFITBKT-DSOJMZEYSA-N	0	0	462.374	5.660	40	5		JKBBRN
Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(C(F)(F)F)c5)c4c3c2)cn1	ZINC000071329484	569697068	/nfs/dbraw/zinc/69/70/68/569697068.db2.gz	MXRMEHBVJBSIPI-UHFFFAOYSA-N	0	0	450.395	5.341	40	5		JKBBRN
C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1[N+](=O)[O-]	ZINC000072229237	569700615	/nfs/dbraw/zinc/70/06/15/569700615.db2.gz	QREBQPHRJNVCAG-LBPRGKRZSA-N	0	0	452.736	5.642	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000072229997	569700752	/nfs/dbraw/zinc/70/07/52/569700752.db2.gz	VYIZDDLGZKKIDW-DEOSSOPVSA-N	0	0	465.937	5.573	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000072229905	569700762	/nfs/dbraw/zinc/70/07/62/569700762.db2.gz	DFRVHDXFAURFPZ-IBGZPJMESA-N	0	0	473.337	6.450	40	5		JKBBRN
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)CC1	ZINC000072230008	569700775	/nfs/dbraw/zinc/70/07/75/569700775.db2.gz	TYJHSUVKOFQYHD-VWLOTQADSA-N	0	0	479.964	5.819	40	5		JKBBRN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000035851851	569716796	/nfs/dbraw/zinc/71/67/96/569716796.db2.gz	QEKIEKMHKQUNFP-MGDCHWCSSA-N	0	0	499.592	5.030	40	5		JKBBRN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21	ZINC000035855409	569716946	/nfs/dbraw/zinc/71/69/46/569716946.db2.gz	AEMQDLSNILVURF-CBUXHAPBSA-N	0	0	499.592	5.030	40	5		JKBBRN
CC(C)[C@@H]1CC[C@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1	ZINC000036020245	569750100	/nfs/dbraw/zinc/75/01/00/569750100.db2.gz	MUSCJXZNWNRCOK-JMFZDZGDSA-N	0	0	470.549	9.486	40	5		JKBBRN
COc1cc(C=C2N[C@@H](c3ccccc3)N(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2=O)ccc1O	ZINC000100297909	569756900	/nfs/dbraw/zinc/75/69/00/569756900.db2.gz	UJEPZFMTORBPDR-JVGWPHRLSA-N	0	0	486.311	5.292	40	5		JKBBRN
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)CC1	ZINC000100764362	569769156	/nfs/dbraw/zinc/76/91/56/569769156.db2.gz	VZIGTKHTWHCUIU-CALCHBBNSA-N	0	0	451.519	5.183	40	5		JKBBRN
Cc1cccc2c(=O)c3c(O)cc(OC(=O)[C@H]4CC[C@H](CNC(=O)OC(C)(C)C)CC4)cc3oc12	ZINC000101375417	569795189	/nfs/dbraw/zinc/79/51/89/569795189.db2.gz	CWTXTJDQLLCPHB-CALCHBBNSA-N	0	0	481.545	5.197	40	5		JKBBRN
O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000039435890	569809884	/nfs/dbraw/zinc/80/98/84/569809884.db2.gz	PBIFZEZLWSEZDR-UHFFFAOYSA-N	0	0	461.861	6.013	40	5		JKBBRN
O=C1[C@@H]2[C@H](c3cccc4ccccc43)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102706940	569816570	/nfs/dbraw/zinc/81/65/70/569816570.db2.gz	SRLUQNQQGCXAOS-DSITVLBTSA-N	0	0	499.910	5.453	40	5		JKBBRN
Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000102773757	569823565	/nfs/dbraw/zinc/82/35/65/569823565.db2.gz	DCAZCKMMEAPQGQ-KALPRAJFSA-N	0	0	499.592	5.030	40	5		JKBBRN
COc1ccccc1Cn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O	ZINC000040398709	569825896	/nfs/dbraw/zinc/82/58/96/569825896.db2.gz	IHORPMZLAZJVNU-UHFFFAOYSA-N	0	0	478.335	5.064	40	5		JKBBRN
Cc1ccc(Cn2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)cc1	ZINC000040398711	569825961	/nfs/dbraw/zinc/82/59/61/569825961.db2.gz	BAIXPXMLYZCKOJ-UHFFFAOYSA-N	0	0	462.336	5.364	40	5		JKBBRN
O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1CCc1ccccc1	ZINC000040398717	569826024	/nfs/dbraw/zinc/82/60/24/569826024.db2.gz	QAWFJEFABDXKPW-UHFFFAOYSA-N	0	0	462.336	5.250	40	5		JKBBRN
O=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000103438294	569835018	/nfs/dbraw/zinc/83/50/18/569835018.db2.gz	KJCRNMQVFSKGOL-OHYPFYFLSA-N	0	0	475.508	5.865	40	5		JKBBRN
O=c1/c(=C/c2cc([N+](=O)[O-])ccc2OCc2cccc3ccccc32)sc2nc3ccccc3n12	ZINC000041078062	569836031	/nfs/dbraw/zinc/83/60/31/569836031.db2.gz	CZHLCASLXKVPKG-MYYYXRDXSA-N	0	0	479.517	5.097	40	5		JKBBRN
COc1ccc2c3ccc(OC(=O)[C@H]4CC[C@H](CNC(=O)OC(C)(C)C)CC4)cc3oc(=O)c2c1	ZINC000103647427	569836851	/nfs/dbraw/zinc/83/68/51/569836851.db2.gz	CGVGFUBMQWQPNR-CALCHBBNSA-N	0	0	481.545	5.191	40	5		JKBBRN
COc1ccc2c3ccc(OC(=O)[C@H]4CC[C@H](CNC(=O)OC(C)(C)C)CC4)c(C)c3oc(=O)c2c1	ZINC000103647424	569836951	/nfs/dbraw/zinc/83/69/51/569836951.db2.gz	KBBXNFZOJQVDNU-HDICACEKSA-N	0	0	495.572	5.500	40	5		JKBBRN
Cc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N/C(=O)c2cccc([N+](=O)[O-])c2)c1C	ZINC000104181346	569842475	/nfs/dbraw/zinc/84/24/75/569842475.db2.gz	ATYYMJNNPFSSOV-OCOZRVBESA-N	0	0	474.498	5.380	40	5		JKBBRN
CC1(C)[C@]2(c3ccccc3)[C@H]3[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)C[C@@H]3[C@]12c1ccccc1	ZINC000104280623	569844557	/nfs/dbraw/zinc/84/45/57/569844557.db2.gz	TTYZBJSFCZZGFK-ZQFINEHZSA-N	0	0	484.508	5.594	40	5		JKBBRN
CC1(C)[C@]2(c3ccccc3)[C@H]3[C@@H](Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])C[C@@H]3[C@]12c1ccccc1	ZINC000104280338	569844616	/nfs/dbraw/zinc/84/46/16/569844616.db2.gz	PKVJOCRCDBBKCX-GZDPPATPSA-N	0	0	456.498	5.816	40	5		JKBBRN
Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000105346137	569852860	/nfs/dbraw/zinc/85/28/60/569852860.db2.gz	QEKIEKMHKQUNFP-PAHOUZJPSA-N	0	0	499.592	5.030	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(Br)cc1	ZINC000106723393	569855108	/nfs/dbraw/zinc/85/51/08/569855108.db2.gz	OYGNPAXQCSGEIW-UUASQNMZSA-N	0	0	488.146	5.901	40	5		JKBBRN
Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1	ZINC000106374817	569854088	/nfs/dbraw/zinc/85/40/88/569854088.db2.gz	CZRSPJJBCHOQMC-UHFFFAOYSA-N	0	0	473.876	5.803	40	5		JKBBRN
COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000106680574	569854504	/nfs/dbraw/zinc/85/45/04/569854504.db2.gz	WMXDTYFSGXBMPH-UCQKPKSFSA-N	0	0	476.510	5.419	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1Cl	ZINC000106685015	569854620	/nfs/dbraw/zinc/85/46/20/569854620.db2.gz	PIJQEWGRJOIBNT-ODLFYWEKSA-N	0	0	467.890	5.672	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000106690425	569854668	/nfs/dbraw/zinc/85/46/68/569854668.db2.gz	WTKHRMLFOULZKU-MTJSOVHGSA-N	0	0	495.488	5.556	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1	ZINC000106702381	569854877	/nfs/dbraw/zinc/85/48/77/569854877.db2.gz	KLSIPLGRHVUEPH-JAIQZWGSSA-N	0	0	499.342	6.162	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000106721226	569855044	/nfs/dbraw/zinc/85/50/44/569855044.db2.gz	JVHXBOYVPNRBNZ-CHHVJCJISA-N	0	0	488.146	5.901	40	5		JKBBRN
CC(C)(C)c1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(C(C)(C)C)c1O	ZINC000106728112	569855252	/nfs/dbraw/zinc/85/52/52/569855252.db2.gz	DFUVIUGFACAOIW-MOSHPQCFSA-N	0	0	468.575	6.132	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000106733977	569855305	/nfs/dbraw/zinc/85/53/05/569855305.db2.gz	WQPFPINRLKEPGT-UUASQNMZSA-N	0	0	471.691	5.386	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106739498	569855362	/nfs/dbraw/zinc/85/53/62/569855362.db2.gz	HUPMUDITHZZOJR-QQXSKIMKSA-N	0	0	496.544	6.564	40	5		JKBBRN
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2	ZINC000106740675	569855367	/nfs/dbraw/zinc/85/53/67/569855367.db2.gz	IUGMOWIAWHPVDN-UKWGHVSLSA-N	0	0	483.889	5.004	40	5		JKBBRN
Cc1c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1	ZINC000106745434	569855418	/nfs/dbraw/zinc/85/54/18/569855418.db2.gz	COMSMUMJGQYPTD-MYYYXRDXSA-N	0	0	483.549	6.143	40	5		JKBBRN
CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	ZINC000106745693	569855434	/nfs/dbraw/zinc/85/54/34/569855434.db2.gz	IRILXSFAURHJIS-ZDLGFXPLSA-N	0	0	477.336	5.381	40	5		JKBBRN
CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O	ZINC000106749113	569855464	/nfs/dbraw/zinc/85/54/64/569855464.db2.gz	KCWXDBKDMKMTCH-ZDLGFXPLSA-N	0	0	492.962	5.387	40	5		JKBBRN
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C	ZINC000107895193	569857763	/nfs/dbraw/zinc/85/77/63/569857763.db2.gz	YABVAQKLXNNVLD-GOSISDBHSA-N	0	0	494.404	5.450	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C	ZINC000108018806	569858252	/nfs/dbraw/zinc/85/82/52/569858252.db2.gz	WFGAAHXTFNUXFI-UHFFFAOYSA-N	0	0	454.360	5.860	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl	ZINC000108036763	569858319	/nfs/dbraw/zinc/85/83/19/569858319.db2.gz	AWVSOWDAJVWQMG-UHFFFAOYSA-N	0	0	460.751	5.897	40	5		JKBBRN
COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1	ZINC000109040914	569860452	/nfs/dbraw/zinc/86/04/52/569860452.db2.gz	KOOGENRLNFPTDH-HJWRWDBZSA-N	0	0	492.269	5.254	40	5		JKBBRN
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@@]4(Cl)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118927734	569863800	/nfs/dbraw/zinc/86/38/00/569863800.db2.gz	IUOUNLSFGGCHFC-OANHQPRKSA-N	0	0	466.106	7.293	40	5		JKBBRN
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H]([N+](=O)[O-])[C@H]2C1	ZINC000118931958	569863968	/nfs/dbraw/zinc/86/39/68/569863968.db2.gz	LKHJDALEYCAKSL-NRDPMAAJSA-N	0	0	475.714	7.295	40	5		JKBBRN
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@H]([N+](=O)[O-])C[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12	ZINC000118931961	569864006	/nfs/dbraw/zinc/86/40/06/569864006.db2.gz	LKHJDALEYCAKSL-SBJPRDOKSA-N	0	0	475.714	7.295	40	5		JKBBRN
O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1c(F)cccc1Cl	ZINC000205662605	569874012	/nfs/dbraw/zinc/87/40/12/569874012.db2.gz	FBUPHTXZWYZDIE-RGVLZGJSSA-N	0	0	471.897	5.474	40	5		JKBBRN
Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1	ZINC000205680066	569874065	/nfs/dbraw/zinc/87/40/65/569874065.db2.gz	YPLVDVIUFQAGCS-OEAKJJBVSA-N	0	0	460.511	5.719	40	5		JKBBRN
Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000205680484	569874096	/nfs/dbraw/zinc/87/40/96/569874096.db2.gz	RPWAMOIRHUJSJS-OEAKJJBVSA-N	0	0	460.511	5.719	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000205702061	569874153	/nfs/dbraw/zinc/87/41/53/569874153.db2.gz	SHIFAHGZLPNNNP-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl	ZINC000205701510	569874154	/nfs/dbraw/zinc/87/41/54/569874154.db2.gz	BOTWVMQSFGCHPS-RGVLZGJSSA-N	0	0	498.900	5.531	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000205702044	569874157	/nfs/dbraw/zinc/87/41/57/569874157.db2.gz	GSULVMJHDWMVPV-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@H](C)CC	ZINC000205702753	569874170	/nfs/dbraw/zinc/87/41/70/569874170.db2.gz	JOEWMMBQOMJKFX-NWGMWSOJSA-N	0	0	456.520	5.407	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000205700425	569874188	/nfs/dbraw/zinc/87/41/88/569874188.db2.gz	IUHWOISURXXBMV-YBFXNURJSA-N	0	0	474.416	6.110	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000210215034	569876001	/nfs/dbraw/zinc/87/60/01/569876001.db2.gz	GEGWPVVSGMMCJF-ZDLGFXPLSA-N	0	0	461.282	6.403	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000214045816	569876238	/nfs/dbraw/zinc/87/62/38/569876238.db2.gz	RTEVJCYYNWYURE-OEAKJJBVSA-N	0	0	476.510	5.419	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1Cl	ZINC000214076587	569876309	/nfs/dbraw/zinc/87/63/09/569876309.db2.gz	NZRPQJGWELCDAQ-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000214236612	569876425	/nfs/dbraw/zinc/87/64/25/569876425.db2.gz	BTAILCPZRWBNQF-RGVLZGJSSA-N	0	0	481.461	5.166	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1	ZINC000214225552	569876441	/nfs/dbraw/zinc/87/64/41/569876441.db2.gz	RBJVYXRFRBAVLJ-SRZZPIQSSA-N	0	0	495.444	5.671	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(F)cc1	ZINC000214216191	569876459	/nfs/dbraw/zinc/87/64/59/569876459.db2.gz	CYWDDFKRNJNKIJ-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(F)cc1	ZINC000214200269	569876475	/nfs/dbraw/zinc/87/64/75/569876475.db2.gz	NXUDAVHQRBMISB-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214350824	569876587	/nfs/dbraw/zinc/87/65/87/569876587.db2.gz	ZILRLQSHOOMZTE-RGVLZGJSSA-N	0	0	454.435	5.239	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1	ZINC000214473896	569876706	/nfs/dbraw/zinc/87/67/06/569876706.db2.gz	SLMRYYBPARXJTJ-RGVLZGJSSA-N	0	0	454.891	6.053	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1	ZINC000214604506	569876733	/nfs/dbraw/zinc/87/67/33/569876733.db2.gz	CNVXPZAWPMWTQX-RGVLZGJSSA-N	0	0	454.891	6.053	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccccc1	ZINC000214657437	569876857	/nfs/dbraw/zinc/87/68/57/569876857.db2.gz	LXOGRFVFQZXSTO-YBFXNURJSA-N	0	0	483.889	5.183	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1	ZINC000214644428	569876877	/nfs/dbraw/zinc/87/68/77/569876877.db2.gz	SQFKDULPYAZGHW-YBFXNURJSA-N	0	0	483.889	5.183	40	5		JKBBRN
O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1	ZINC000214915851	569877084	/nfs/dbraw/zinc/87/70/84/569877084.db2.gz	AAJKIXDSDHUCAH-UDWIEESQSA-N	0	0	498.358	5.444	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214908600	569877087	/nfs/dbraw/zinc/87/70/87/569877087.db2.gz	FOUALQIOICMUCE-XQNSMLJCSA-N	0	0	476.510	5.289	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Br	ZINC000215091926	569877171	/nfs/dbraw/zinc/87/71/71/569877171.db2.gz	DFXWGEJOKDZNDH-YBFXNURJSA-N	0	0	485.315	5.854	40	5		JKBBRN
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1	ZINC000215256923	569877269	/nfs/dbraw/zinc/87/72/69/569877269.db2.gz	AOJKCWNMRCUUGY-FYJGNVAPSA-N	0	0	478.482	5.268	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000215256725	569877298	/nfs/dbraw/zinc/87/72/98/569877298.db2.gz	MHGRGRRXWGLILW-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000215271252	569877321	/nfs/dbraw/zinc/87/73/21/569877321.db2.gz	QWJXLZMXCRTDTQ-DJKKODMXSA-N	0	0	493.299	6.537	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1	ZINC000223119100	569899950	/nfs/dbraw/zinc/89/99/50/569899950.db2.gz	VTVCNVXSPCEKSZ-ZEQRLZLVSA-N	0	0	478.574	5.564	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1	ZINC000223365039	569908947	/nfs/dbraw/zinc/90/89/47/569908947.db2.gz	DWSZQXMDQHVEHF-DHIUTWEWSA-N	0	0	476.514	5.024	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223377159	569909343	/nfs/dbraw/zinc/90/93/43/569909343.db2.gz	UYWISHQMMANCGH-AMGIVPHBSA-N	0	0	487.600	5.001	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223399870	569909890	/nfs/dbraw/zinc/90/98/90/569909890.db2.gz	DPPRCVQAURJIBP-ZEQRLZLVSA-N	0	0	456.527	5.423	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223403312	569910013	/nfs/dbraw/zinc/91/00/13/569910013.db2.gz	IVBFWPNYAXUHGV-RPBOFIJWSA-N	0	0	486.553	5.431	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1	ZINC000223406838	569910188	/nfs/dbraw/zinc/91/01/88/569910188.db2.gz	CFUVXHXCTQPFDQ-RPWUZVMVSA-N	0	0	456.527	5.423	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223437409	569911405	/nfs/dbraw/zinc/91/14/05/569911405.db2.gz	DXFCVCLAKMRJCX-LOSJGSFVSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223437298	569911412	/nfs/dbraw/zinc/91/14/12/569911412.db2.gz	DXFCVCLAKMRJCX-DQEYMECFSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223445936	569911609	/nfs/dbraw/zinc/91/16/09/569911609.db2.gz	GMZYFTCXYNFXGF-DQEYMECFSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223775512	569922907	/nfs/dbraw/zinc/92/29/07/569922907.db2.gz	CEXZLTMSIDJENG-BJKOFHAPSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223782489	569923131	/nfs/dbraw/zinc/92/31/31/569923131.db2.gz	KYLAKQQKRBOBST-ZEQRLZLVSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223782603	569923184	/nfs/dbraw/zinc/92/31/84/569923184.db2.gz	KYLAKQQKRBOBST-BJKOFHAPSA-N	0	0	472.526	5.436	40	5		JKBBRN
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000223796728	569923635	/nfs/dbraw/zinc/92/36/35/569923635.db2.gz	JLXWCHFIZUCKIU-JOCHJYFZSA-N	0	0	492.041	5.205	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223877051	569925957	/nfs/dbraw/zinc/92/59/57/569925957.db2.gz	HNQVGNOZMFMGIX-DNQXCXABSA-N	0	0	488.525	5.141	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000223908672	569926921	/nfs/dbraw/zinc/92/69/21/569926921.db2.gz	PYRZFHBRVSGRRM-LOSJGSFVSA-N	0	0	484.585	5.024	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223918545	569927251	/nfs/dbraw/zinc/92/72/51/569927251.db2.gz	JKNXNTMNWYRXGA-JWQCQUIFSA-N	0	0	485.569	5.493	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223989890	569929641	/nfs/dbraw/zinc/92/96/41/569929641.db2.gz	GHVXCBOFWQEPBW-DQEYMECFSA-N	0	0	499.552	5.385	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224200648	569936283	/nfs/dbraw/zinc/93/62/83/569936283.db2.gz	BLUPERNEULZNNU-DEOSSOPVSA-N	0	0	483.634	5.003	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224213232	569936755	/nfs/dbraw/zinc/93/67/55/569936755.db2.gz	JJCBYBWLUWAYKA-BJKOFHAPSA-N	0	0	455.543	5.266	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1	ZINC000224218797	569936946	/nfs/dbraw/zinc/93/69/46/569936946.db2.gz	BLKGSFTYAPIOCW-RPBOFIJWSA-N	0	0	486.553	5.744	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1	ZINC000224218825	569936963	/nfs/dbraw/zinc/93/69/63/569936963.db2.gz	BLKGSFTYAPIOCW-LOSJGSFVSA-N	0	0	486.553	5.744	40	5		JKBBRN
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(-c2ccccc2)cc1	ZINC000224220032	569936980	/nfs/dbraw/zinc/93/69/80/569936980.db2.gz	XCWPJHPCHXSBAK-UHFFFAOYSA-N	0	0	454.482	6.102	40	5		JKBBRN
Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1	ZINC000224229022	569937264	/nfs/dbraw/zinc/93/72/64/569937264.db2.gz	WJLYPZQEUHWMEQ-AREMUKBSSA-N	0	0	487.600	5.001	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000224245513	569937897	/nfs/dbraw/zinc/93/78/97/569937897.db2.gz	WSKOYAHHEPGMJD-ZEQRLZLVSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1	ZINC000224245369	569937924	/nfs/dbraw/zinc/93/79/24/569937924.db2.gz	RYOXJGODGZGYHI-RPWUZVMVSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1	ZINC000224245406	569937932	/nfs/dbraw/zinc/93/79/32/569937932.db2.gz	RYOXJGODGZGYHI-BJKOFHAPSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224247999	569938001	/nfs/dbraw/zinc/93/80/01/569938001.db2.gz	CWLMVSGLKKBFSB-RPWUZVMVSA-N	0	0	456.527	5.735	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1	ZINC000224251448	569938144	/nfs/dbraw/zinc/93/81/44/569938144.db2.gz	KUFDBGXVEATMFB-JWQCQUIFSA-N	0	0	486.553	5.744	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224254600	569938220	/nfs/dbraw/zinc/93/82/20/569938220.db2.gz	XHDPJYUSXLJISX-RPWUZVMVSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1	ZINC000224261030	569938419	/nfs/dbraw/zinc/93/84/19/569938419.db2.gz	OOFSWQCQPOVUFN-AREMUKBSSA-N	0	0	487.600	5.001	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C	ZINC000224287186	569939397	/nfs/dbraw/zinc/93/93/97/569939397.db2.gz	QGKVLXLVJCSINW-RPBOFIJWSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C	ZINC000224287216	569939407	/nfs/dbraw/zinc/93/94/07/569939407.db2.gz	QGKVLXLVJCSINW-LOSJGSFVSA-N	0	0	470.554	6.044	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224345853	569941368	/nfs/dbraw/zinc/94/13/68/569941368.db2.gz	VEWFVZBNHQEIMK-DQEYMECFSA-N	0	0	469.570	5.520	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224345899	569941372	/nfs/dbraw/zinc/94/13/72/569941372.db2.gz	VEWFVZBNHQEIMK-RPBOFIJWSA-N	0	0	469.570	5.520	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224345784	569941378	/nfs/dbraw/zinc/94/13/78/569941378.db2.gz	KTHDXBZXYUHAHS-JWQCQUIFSA-N	0	0	469.570	5.520	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224354581	569941680	/nfs/dbraw/zinc/94/16/80/569941680.db2.gz	ANQAHXJPDVQWOH-DQEYMECFSA-N	0	0	470.554	5.989	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224354818	569941684	/nfs/dbraw/zinc/94/16/84/569941684.db2.gz	ZNRRVLOPLLMZQZ-RPBOFIJWSA-N	0	0	470.554	5.989	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224378224	569942521	/nfs/dbraw/zinc/94/25/21/569942521.db2.gz	KSSRULBACFGCLS-CLJLJLNGSA-N	0	0	483.597	6.081	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224380484	569942641	/nfs/dbraw/zinc/94/26/41/569942641.db2.gz	MMOKTWKZURPYQM-CLJLJLNGSA-N	0	0	484.581	6.550	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224387011	569942872	/nfs/dbraw/zinc/94/28/72/569942872.db2.gz	AECILSYTIXBVES-IZZNHLLZSA-N	0	0	484.581	6.550	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224386871	569942887	/nfs/dbraw/zinc/94/28/87/569942887.db2.gz	CPBDHFXDHFVSQH-CLJLJLNGSA-N	0	0	484.581	6.550	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224411986	569943811	/nfs/dbraw/zinc/94/38/11/569943811.db2.gz	XJNYBLAIYLFYDM-PKTZIBPZSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224418270	569943967	/nfs/dbraw/zinc/94/39/67/569943967.db2.gz	LUEFCOOXTQFHSQ-DHIUTWEWSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224418320	569943980	/nfs/dbraw/zinc/94/39/80/569943980.db2.gz	LUEFCOOXTQFHSQ-PKTZIBPZSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1	ZINC000224442778	569944681	/nfs/dbraw/zinc/94/46/81/569944681.db2.gz	WKBCHQSYNMXXBG-DHIUTWEWSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1	ZINC000224443016	569944684	/nfs/dbraw/zinc/94/46/84/569944684.db2.gz	JJUVPWRYAYPPTO-PKTZIBPZSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1	ZINC000224442910	569944702	/nfs/dbraw/zinc/94/47/02/569944702.db2.gz	WKBCHQSYNMXXBG-GOTSBHOMSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224445320	569944749	/nfs/dbraw/zinc/94/47/49/569944749.db2.gz	KJSMDVGYDWXHIT-DHIUTWEWSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1	ZINC000224452033	569944963	/nfs/dbraw/zinc/94/49/63/569944963.db2.gz	DOFCKHUAGXIUCN-GOTSBHOMSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	ZINC000224474743	569945595	/nfs/dbraw/zinc/94/55/95/569945595.db2.gz	LEVQLGXVIFPSAQ-GOTSBHOMSA-N	0	0	475.961	5.611	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224545534	569947875	/nfs/dbraw/zinc/94/78/75/569947875.db2.gz	GBVPRKCHWVJARF-RPWUZVMVSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224552657	569948145	/nfs/dbraw/zinc/94/81/45/569948145.db2.gz	KDOHOVVJRCRNMM-RPWUZVMVSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224552488	569948170	/nfs/dbraw/zinc/94/81/70/569948170.db2.gz	ILJUWMAOWNVLKS-BJKOFHAPSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000224588913	569949678	/nfs/dbraw/zinc/94/96/78/569949678.db2.gz	IRWYYUFEHGJYJV-RPWUZVMVSA-N	0	0	472.526	5.436	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224616977	569950966	/nfs/dbraw/zinc/95/09/66/569950966.db2.gz	CDDBMLILDHTNSJ-GOTSBHOMSA-N	0	0	458.499	5.133	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224620370	569951098	/nfs/dbraw/zinc/95/10/98/569951098.db2.gz	JCAIRPQIFBVVFP-RPWUZVMVSA-N	0	0	488.525	5.141	40	5		JKBBRN
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224668229	569952923	/nfs/dbraw/zinc/95/29/23/569952923.db2.gz	QHWIIDFTJYYZCI-QFIPXVFZSA-N	0	0	492.041	5.061	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccco3)cc2)cc1	ZINC000224760271	569956426	/nfs/dbraw/zinc/95/64/26/569956426.db2.gz	OGRJKHNOMWPBGY-XZOQPEGZSA-N	0	0	474.567	5.911	40	5		JKBBRN
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1	ZINC000224760419	569956437	/nfs/dbraw/zinc/95/64/37/569956437.db2.gz	FFSJDUMJACTHHH-RPWUZVMVSA-N	0	0	488.594	6.220	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc[nH]3)cc2)cc1	ZINC000224761800	569956518	/nfs/dbraw/zinc/95/65/18/569956518.db2.gz	LHQTXIFVRSNUAU-PKTZIBPZSA-N	0	0	473.583	5.646	40	5		JKBBRN
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224777192	569957107	/nfs/dbraw/zinc/95/71/07/569957107.db2.gz	APUJHNRXTCVTPC-HXUWFJFHSA-N	0	0	480.392	5.024	40	5		JKBBRN
Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1	ZINC000224819464	569959076	/nfs/dbraw/zinc/95/90/76/569959076.db2.gz	LJSBYSNVJLHCLU-NDEPHWFRSA-N	0	0	499.611	5.145	40	5		JKBBRN
Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1	ZINC000224845731	569960114	/nfs/dbraw/zinc/96/01/14/569960114.db2.gz	HXRWEJWAOSVBGK-MUUNZHRXSA-N	0	0	499.611	5.145	40	5		JKBBRN
CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224848037	569960229	/nfs/dbraw/zinc/96/02/29/569960229.db2.gz	DBIPONLFWWUTRW-HXUWFJFHSA-N	0	0	480.392	5.024	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	ZINC000224879287	569961466	/nfs/dbraw/zinc/96/14/66/569961466.db2.gz	RCKBMUYYZRGYHO-XZOQPEGZSA-N	0	0	491.960	5.317	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F	ZINC000224908503	569962884	/nfs/dbraw/zinc/96/28/84/569962884.db2.gz	HECPNSCMXQBRMT-RPWUZVMVSA-N	0	0	473.533	5.405	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F	ZINC000224908295	569962914	/nfs/dbraw/zinc/96/29/14/569962914.db2.gz	OZCLKDRQCOTHOP-ZEQRLZLVSA-N	0	0	473.533	5.405	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F	ZINC000224916844	569963328	/nfs/dbraw/zinc/96/33/28/569963328.db2.gz	IUJUNNAEZSIYKP-DNQXCXABSA-N	0	0	474.517	5.874	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F	ZINC000224917017	569963343	/nfs/dbraw/zinc/96/33/43/569963343.db2.gz	ZLTASYFHRDQFNC-DNQXCXABSA-N	0	0	474.517	5.874	40	5		JKBBRN
CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224947403	569964480	/nfs/dbraw/zinc/96/44/80/569964480.db2.gz	AYJXPNQDLKAAKN-OAHLLOKOSA-N	0	0	498.432	5.078	40	5		JKBBRN
Cc1c(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cccc1[N+](=O)[O-]	ZINC000224956147	569964998	/nfs/dbraw/zinc/96/49/98/569964998.db2.gz	ZCJNKQJVNSGCLU-UHFFFAOYSA-N	0	0	478.302	6.240	40	5		JKBBRN
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1Cl	ZINC000408602044	569969423	/nfs/dbraw/zinc/96/94/23/569969423.db2.gz	AAQBOHQXCOBFLW-CSKARUKUSA-N	0	0	492.315	5.785	40	5		JKBBRN
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000408602095	569969440	/nfs/dbraw/zinc/96/94/40/569969440.db2.gz	AIRKMMXRGSQFDE-FNORWQNLSA-N	0	0	492.315	5.785	40	5		JKBBRN
CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000408603240	569969868	/nfs/dbraw/zinc/96/98/68/569969868.db2.gz	FGXJKTWTYAKUNM-NRFANRHFSA-N	0	0	483.933	5.001	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	ZINC000408603222	569969943	/nfs/dbraw/zinc/96/99/43/569969943.db2.gz	BNRXTFVLCMTNPN-UHFFFAOYSA-N	0	0	469.925	5.585	40	5		JKBBRN
Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2cc(Br)ccc2O)c(C)c1	ZINC000408603990	569970195	/nfs/dbraw/zinc/97/01/95/569970195.db2.gz	HYWDPMFSYUTVMD-UHFFFAOYSA-N	0	0	498.362	5.474	40	5		JKBBRN
COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408604930	569970571	/nfs/dbraw/zinc/97/05/71/569970571.db2.gz	FVHWBTXZVXWVBX-UHFFFAOYSA-N	0	0	451.281	6.240	40	5		JKBBRN
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)c(C)c1	ZINC000408607656	569971618	/nfs/dbraw/zinc/97/16/18/569971618.db2.gz	UEWUNYYAXFDFMO-UXBLZVDNSA-N	0	0	471.897	5.440	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000408608939	569971985	/nfs/dbraw/zinc/97/19/85/569971985.db2.gz	NCTJXVRSOGLENB-UHFFFAOYSA-N	0	0	491.769	6.601	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	ZINC000408609052	569971998	/nfs/dbraw/zinc/97/19/98/569971998.db2.gz	NQTMFGDPZNWRMD-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	ZINC000225053239	569972168	/nfs/dbraw/zinc/97/21/68/569972168.db2.gz	DXPUGKIXGVHQNC-CLJLJLNGSA-N	0	0	498.612	5.255	40	5		JKBBRN
COc1cc(CNc2ccc(Br)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408611064	569972605	/nfs/dbraw/zinc/97/26/05/569972605.db2.gz	PXLBUMXSPKYXSW-UHFFFAOYSA-N	0	0	488.294	5.987	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1	ZINC000225061213	569972614	/nfs/dbraw/zinc/97/26/14/569972614.db2.gz	KEOPTCXEUACTSF-IZZNHLLZSA-N	0	0	499.596	5.725	40	5		JKBBRN
Cc1cc(Br)ccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000408612554	569973045	/nfs/dbraw/zinc/97/30/45/569973045.db2.gz	SLWXTQSZHBXNMW-UHFFFAOYSA-N	0	0	461.743	6.510	40	5		JKBBRN
CC(C)c1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000408618898	569977030	/nfs/dbraw/zinc/97/70/30/569977030.db2.gz	HYGXMLICIWJHKQ-UHFFFAOYSA-N	0	0	463.715	6.646	40	5		JKBBRN
O=C(Nc1cccc(I)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000408620870	569978076	/nfs/dbraw/zinc/97/80/76/569978076.db2.gz	MPUGNNREHUFYBV-UHFFFAOYSA-N	0	0	468.634	5.365	40	5		JKBBRN
CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1	ZINC000408621577	569978392	/nfs/dbraw/zinc/97/83/92/569978392.db2.gz	OSLWCXJKBCAZDT-UHFFFAOYSA-N	0	0	485.334	5.896	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225161083	569979224	/nfs/dbraw/zinc/97/92/24/569979224.db2.gz	VVYIZVGLJZZYTR-JOCHJYFZSA-N	0	0	471.985	5.047	40	5		JKBBRN
Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000408627057	569980883	/nfs/dbraw/zinc/98/08/83/569980883.db2.gz	XSMJLVTYTZDNES-UHFFFAOYSA-N	0	0	493.463	5.284	40	5		JKBBRN
O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1	ZINC000225229152	569984229	/nfs/dbraw/zinc/98/42/29/569984229.db2.gz	XVMQBNSPFKFESW-NDEPHWFRSA-N	0	0	499.611	5.226	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408638476	569987961	/nfs/dbraw/zinc/98/79/61/569987961.db2.gz	CLVYMEXMSUIUAR-OAHLLOKOSA-N	0	0	496.317	5.141	40	5		JKBBRN
Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1C	ZINC000408641200	569989259	/nfs/dbraw/zinc/98/92/59/569989259.db2.gz	LBUWGZXPNSQEQE-IBGZPJMESA-N	0	0	459.502	5.304	40	5		JKBBRN
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408644865	569991010	/nfs/dbraw/zinc/99/10/10/569991010.db2.gz	TWGQXJGVWOYAAT-MRXNPFEDSA-N	0	0	465.893	5.341	40	5		JKBBRN
O=[N+]([O-])c1ccc(N2N[C@@](Cc3ccccc3)(c3ccc(-c4ccccc4)cc3)NC2=S)cc1	ZINC000225350995	569992154	/nfs/dbraw/zinc/99/21/54/569992154.db2.gz	FAUXLPBYAURBON-MHZLTWQESA-N	0	0	466.566	5.557	40	5		JKBBRN
Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000408672599	570008258	/nfs/dbraw/zinc/00/82/58/570008258.db2.gz	OBESBACZZWCTFO-UHFFFAOYSA-N	0	0	467.481	6.200	40	5		JKBBRN
COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2)cc1	ZINC000408672930	570008449	/nfs/dbraw/zinc/00/84/49/570008449.db2.gz	PJOGQSAWNQDJOY-UHFFFAOYSA-N	0	0	483.480	5.900	40	5		JKBBRN
O=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000408673557	570008726	/nfs/dbraw/zinc/00/87/26/570008726.db2.gz	SYFNMNDUKLDMFR-UHFFFAOYSA-N	0	0	453.454	5.892	40	5		JKBBRN
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225614784	570009798	/nfs/dbraw/zinc/00/97/98/570009798.db2.gz	JEAMLFBYRAENCM-HNNXBMFYSA-N	0	0	498.432	5.077	40	5		JKBBRN
CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@@H]2C1	ZINC000408675475	570010285	/nfs/dbraw/zinc/01/02/85/570010285.db2.gz	AWGNSTPVQPUERU-JWQCQUIFSA-N	0	0	481.508	5.360	40	5		JKBBRN
O=C(Nc1cccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000408676556	570010675	/nfs/dbraw/zinc/01/06/75/570010675.db2.gz	DJISDTTZIXSDTE-WKEDTZOBSA-N	0	0	491.503	5.296	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Br)cc2)cc1	ZINC000408682136	570012765	/nfs/dbraw/zinc/01/27/65/570012765.db2.gz	IZFIPMDUVUZPGX-QFIPXVFZSA-N	0	0	488.359	5.454	40	5		JKBBRN
CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OCC	ZINC000225677161	570014132	/nfs/dbraw/zinc/01/41/32/570014132.db2.gz	JTVNAFMSDITEFY-UHFFFAOYSA-N	0	0	454.523	5.401	40	5		JKBBRN
CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1O[C@H](C)CC	ZINC000225677198	570014138	/nfs/dbraw/zinc/01/41/38/570014138.db2.gz	ULBRXNPXSRHXNI-QGZVFWFLSA-N	0	0	454.523	5.399	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)N1[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000408686772	570014193	/nfs/dbraw/zinc/01/41/93/570014193.db2.gz	SUAMGBQQIMPRGO-FKCWEYQYSA-N	0	0	491.503	5.296	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(Cl)c2)cc1	ZINC000408689429	570014870	/nfs/dbraw/zinc/01/48/70/570014870.db2.gz	YDJDHPRCBWLHEI-JOCHJYFZSA-N	0	0	478.353	5.998	40	5		JKBBRN
Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)cc1Cl	ZINC000408695073	570017534	/nfs/dbraw/zinc/01/75/34/570017534.db2.gz	ONTUZZWFJODEDZ-UHFFFAOYSA-N	0	0	451.845	5.196	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225726140	570018175	/nfs/dbraw/zinc/01/81/75/570018175.db2.gz	LBGZDRSCKVKESQ-FOIQADDNSA-N	0	0	480.392	5.166	40	5		JKBBRN
Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)c1C	ZINC000408696126	570018479	/nfs/dbraw/zinc/01/84/79/570018479.db2.gz	WNONPMZHPQZTSR-UHFFFAOYSA-N	0	0	492.333	5.474	40	5		JKBBRN
CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC	ZINC000225757009	570020324	/nfs/dbraw/zinc/02/03/24/570020324.db2.gz	OXUDMHLNIVBUPI-UHFFFAOYSA-N	0	0	454.523	5.401	40	5		JKBBRN
CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC	ZINC000225756904	570020330	/nfs/dbraw/zinc/02/03/30/570020330.db2.gz	AMZARUXAXVRSJV-QGZVFWFLSA-N	0	0	454.523	5.399	40	5		JKBBRN
CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OCC	ZINC000225757188	570020464	/nfs/dbraw/zinc/02/04/64/570020464.db2.gz	IMBHHJWNCORBFT-UHFFFAOYSA-N	0	0	468.550	5.791	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1	ZINC000408704012	570023665	/nfs/dbraw/zinc/02/36/65/570023665.db2.gz	IIANEGIRHUQSJG-QHCPKHFHSA-N	0	0	467.934	5.275	40	5		JKBBRN
COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccccc2)cc1	ZINC000408722386	570027316	/nfs/dbraw/zinc/02/73/16/570027316.db2.gz	IBAADQHGCYPNEL-UHFFFAOYSA-N	0	0	476.470	5.554	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1	ZINC000408728144	570028462	/nfs/dbraw/zinc/02/84/62/570028462.db2.gz	WDOKHXGLAZCXAR-MTJSOVHGSA-N	0	0	466.902	6.068	40	5		JKBBRN
CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000408729751	570028828	/nfs/dbraw/zinc/02/88/28/570028828.db2.gz	CJTPXDLICMGYNC-QFIPXVFZSA-N	0	0	497.960	5.781	40	5		JKBBRN
CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	ZINC000408730843	570029115	/nfs/dbraw/zinc/02/91/15/570029115.db2.gz	JINDGOBUQFBHEV-QHCPKHFHSA-N	0	0	499.589	5.115	40	5		JKBBRN
CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	ZINC000408730842	570029119	/nfs/dbraw/zinc/02/91/19/570029119.db2.gz	JINDGOBUQFBHEV-HSZRJFAPSA-N	0	0	499.589	5.115	40	5		JKBBRN
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000408733547	570029757	/nfs/dbraw/zinc/02/97/57/570029757.db2.gz	ZCNNIJJTRFUIQU-QFIPXVFZSA-N	0	0	481.892	5.616	40	5		JKBBRN
O=c1[nH]c(-c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)nc2sc3c(c21)CCCC3	ZINC000408735126	570030088	/nfs/dbraw/zinc/03/00/88/570030088.db2.gz	OHBFSRSFHQOSDR-UHFFFAOYSA-N	0	0	483.549	6.583	40	5		JKBBRN
Cc1cccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1	ZINC000408736955	570030642	/nfs/dbraw/zinc/03/06/42/570030642.db2.gz	KDVXMAOULGQLEU-HHHXNRCGSA-N	0	0	493.563	5.401	40	5		JKBBRN
Cc1cccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1	ZINC000408736956	570030688	/nfs/dbraw/zinc/03/06/88/570030688.db2.gz	KDVXMAOULGQLEU-MHZLTWQESA-N	0	0	493.563	5.401	40	5		JKBBRN
Cc1cc(C)c(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1	ZINC000408749871	570033791	/nfs/dbraw/zinc/03/37/91/570033791.db2.gz	JSEWDGDRNWMSOA-UHFFFAOYSA-N	0	0	489.578	6.223	40	5		JKBBRN
O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000408751001	570034210	/nfs/dbraw/zinc/03/42/10/570034210.db2.gz	VFCVHIPYESGCQO-IRXDYDNUSA-N	0	0	453.545	5.176	40	5		JKBBRN
CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12	ZINC000408752772	570034783	/nfs/dbraw/zinc/03/47/83/570034783.db2.gz	GTSFDIVUDZWNDA-BDELYBFDSA-N	0	0	486.527	5.833	40	5		JKBBRN
Cc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408755156	570035302	/nfs/dbraw/zinc/03/53/02/570035302.db2.gz	BTHDAVNSJOIPSM-UHFFFAOYSA-N	0	0	457.873	6.254	40	5		JKBBRN
Cc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408755316	570035364	/nfs/dbraw/zinc/03/53/64/570035364.db2.gz	DIKHRRCJOFHJMU-UHFFFAOYSA-N	0	0	457.873	6.254	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1	ZINC000408755283	570035375	/nfs/dbraw/zinc/03/53/75/570035375.db2.gz	CVKDYYVNYSZIJL-UHFFFAOYSA-N	0	0	459.845	5.651	40	5		JKBBRN
Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1	ZINC000408756973	570035672	/nfs/dbraw/zinc/03/56/72/570035672.db2.gz	KYHIGCKAXLPDSW-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
CCCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)c(C)c2)C1=O	ZINC000408757316	570035756	/nfs/dbraw/zinc/03/57/56/570035756.db2.gz	LZBOVJZSAGSCCN-UHFFFAOYSA-N	0	0	453.292	5.492	40	5		JKBBRN
Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1C	ZINC000408757251	570035871	/nfs/dbraw/zinc/03/58/71/570035871.db2.gz	LLQNFZKWQWRVBA-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
Cc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1	ZINC000408757908	570036050	/nfs/dbraw/zinc/03/60/50/570036050.db2.gz	SBSHODVZFOGAHE-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)C1c3ccccc3C2c2ccccc21	ZINC000408764148	570037569	/nfs/dbraw/zinc/03/75/69/570037569.db2.gz	SCACHMPNXOLOAL-PAIGMYNKSA-N	0	0	472.500	5.658	40	5		JKBBRN
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)C1c3ccccc3C2c2ccccc21	ZINC000408764155	570037615	/nfs/dbraw/zinc/03/76/15/570037615.db2.gz	SCACHMPNXOLOAL-SALAOISXSA-N	0	0	472.500	5.658	40	5		JKBBRN
Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000226767692	570038418	/nfs/dbraw/zinc/03/84/18/570038418.db2.gz	SSXJOOODLDKLBL-UHFFFAOYSA-N	0	0	455.264	5.061	40	5		JKBBRN
Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000226769293	570038491	/nfs/dbraw/zinc/03/84/91/570038491.db2.gz	HOFUNVPSJNWBID-UHFFFAOYSA-N	0	0	453.248	5.381	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)S2)cc1	ZINC000408769143	570038590	/nfs/dbraw/zinc/03/85/90/570038590.db2.gz	OVDXOXGOLDQOGN-GJFKPFFXSA-N	0	0	461.543	5.336	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1	ZINC000408771332	570039019	/nfs/dbraw/zinc/03/90/19/570039019.db2.gz	FNWPQJOGKHFMDN-GJFKPFFXSA-N	0	0	461.543	5.336	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])S2)cc1	ZINC000408778828	570040959	/nfs/dbraw/zinc/04/09/59/570040959.db2.gz	MAELRMGVLDQCFH-ZSJKCPIUSA-N	0	0	491.569	5.344	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1	ZINC000408781847	570041854	/nfs/dbraw/zinc/04/18/54/570041854.db2.gz	FHRLMGWRUVULCU-FUFNRSNVSA-N	0	0	498.608	6.068	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1	ZINC000408781849	570041874	/nfs/dbraw/zinc/04/18/74/570041874.db2.gz	FHRLMGWRUVULCU-PRLWALMFSA-N	0	0	498.608	6.068	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)S2)cc1	ZINC000408782952	570042252	/nfs/dbraw/zinc/04/22/52/570042252.db2.gz	IZQOZRBISQXJRJ-AFHVAHMMSA-N	0	0	455.923	5.670	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1	ZINC000408791051	570043933	/nfs/dbraw/zinc/04/39/33/570043933.db2.gz	VHOMFMBDZDTMRJ-RISWYLRJSA-N	0	0	491.569	5.344	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1	ZINC000408791050	570043957	/nfs/dbraw/zinc/04/39/57/570043957.db2.gz	VHOMFMBDZDTMRJ-LMSRTUJASA-N	0	0	491.569	5.344	40	5		JKBBRN
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1Nc1ccccc1	ZINC000408801656	570045891	/nfs/dbraw/zinc/04/58/91/570045891.db2.gz	WRFQPQSYHMTHNS-JGHMOANSSA-N	0	0	488.589	6.909	40	5		JKBBRN
COc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408804418	570046934	/nfs/dbraw/zinc/04/69/34/570046934.db2.gz	FTTNGMKRYMWRIT-UHFFFAOYSA-N	0	0	480.497	5.084	40	5		JKBBRN
CCOc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408814435	570049985	/nfs/dbraw/zinc/04/99/85/570049985.db2.gz	RJIVZZRKHCYSAW-UHFFFAOYSA-N	0	0	494.524	5.475	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408815110	570050222	/nfs/dbraw/zinc/05/02/22/570050222.db2.gz	ULEYHJHCJZYBCB-HAHDFKILSA-N	0	0	476.510	5.813	40	5		JKBBRN
COc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1	ZINC000408823537	570052239	/nfs/dbraw/zinc/05/22/39/570052239.db2.gz	DWRJYLLZPAGZFN-UHFFFAOYSA-N	0	0	465.918	6.300	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1cccc(F)c1	ZINC000408824526	570052320	/nfs/dbraw/zinc/05/23/20/570052320.db2.gz	IAUWYQPKUNCHPJ-UHFFFAOYSA-N	0	0	453.882	6.430	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(Br)cc1	ZINC000408824132	570052338	/nfs/dbraw/zinc/05/23/38/570052338.db2.gz	HCSAWUWTEXQXFZ-UHFFFAOYSA-N	0	0	480.343	6.400	40	5		JKBBRN
COc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408828801	570052505	/nfs/dbraw/zinc/05/25/05/570052505.db2.gz	WBTINODNWFYKKS-UHFFFAOYSA-N	0	0	465.918	6.300	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408832116	570052760	/nfs/dbraw/zinc/05/27/60/570052760.db2.gz	PYBDJFSOHDDRDX-UHFFFAOYSA-N	0	0	460.471	5.854	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000408836378	570053138	/nfs/dbraw/zinc/05/31/38/570053138.db2.gz	QRYSQHYTHYNBTC-UHFFFAOYSA-N	0	0	474.498	6.163	40	5		JKBBRN
COc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(C)cc2C)s1	ZINC000408837201	570053287	/nfs/dbraw/zinc/05/32/87/570053287.db2.gz	ZXNRQHJHCFUBMQ-UHFFFAOYSA-N	0	0	459.527	6.263	40	5		JKBBRN
CCOc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408839579	570053516	/nfs/dbraw/zinc/05/35/16/570053516.db2.gz	UNICSFSIHWSUFE-HSGJKIJMSA-N	0	0	484.464	5.222	40	5		JKBBRN
CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000408843088	570053980	/nfs/dbraw/zinc/05/39/80/570053980.db2.gz	LOBSUPODJUVYIU-DEDYPNTBSA-N	0	0	492.871	5.211	40	5		JKBBRN
O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1c1ccccc1	ZINC000408903228	570069808	/nfs/dbraw/zinc/06/98/08/570069808.db2.gz	WAJMFPITVSWBQC-PCLIKHOPSA-N	0	0	482.517	6.568	40	5		JKBBRN
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408907245	570071107	/nfs/dbraw/zinc/07/11/07/570071107.db2.gz	NKABBYQITJXJSF-VGOFMYFVSA-N	0	0	471.922	5.009	40	5		JKBBRN
O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408906913	570071134	/nfs/dbraw/zinc/07/11/34/570071134.db2.gz	KLMIVLYLBFSEET-UHFFFAOYSA-N	0	0	481.917	5.455	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408917233	570075773	/nfs/dbraw/zinc/07/57/73/570075773.db2.gz	PMXKXENDISMDOL-WGOQTCKBSA-N	0	0	496.544	6.564	40	5		JKBBRN
Cc1ccc2[nH]c(Sc3ccc(C=C4SC(=O)N(Cc5cccc([N+](=O)[O-])c5)C4=O)o3)nc2c1	ZINC000408917900	570076010	/nfs/dbraw/zinc/07/60/10/570076010.db2.gz	CMMQGYGFJRIRFZ-YBFXNURJSA-N	0	0	492.538	5.760	40	5		JKBBRN
O=C(NCCSCc1ccc(Cl)c(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408920594	570076898	/nfs/dbraw/zinc/07/68/98/570076898.db2.gz	JTHPOTMQSMHTAF-KGENOOAVSA-N	0	0	487.408	6.492	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000408923448	570077868	/nfs/dbraw/zinc/07/78/68/570077868.db2.gz	XYGXEQZFIQOIHB-KPKJPENVSA-N	0	0	491.447	5.066	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1	ZINC000408925113	570078304	/nfs/dbraw/zinc/07/83/04/570078304.db2.gz	MIYKKTYRMBOCMX-LFIBNONCSA-N	0	0	473.510	5.201	40	5		JKBBRN
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408973310	570089122	/nfs/dbraw/zinc/08/91/22/570089122.db2.gz	AMUHLASSPRZZOF-UHFFFAOYSA-N	0	0	469.426	6.151	40	5		JKBBRN
C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408973865	570089323	/nfs/dbraw/zinc/08/93/23/570089323.db2.gz	CECJHVYLMHYMMU-INIZCTEOSA-N	0	0	472.577	6.027	40	5		JKBBRN
CCOc1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408975209	570089540	/nfs/dbraw/zinc/08/95/40/570089540.db2.gz	KJXGEFOSJMFKJI-UHFFFAOYSA-N	0	0	476.565	6.087	40	5		JKBBRN
O=[N+]([O-])c1cccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)c1	ZINC000408975218	570089543	/nfs/dbraw/zinc/08/95/43/570089543.db2.gz	KOBFYFHCCZKPBV-UHFFFAOYSA-N	0	0	477.509	5.597	40	5		JKBBRN
CC(C)(C)c1ccc(OC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1	ZINC000408975193	570089569	/nfs/dbraw/zinc/08/95/69/570089569.db2.gz	IZVZIXAZRYLCEX-UHFFFAOYSA-N	0	0	458.521	6.396	40	5		JKBBRN
O=C(Nc1ccc2ccccc2c1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408975099	570089577	/nfs/dbraw/zinc/08/95/77/570089577.db2.gz	KCDPXCRCCAGTDF-UHFFFAOYSA-N	0	0	451.489	6.285	40	5		JKBBRN
O=C(Nc1ccc(I)cc1)c1ccc2sc3nc4ccccc4nc3c2c1	ZINC000408977162	570090088	/nfs/dbraw/zinc/09/00/88/570090088.db2.gz	VQRYGQJWYNWHCL-UHFFFAOYSA-N	0	0	481.318	5.855	40	5		JKBBRN
CC(C)(C)c1ccc(OC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408977502	570090231	/nfs/dbraw/zinc/09/02/31/570090231.db2.gz	VVTKQSKTQPYVDZ-UHFFFAOYSA-N	0	0	458.521	6.396	40	5		JKBBRN
O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1	ZINC000408977749	570090267	/nfs/dbraw/zinc/09/02/67/570090267.db2.gz	XJBWKXDKOMIIBL-HXUWFJFHSA-N	0	0	455.521	5.509	40	5		JKBBRN
CCOc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408987671	570092951	/nfs/dbraw/zinc/09/29/51/570092951.db2.gz	BNPLQFOEUYCMFH-UHFFFAOYSA-N	0	0	487.899	6.344	40	5		JKBBRN
O=c1[nH]c(-c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3	ZINC000408988083	570093111	/nfs/dbraw/zinc/09/31/11/570093111.db2.gz	CMDJTODFRYZNLL-UHFFFAOYSA-N	0	0	450.545	5.787	40	5		JKBBRN
CN(C)c1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000408988412	570093267	/nfs/dbraw/zinc/09/32/67/570093267.db2.gz	DJQVKZCLZXJJIU-UHFFFAOYSA-N	0	0	486.915	6.012	40	5		JKBBRN
Cc1sc2nc(-c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C	ZINC000408988866	570093405	/nfs/dbraw/zinc/09/34/05/570093405.db2.gz	GETORVOLOIGCCJ-UHFFFAOYSA-N	0	0	466.544	5.320	40	5		JKBBRN
O=C(CSc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1[N+](=O)[O-])Nc1ccccc1	ZINC000408991278	570094102	/nfs/dbraw/zinc/09/41/02/570094102.db2.gz	NGLNZJWKNYPACZ-UHFFFAOYSA-N	0	0	492.582	5.582	40	5		JKBBRN
O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)cc1)c1ccccc1	ZINC000408992533	570094519	/nfs/dbraw/zinc/09/45/19/570094519.db2.gz	SIFVRFBDZYZDFO-KZQOYIJHSA-N	0	0	462.505	6.285	40	5		JKBBRN
CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1ccccc1OCC	ZINC000408993324	570094687	/nfs/dbraw/zinc/09/46/87/570094687.db2.gz	WEERYAQGPOBALV-QFIPXVFZSA-N	0	0	465.531	5.289	40	5		JKBBRN
O=c1[nH]c(-c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCC3	ZINC000408993888	570094974	/nfs/dbraw/zinc/09/49/74/570094974.db2.gz	XUGMKSYJYFPMSB-UHFFFAOYSA-N	0	0	492.607	6.612	40	5		JKBBRN
COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@@H]21	ZINC000408994306	570094977	/nfs/dbraw/zinc/09/49/77/570094977.db2.gz	ZEJZXIFCVYCIFO-VJBMBRPKSA-N	0	0	451.320	5.837	40	5		JKBBRN
Cc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408994917	570095246	/nfs/dbraw/zinc/09/52/46/570095246.db2.gz	HUYDUSZQOMOQAR-UHFFFAOYSA-N	0	0	457.873	6.254	40	5		JKBBRN
Cc1cccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)c1C	ZINC000408995271	570095275	/nfs/dbraw/zinc/09/52/75/570095275.db2.gz	LPVFEORZRNYXKI-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	ZINC000408995520	570095389	/nfs/dbraw/zinc/09/53/89/570095389.db2.gz	JURVSWICRFENIT-XNFLFYSQSA-N	0	0	482.967	7.298	40	5		JKBBRN
CCN1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408996146	570095443	/nfs/dbraw/zinc/09/54/43/570095443.db2.gz	OHKDBHPNNAYBDD-UHFFFAOYSA-N	0	0	468.307	5.487	40	5		JKBBRN
C[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1	ZINC000408999470	570096006	/nfs/dbraw/zinc/09/60/06/570096006.db2.gz	CYXMOWBWKHEYQE-KWTBFXGESA-N	0	0	499.611	5.149	40	5		JKBBRN
C[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1	ZINC000408999471	570096038	/nfs/dbraw/zinc/09/60/38/570096038.db2.gz	CYXMOWBWKHEYQE-PUUVEUEGSA-N	0	0	499.611	5.149	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc21	ZINC000409002224	570096565	/nfs/dbraw/zinc/09/65/65/570096565.db2.gz	ZGSLOQKRVWUGFW-UHFFFAOYSA-N	0	0	493.906	7.099	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CCc1ccccc1	ZINC000409007779	570098474	/nfs/dbraw/zinc/09/84/74/570098474.db2.gz	RIXVCWDYDADLLH-HAHDFKILSA-N	0	0	494.956	6.106	40	5		JKBBRN
CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O	ZINC000409009327	570099085	/nfs/dbraw/zinc/09/90/85/570099085.db2.gz	DGWPTFXEURSRRP-MQHRVFIMSA-N	0	0	451.298	5.452	40	5		JKBBRN
CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409013456	570100301	/nfs/dbraw/zinc/10/03/01/570100301.db2.gz	NJWHNSGPDUSKPN-MDBUFAAASA-N	0	0	491.363	5.771	40	5		JKBBRN
CC(C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O	ZINC000409016344	570101344	/nfs/dbraw/zinc/10/13/44/570101344.db2.gz	RLJZKWHCXMAKEM-VCHYOVAHSA-N	0	0	477.336	5.381	40	5		JKBBRN
Cc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)c(C)c1	ZINC000409016907	570101437	/nfs/dbraw/zinc/10/14/37/570101437.db2.gz	BEQYKWKKTGUEOJ-UHFFFAOYSA-N	0	0	473.532	7.346	40	5		JKBBRN
C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1	ZINC000409017688	570101843	/nfs/dbraw/zinc/10/18/43/570101843.db2.gz	STLNRVZEMYTEJK-JTQLQIEISA-N	0	0	469.306	5.155	40	5		JKBBRN
CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000253596852	570104156	/nfs/dbraw/zinc/10/41/56/570104156.db2.gz	WMMXFSVJARKOOK-DLQYFKQDSA-N	0	0	492.531	5.310	40	5		JKBBRN
O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000409050938	570109922	/nfs/dbraw/zinc/10/99/22/570109922.db2.gz	DVMYVKSFIFTRAT-UHFFFAOYSA-N	0	0	452.473	5.607	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1	ZINC000409051212	570109962	/nfs/dbraw/zinc/10/99/62/570109962.db2.gz	AHTIASLMUPDVPT-QRVIBDJDSA-N	0	0	494.956	6.372	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CCOc1ccc(F)cc1	ZINC000409055149	570111353	/nfs/dbraw/zinc/11/13/53/570111353.db2.gz	WOMPWRSLMPCALE-MOSHPQCFSA-N	0	0	454.435	5.109	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CCOc1ccccc1	ZINC000409055297	570111488	/nfs/dbraw/zinc/11/14/88/570111488.db2.gz	YJORSCCDPCBRGP-KQWNVCNZSA-N	0	0	476.510	5.289	40	5		JKBBRN
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000409055449	570111498	/nfs/dbraw/zinc/11/14/98/570111498.db2.gz	YSFGDHAMZXRKRM-UHFFFAOYSA-N	0	0	456.713	5.046	40	5		JKBBRN
Cc1ccc(NC(=O)c2c(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc3c2CCCC3)cc1	ZINC000409057190	570112281	/nfs/dbraw/zinc/11/22/81/570112281.db2.gz	UUFDIXZRWIPWRY-UHFFFAOYSA-N	0	0	465.531	5.113	40	5		JKBBRN
COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409062375	570114942	/nfs/dbraw/zinc/11/49/42/570114942.db2.gz	SQXAZEVZGCQAEI-XKZIYDEJSA-N	0	0	496.928	6.077	40	5		JKBBRN
O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000409063199	570115341	/nfs/dbraw/zinc/11/53/41/570115341.db2.gz	INAORRMGBUHQMR-BKUYFWCQSA-N	0	0	465.918	5.492	40	5		JKBBRN
CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O	ZINC000409069165	570117559	/nfs/dbraw/zinc/11/75/59/570117559.db2.gz	LPMPAZBCKRZLST-UNOMPAQXSA-N	0	0	491.363	5.773	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1	ZINC000409084448	570122552	/nfs/dbraw/zinc/12/25/52/570122552.db2.gz	CUZLTUFYGKYOIM-UHFFFAOYSA-N	0	0	460.412	6.152	40	5		JKBBRN
Cc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1Cl	ZINC000409084877	570122828	/nfs/dbraw/zinc/12/28/28/570122828.db2.gz	QUJJNUISMZIHAB-UHFFFAOYSA-N	0	0	493.950	7.691	40	5		JKBBRN
O=C(Nc1ccccc1Cl)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409085926	570123148	/nfs/dbraw/zinc/12/31/48/570123148.db2.gz	XKLQVTLPJARZCP-UHFFFAOYSA-N	0	0	479.923	7.383	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000409090302	570124566	/nfs/dbraw/zinc/12/45/66/570124566.db2.gz	ORFHDSSGKRCLQB-BKUYFWCQSA-N	0	0	482.970	6.636	40	5		JKBBRN
CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409104376	570129622	/nfs/dbraw/zinc/12/96/22/570129622.db2.gz	YLZKZSVCVJVKTC-CXUHLZMHSA-N	0	0	453.303	5.537	40	5		JKBBRN
CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)c(=O)c2c1C	ZINC000409109497	570131636	/nfs/dbraw/zinc/13/16/36/570131636.db2.gz	GDRYHVJZMDDYGU-UHFFFAOYSA-N	0	0	451.573	5.909	40	5		JKBBRN
CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000409109828	570131700	/nfs/dbraw/zinc/13/17/00/570131700.db2.gz	MDSFQTWGDJPECK-JCMHNJIXSA-N	0	0	493.357	6.234	40	5		JKBBRN
Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	ZINC000409111163	570132153	/nfs/dbraw/zinc/13/21/53/570132153.db2.gz	BIMBSZNURPJYAI-UHFFFAOYSA-N	0	0	461.743	6.510	40	5		JKBBRN
O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409111435	570132293	/nfs/dbraw/zinc/13/22/93/570132293.db2.gz	CHFNRXCGNRKFKF-UNOMPAQXSA-N	0	0	451.276	5.429	40	5		JKBBRN
CCCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21	ZINC000409112582	570132651	/nfs/dbraw/zinc/13/26/51/570132651.db2.gz	FABKQNVKUKHQPT-STZFKDTASA-N	0	0	493.357	6.234	40	5		JKBBRN
CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccccc3)c(=O)c2c1C	ZINC000409112478	570132658	/nfs/dbraw/zinc/13/26/58/570132658.db2.gz	GSTMQXBONROVFG-UHFFFAOYSA-N	0	0	451.573	5.909	40	5		JKBBRN
COc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409114579	570133490	/nfs/dbraw/zinc/13/34/90/570133490.db2.gz	ILBCFBPUQUMUTP-UHFFFAOYSA-N	0	0	471.351	6.174	40	5		JKBBRN
COc1cc(CNc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409116499	570134232	/nfs/dbraw/zinc/13/42/32/570134232.db2.gz	MCCFJXUMXQEWHO-UHFFFAOYSA-N	0	0	490.297	5.399	40	5		JKBBRN
CCOc1cc(CNc2ccc(OC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409117279	570134493	/nfs/dbraw/zinc/13/44/93/570134493.db2.gz	QTDMCRFFPPOLBH-UHFFFAOYSA-N	0	0	487.350	5.956	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccccc3)cc2Br)cc1	ZINC000409117906	570134706	/nfs/dbraw/zinc/13/47/06/570134706.db2.gz	MCCCYLOMUCCKPY-UHFFFAOYSA-N	0	0	492.167	6.311	40	5		JKBBRN
COc1cccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1	ZINC000409118342	570134839	/nfs/dbraw/zinc/13/48/39/570134839.db2.gz	PDYXFYOVZZWALR-NDEPHWFRSA-N	0	0	479.536	5.965	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1	ZINC000409118641	570134964	/nfs/dbraw/zinc/13/49/64/570134964.db2.gz	QDPOLUPVIJRJFN-HHHXNRCGSA-N	0	0	483.955	6.610	40	5		JKBBRN
Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409119999	570135370	/nfs/dbraw/zinc/13/53/70/570135370.db2.gz	RWHAIXKZZSFHTH-UHFFFAOYSA-N	0	0	451.737	7.055	40	5		JKBBRN
COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409121105	570135772	/nfs/dbraw/zinc/13/57/72/570135772.db2.gz	VZFSBTUKNXSKDC-UHFFFAOYSA-N	0	0	456.498	6.587	40	5		JKBBRN
CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1	ZINC000409124871	570137488	/nfs/dbraw/zinc/13/74/88/570137488.db2.gz	LCSWSQSZZLTMEZ-UHFFFAOYSA-N	0	0	480.575	5.036	40	5		JKBBRN
CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1	ZINC000409125706	570137866	/nfs/dbraw/zinc/13/78/66/570137866.db2.gz	JXWGDBZMNJOOLJ-UHFFFAOYSA-N	0	0	485.875	5.276	40	5		JKBBRN
CCn1c(SCC(=O)Nc2ccc(Cl)c(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1	ZINC000409130979	570140104	/nfs/dbraw/zinc/14/01/04/570140104.db2.gz	MKERMAJUNRJEGA-UHFFFAOYSA-N	0	0	496.774	5.020	40	5		JKBBRN
Cc1cccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1	ZINC000409131457	570140390	/nfs/dbraw/zinc/14/03/90/570140390.db2.gz	JCBAAKRLXHOWMA-NDEPHWFRSA-N	0	0	463.537	6.265	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1	ZINC000409138925	570143646	/nfs/dbraw/zinc/14/36/46/570143646.db2.gz	JYMZNUWHXRBBDT-PXLXIMEGSA-N	0	0	464.499	5.533	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1	ZINC000409139991	570144064	/nfs/dbraw/zinc/14/40/64/570144064.db2.gz	CHSVKEVFUKTEOX-MHZLTWQESA-N	0	0	483.955	6.610	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1	ZINC000409139986	570144142	/nfs/dbraw/zinc/14/41/42/570144142.db2.gz	CHSVKEVFUKTEOX-HHHXNRCGSA-N	0	0	483.955	6.610	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)NCCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000409144403	570146116	/nfs/dbraw/zinc/14/61/16/570146116.db2.gz	NYVSXNKMKTZEKX-SZXQPVLSSA-N	0	0	491.547	5.747	40	5		JKBBRN
O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CC1CCCCC1	ZINC000409148203	570147989	/nfs/dbraw/zinc/14/79/89/570147989.db2.gz	XRLFNFXDELAMSU-ZVHZXABRSA-N	0	0	475.570	6.214	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409151283	570149261	/nfs/dbraw/zinc/14/92/61/570149261.db2.gz	FXSOXGQAZKVNDC-RGVLZGJSSA-N	0	0	499.342	6.162	40	5		JKBBRN
CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(C)cc1	ZINC000409151498	570149262	/nfs/dbraw/zinc/14/92/62/570149262.db2.gz	HJKXNEDCWQVJSX-UHFFFAOYSA-N	0	0	480.575	5.036	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409155067	570150333	/nfs/dbraw/zinc/15/03/33/570150333.db2.gz	LKIUIGSIVHGLGX-CIAFOILYSA-N	0	0	491.525	5.455	40	5		JKBBRN
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O	ZINC000409155471	570150459	/nfs/dbraw/zinc/15/04/59/570150459.db2.gz	QATALTAGQFURLH-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1C	ZINC000409155651	570150474	/nfs/dbraw/zinc/15/04/74/570150474.db2.gz	QRSCDYVBDZXVGO-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1	ZINC000409156071	570150594	/nfs/dbraw/zinc/15/05/94/570150594.db2.gz	KHONKBNERXPRAS-UUYOSTAYSA-N	0	0	491.525	5.455	40	5		JKBBRN
Cc1ccccc1OCc1nn(CC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(=S)o1	ZINC000409155732	570150597	/nfs/dbraw/zinc/15/05/97/570150597.db2.gz	MJJLUTLVWWALPI-UHFFFAOYSA-N	0	0	497.558	5.072	40	5		JKBBRN
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)Oc1ccccc1Cl	ZINC000409155758	570150600	/nfs/dbraw/zinc/15/06/00/570150600.db2.gz	MQDPYJDJWAEVGA-AWEZNQCLSA-N	0	0	475.958	5.039	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(Cl)cc1	ZINC000409155887	570150617	/nfs/dbraw/zinc/15/06/17/570150617.db2.gz	RIMXQOBGTDFEKQ-YBFXNURJSA-N	0	0	483.889	5.183	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1cccc(Cl)c1	ZINC000409157319	570150932	/nfs/dbraw/zinc/15/09/32/570150932.db2.gz	MEDNLUJSEZJSOK-YBFXNURJSA-N	0	0	483.889	5.183	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1C	ZINC000409162656	570152412	/nfs/dbraw/zinc/15/24/12/570152412.db2.gz	GSMZWZJDXZXEAF-MFKUBSTISA-N	0	0	466.562	6.285	40	5		JKBBRN
COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1[N+](=O)[O-]	ZINC000409169239	570154328	/nfs/dbraw/zinc/15/43/28/570154328.db2.gz	VZYMRMNIMVZGNA-NDEPHWFRSA-N	0	0	479.536	6.278	40	5		JKBBRN
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	ZINC000409171197	570154923	/nfs/dbraw/zinc/15/49/23/570154923.db2.gz	YRQTZVRSRJLTLH-UDWIEESQSA-N	0	0	477.498	5.147	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Cl)cc1	ZINC000409171270	570155006	/nfs/dbraw/zinc/15/50/06/570155006.db2.gz	ZSDDQFLEPZDWCQ-YBFXNURJSA-N	0	0	483.889	5.183	40	5		JKBBRN
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](C)Oc1ccccc1Cl	ZINC000409172014	570155260	/nfs/dbraw/zinc/15/52/60/570155260.db2.gz	AUYNSZMYVJZKKV-CQSZACIVSA-N	0	0	475.958	5.039	40	5		JKBBRN
O=C1NC(=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1c1ccc(Cl)cc1	ZINC000409172795	570155507	/nfs/dbraw/zinc/15/55/07/570155507.db2.gz	LMHVDYFTCSMFGB-BUVRLJJBSA-N	0	0	499.910	6.078	40	5		JKBBRN
Cc1cccc(C)c1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000409173931	570156035	/nfs/dbraw/zinc/15/60/35/570156035.db2.gz	PPQHAZANEKNUPK-SANMLTNESA-N	0	0	460.486	5.098	40	5		JKBBRN
COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409174291	570156168	/nfs/dbraw/zinc/15/61/68/570156168.db2.gz	RAEZQJCTHXTNQO-UHFFFAOYSA-N	0	0	470.865	5.365	40	5		JKBBRN
Cc1c(Cl)cccc1NC(=O)CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000409175282	570156648	/nfs/dbraw/zinc/15/66/48/570156648.db2.gz	YVPZWASFTMUTOB-UHFFFAOYSA-N	0	0	468.893	5.811	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409175899	570156804	/nfs/dbraw/zinc/15/68/04/570156804.db2.gz	DIAJFFHWRWUYKA-UHFFFAOYSA-N	0	0	486.436	6.445	40	5		JKBBRN
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21	ZINC000260759386	570156779	/nfs/dbraw/zinc/15/67/79/570156779.db2.gz	GIUAJPMCSYTDJS-ZLUZWTFRSA-N	0	0	450.520	5.238	40	5		JKBBRN
Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)OCc3ccccc3[N+](=O)[O-])n2)cc1	ZINC000409175911	570156810	/nfs/dbraw/zinc/15/68/10/570156810.db2.gz	DPUNNHJZFKHAIB-UHFFFAOYSA-N	0	0	473.510	5.636	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000409176129	570156955	/nfs/dbraw/zinc/15/69/55/570156955.db2.gz	HYRQHJQQINSRFT-SANMLTNESA-N	0	0	480.476	5.628	40	5		JKBBRN
O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(OCc2cccc3ccccc32)c1	ZINC000409176685	570157131	/nfs/dbraw/zinc/15/71/31/570157131.db2.gz	UYGFAKINULAWHT-MFKUBSTISA-N	0	0	450.450	5.672	40	5		JKBBRN
O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409176917	570157266	/nfs/dbraw/zinc/15/72/66/570157266.db2.gz	AWUHNWIJSWPVJJ-UHFFFAOYSA-N	0	0	466.298	5.091	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O	ZINC000409177241	570157386	/nfs/dbraw/zinc/15/73/86/570157386.db2.gz	FJHZSZORAUPLAR-UHFFFAOYSA-N	0	0	494.459	5.545	40	5		JKBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O	ZINC000409177239	570157422	/nfs/dbraw/zinc/15/74/22/570157422.db2.gz	FIHSORJSGZAOCN-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
Cc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000409177658	570157578	/nfs/dbraw/zinc/15/75/78/570157578.db2.gz	HLPINTIBVSKMQP-UHFFFAOYSA-N	0	0	485.279	5.368	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	ZINC000409177575	570157581	/nfs/dbraw/zinc/15/75/81/570157581.db2.gz	AIQFVKGGLMSBTM-UHFFFAOYSA-N	0	0	494.459	5.545	40	5		JKBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	ZINC000409177704	570157643	/nfs/dbraw/zinc/15/76/43/570157643.db2.gz	CESAJYCJHKDGFK-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	ZINC000409178115	570157793	/nfs/dbraw/zinc/15/77/93/570157793.db2.gz	KQHHLWFMFDBQRB-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCc2ccccc2)cc1	ZINC000409178287	570157913	/nfs/dbraw/zinc/15/79/13/570157913.db2.gz	LVOYSNWEUCINNZ-UHFFFAOYSA-N	0	0	455.466	6.323	40	5		JKBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21	ZINC000409178761	570158067	/nfs/dbraw/zinc/15/80/67/570158067.db2.gz	HZSMLQVMIMWRGW-UHFFFAOYSA-N	0	0	453.281	6.474	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000409179046	570158204	/nfs/dbraw/zinc/15/82/04/570158204.db2.gz	JPUURRWCUMYRKY-UHFFFAOYSA-N	0	0	478.460	5.342	40	5		JKBBRN
Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2)cc1	ZINC000409179074	570158255	/nfs/dbraw/zinc/15/82/55/570158255.db2.gz	MYSBMYIQWDITOM-UHFFFAOYSA-N	0	0	482.492	6.305	40	5		JKBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21	ZINC000409179496	570158396	/nfs/dbraw/zinc/15/83/96/570158396.db2.gz	RSQAFCCROGIRBW-UHFFFAOYSA-N	0	0	466.537	7.215	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1	ZINC000409179805	570158587	/nfs/dbraw/zinc/15/85/87/570158587.db2.gz	TXCSAQDQAAGVON-JWQCQUIFSA-N	0	0	498.491	5.200	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000409180124	570158719	/nfs/dbraw/zinc/15/87/19/570158719.db2.gz	VYATYFBUDLSNAD-AREMUKBSSA-N	0	0	498.447	6.076	40	5		JKBBRN
O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc(Cl)c1	ZINC000409180758	570158946	/nfs/dbraw/zinc/15/89/46/570158946.db2.gz	ZXBFXALDRCVAQQ-UHFFFAOYSA-N	0	0	454.866	5.503	40	5		JKBBRN
O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl	ZINC000409180726	570158994	/nfs/dbraw/zinc/15/89/94/570158994.db2.gz	ZIULCNRBVYGCKL-XMMPIXPASA-N	0	0	466.877	5.134	40	5		JKBBRN
Cc1cccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2)c1	ZINC000409180689	570159025	/nfs/dbraw/zinc/15/90/25/570159025.db2.gz	YHEXLISVDRNDEP-UHFFFAOYSA-N	0	0	487.533	5.931	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000409180965	570159086	/nfs/dbraw/zinc/15/90/86/570159086.db2.gz	ZTXNHULVTZBYBX-UHFFFAOYSA-N	0	0	486.436	6.445	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(CNc2ccccc2)cc1	ZINC000409180933	570159112	/nfs/dbraw/zinc/15/91/12/570159112.db2.gz	ZGYRZQDRYCVHCX-HHHXNRCGSA-N	0	0	466.493	5.988	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1Cl	ZINC000409181011	570159163	/nfs/dbraw/zinc/15/91/63/570159163.db2.gz	XYDGPRAJCXSHPA-ZVHZXABRSA-N	0	0	486.980	6.630	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c(C)c1	ZINC000409182446	570159881	/nfs/dbraw/zinc/15/98/81/570159881.db2.gz	KYKHBUFTQDAHPZ-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409182806	570159988	/nfs/dbraw/zinc/15/99/88/570159988.db2.gz	OPERUDYAMVEREU-AREMUKBSSA-N	0	0	487.895	6.822	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409182808	570160008	/nfs/dbraw/zinc/16/00/08/570160008.db2.gz	OPERUDYAMVEREU-SANMLTNESA-N	0	0	487.895	6.822	40	5		JKBBRN
CCc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409183118	570160150	/nfs/dbraw/zinc/16/01/50/570160150.db2.gz	QCEFAHOFXCAQIS-AREMUKBSSA-N	0	0	460.486	5.043	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000409183826	570160244	/nfs/dbraw/zinc/16/02/44/570160244.db2.gz	VIJWLQBCZAAOBN-UHFFFAOYSA-N	0	0	459.885	6.987	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409189289	570161396	/nfs/dbraw/zinc/16/13/96/570161396.db2.gz	OUAHLTYEAPBROB-LPYMAVHISA-N	0	0	496.928	6.077	40	5		JKBBRN
O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1	ZINC000409189676	570161490	/nfs/dbraw/zinc/16/14/90/570161490.db2.gz	MSFHUZQHIYFFPC-YDZHTSKRSA-N	0	0	489.940	6.492	40	5		JKBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O	ZINC000409191771	570162106	/nfs/dbraw/zinc/16/21/06/570162106.db2.gz	MWTQFUQCCTUBHP-WBDHZMATSA-N	0	0	474.856	5.212	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000409192595	570162537	/nfs/dbraw/zinc/16/25/37/570162537.db2.gz	YYZJUIKDQMFZKI-CKWWZSKKSA-N	0	0	498.491	5.265	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2Br)cc1	ZINC000409193886	570162862	/nfs/dbraw/zinc/16/28/62/570162862.db2.gz	GYJMBEPFUJRTGY-UHFFFAOYSA-N	0	0	492.167	6.311	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccc(Cl)cc1	ZINC000409194160	570163032	/nfs/dbraw/zinc/16/30/32/570163032.db2.gz	NOBUXXPQACJSPX-WOJGMQOQSA-N	0	0	453.863	5.676	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)c(Cl)c2)cc1	ZINC000409194884	570163238	/nfs/dbraw/zinc/16/32/38/570163238.db2.gz	DVVVAJHTFRJYFW-UHFFFAOYSA-N	0	0	453.325	7.246	40	5		JKBBRN
Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1C	ZINC000409198964	570164447	/nfs/dbraw/zinc/16/44/47/570164447.db2.gz	GKKLQMKAAKZCMU-RFBIWTDZSA-N	0	0	477.973	6.340	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1	ZINC000409199040	570164478	/nfs/dbraw/zinc/16/44/78/570164478.db2.gz	AUKAUVHUDXZYTB-JCMHNJIXSA-N	0	0	496.997	6.678	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1CCc1ccccc1	ZINC000409199809	570164797	/nfs/dbraw/zinc/16/47/97/570164797.db2.gz	DXEIFMAPAWYQGK-HYARGMPZSA-N	0	0	491.481	5.574	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1	ZINC000409200186	570164958	/nfs/dbraw/zinc/16/49/58/570164958.db2.gz	GXLDUNABAABONS-YBFXNURJSA-N	0	0	456.863	5.758	40	5		JKBBRN
COCCN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O	ZINC000409201735	570165575	/nfs/dbraw/zinc/16/55/75/570165575.db2.gz	NOCDCHXTQUATSZ-VCHYOVAHSA-N	0	0	498.435	5.097	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1cccc(Br)c1	ZINC000409203581	570166535	/nfs/dbraw/zinc/16/65/35/570166535.db2.gz	YSQQPGWEVOIXPU-UUASQNMZSA-N	0	0	488.146	5.901	40	5		JKBBRN
O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1	ZINC000409208723	570168332	/nfs/dbraw/zinc/16/83/32/570168332.db2.gz	CUQAWFCUUUFQEV-FSJBWODESA-N	0	0	489.940	6.492	40	5		JKBBRN
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c1	ZINC000409213152	570170893	/nfs/dbraw/zinc/17/08/93/570170893.db2.gz	OUAUFABEBFWAEK-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
COCCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O	ZINC000409222272	570174879	/nfs/dbraw/zinc/17/48/79/570174879.db2.gz	WLVMZYDDQRXLOY-WOJGMQOQSA-N	0	0	482.436	5.479	40	5		JKBBRN
CC(C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328958478	570179217	/nfs/dbraw/zinc/17/92/17/570179217.db2.gz	APGFVVNHTMVTAC-UHFFFAOYSA-N	0	0	467.835	5.012	40	5		JKBBRN
O=[N+]([O-])c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1	ZINC000329047109	570183025	/nfs/dbraw/zinc/18/30/25/570183025.db2.gz	UEUKAYZAPSEZIW-UHFFFAOYSA-N	0	0	473.455	6.439	40	5		JKBBRN
Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1	ZINC000409244296	570183497	/nfs/dbraw/zinc/18/34/97/570183497.db2.gz	ATGSACGQVIEVTK-ODLFYWEKSA-N	0	0	482.290	5.019	40	5		JKBBRN
COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O	ZINC000409246502	570184446	/nfs/dbraw/zinc/18/44/46/570184446.db2.gz	CBBVQCHYYPTXHJ-WOJGMQOQSA-N	0	0	497.356	5.553	40	5		JKBBRN
O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2-c2nc3ccccc3s2)c([N+](=O)[O-])c1	ZINC000409255993	570186920	/nfs/dbraw/zinc/18/69/20/570186920.db2.gz	NBFNONXOIDQURC-UHFFFAOYSA-N	0	0	472.276	6.335	40	5		JKBBRN
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409258619	570187295	/nfs/dbraw/zinc/18/72/95/570187295.db2.gz	VSIBPECYDUYICI-UHFFFAOYSA-N	0	0	477.498	5.079	40	5		JKBBRN
COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409267764	570188746	/nfs/dbraw/zinc/18/87/46/570188746.db2.gz	XMRWZYPFUOKQPB-UHFFFAOYSA-N	0	0	494.485	5.560	40	5		JKBBRN
O=C(Nc1ccc(Br)c(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000409268534	570188857	/nfs/dbraw/zinc/18/88/57/570188857.db2.gz	VFONENNVQXSTFJ-LDADJPATSA-N	0	0	457.711	6.190	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)o1	ZINC000409272214	570189409	/nfs/dbraw/zinc/18/94/09/570189409.db2.gz	MMPQUTGRMLGYMG-SRZZPIQSSA-N	0	0	498.900	5.436	40	5		JKBBRN
COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1	ZINC000408541309	570191593	/nfs/dbraw/zinc/19/15/93/570191593.db2.gz	CEJWTFOEUPQHNO-YVMONPNESA-N	0	0	463.259	5.551	40	5		JKBBRN
CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408544406	570192571	/nfs/dbraw/zinc/19/25/71/570192571.db2.gz	SVHDVPZVBNQMSB-YVMONPNESA-N	0	0	479.367	6.180	40	5		JKBBRN
COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1OC	ZINC000408547497	570193821	/nfs/dbraw/zinc/19/38/21/570193821.db2.gz	YHJMEKGTCHIWET-UHFFFAOYSA-N	0	0	465.409	5.052	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1	ZINC000408554378	570196195	/nfs/dbraw/zinc/19/61/95/570196195.db2.gz	DNDJOMULUWEJDC-UHFFFAOYSA-N	0	0	475.314	6.086	40	5		JKBBRN
CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408555733	570196982	/nfs/dbraw/zinc/19/69/82/570196982.db2.gz	IDVTVGWBRLAAHK-XMMPIXPASA-N	0	0	484.961	6.005	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(Cl)c2C)cc1	ZINC000409310384	570199016	/nfs/dbraw/zinc/19/90/16/570199016.db2.gz	AYSXKTVPIOWQQL-UHFFFAOYSA-N	0	0	487.965	5.007	40	5		JKBBRN
CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408559656	570199889	/nfs/dbraw/zinc/19/98/89/570199889.db2.gz	AQXDATZUDYZYEW-NMWGTECJSA-N	0	0	470.765	6.154	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc4ccccc43)c(Br)c2)c1	ZINC000408560574	570200439	/nfs/dbraw/zinc/20/04/39/570200439.db2.gz	ZRMWOORAYUHRSC-UHFFFAOYSA-N	0	0	463.331	6.702	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408560952	570200662	/nfs/dbraw/zinc/20/06/62/570200662.db2.gz	GBODIRVHLFGREO-ATJXCDBQSA-N	0	0	450.347	5.755	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1	ZINC000408561235	570200941	/nfs/dbraw/zinc/20/09/41/570200941.db2.gz	HFXSQUDNNMCJJP-FLFQWRMESA-N	0	0	464.374	6.145	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1	ZINC000408561582	570201166	/nfs/dbraw/zinc/20/11/66/570201166.db2.gz	JZEUOOWBTNIOGZ-ATJXCDBQSA-N	0	0	450.347	5.755	40	5		JKBBRN
CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408561739	570201272	/nfs/dbraw/zinc/20/12/72/570201272.db2.gz	KSDLFWLIFCLBCC-NMWGTECJSA-N	0	0	470.765	6.154	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(C)c(C)c1	ZINC000408562507	570201863	/nfs/dbraw/zinc/20/18/63/570201863.db2.gz	QKJJKFCLCKGFCO-BZZOAKBMSA-N	0	0	457.983	6.109	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1	ZINC000408564494	570202635	/nfs/dbraw/zinc/20/26/35/570202635.db2.gz	YVTJQHVBGGOMJK-LNVKXUELSA-N	0	0	474.380	5.601	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	ZINC000408564475	570202684	/nfs/dbraw/zinc/20/26/84/570202684.db2.gz	DDMNBCGEEMQPKF-FMNCTDSISA-N	0	0	498.366	5.094	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	ZINC000408564671	570202732	/nfs/dbraw/zinc/20/27/32/570202732.db2.gz	DNSIGFNSTHVEOC-NIDLKEISSA-N	0	0	498.366	5.094	40	5		JKBBRN
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)ccc1[N+](=O)[O-]	ZINC000408564657	570202799	/nfs/dbraw/zinc/20/27/99/570202799.db2.gz	ZVQYWUDVZUJKGF-UHFFFAOYSA-N	0	0	461.499	5.110	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1	ZINC000408564860	570202910	/nfs/dbraw/zinc/20/29/10/570202910.db2.gz	APCWFLLEEYIMDQ-DEOSSOPVSA-N	0	0	476.558	5.273	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000408565124	570203039	/nfs/dbraw/zinc/20/30/39/570203039.db2.gz	BFYOPKPSTKYWMI-HXUWFJFHSA-N	0	0	451.866	5.717	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000408565123	570203093	/nfs/dbraw/zinc/20/30/93/570203093.db2.gz	BFYOPKPSTKYWMI-FQEVSTJZSA-N	0	0	451.866	5.717	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(C)c(C)c1	ZINC000408565723	570203497	/nfs/dbraw/zinc/20/34/97/570203497.db2.gz	CXELEHBALJNHRE-VWLOTQADSA-N	0	0	492.576	6.021	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(C)c(C)c1	ZINC000408566309	570203726	/nfs/dbraw/zinc/20/37/26/570203726.db2.gz	FGZYMKZHNUXVEL-VWLOTQADSA-N	0	0	474.586	5.882	40	5		JKBBRN
COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-]	ZINC000409330172	570203838	/nfs/dbraw/zinc/20/38/38/570203838.db2.gz	JXMXSNOFEFXAPN-HHHXNRCGSA-N	0	0	465.509	5.969	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1	ZINC000408567099	570203901	/nfs/dbraw/zinc/20/39/01/570203901.db2.gz	GLIUQOHHJMPGKL-XMMPIXPASA-N	0	0	494.548	5.413	40	5		JKBBRN
CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1Cl	ZINC000408567203	570203992	/nfs/dbraw/zinc/20/39/92/570203992.db2.gz	GSJOHARNTFKVIY-GOSISDBHSA-N	0	0	483.377	5.400	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(C)cc1	ZINC000408569103	570204246	/nfs/dbraw/zinc/20/42/46/570204246.db2.gz	IVEJBENPJSIYRR-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(C)cc1	ZINC000408569086	570204258	/nfs/dbraw/zinc/20/42/58/570204258.db2.gz	ITKNQDMFDBSXKP-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])c3c[nH]c4ccccc43)cc2Br)cc1	ZINC000408569099	570204262	/nfs/dbraw/zinc/20/42/62/570204262.db2.gz	IUUQXBRTCJFZMT-OAQYLSRUSA-N	0	0	465.347	6.226	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000408569072	570204290	/nfs/dbraw/zinc/20/42/90/570204290.db2.gz	IPNLIHJWCBHGED-HXUWFJFHSA-N	0	0	485.367	6.861	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(C)cc1	ZINC000408569143	570204361	/nfs/dbraw/zinc/20/43/61/570204361.db2.gz	IZAVGAGAOMJLCI-DEOSSOPVSA-N	0	0	495.004	6.227	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(C)c(C)c1	ZINC000408569889	570204451	/nfs/dbraw/zinc/20/44/51/570204451.db2.gz	KDUXCFFBIUKDNC-RUZDIDTESA-N	0	0	492.576	6.021	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(C)cc1	ZINC000408569969	570204454	/nfs/dbraw/zinc/20/44/54/570204454.db2.gz	KKLGJCCBMMPVDW-VWLOTQADSA-N	0	0	474.586	5.882	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(C)cc1	ZINC000408569968	570204469	/nfs/dbraw/zinc/20/44/69/570204469.db2.gz	KKLGJCCBMMPVDW-RUZDIDTESA-N	0	0	474.586	5.882	40	5		JKBBRN
CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Cl	ZINC000408570888	570204619	/nfs/dbraw/zinc/20/46/19/570204619.db2.gz	MEJNIOPEJPQFRD-QGZVFWFLSA-N	0	0	471.341	5.530	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1	ZINC000408571070	570204633	/nfs/dbraw/zinc/20/46/33/570204633.db2.gz	NFSNIXCRVKLVET-XMMPIXPASA-N	0	0	494.548	5.413	40	5		JKBBRN
CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl	ZINC000408571178	570204702	/nfs/dbraw/zinc/20/47/02/570204702.db2.gz	OBGKYTWRKPLPLU-QGZVFWFLSA-N	0	0	487.796	6.045	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccccc1F	ZINC000408571334	570204718	/nfs/dbraw/zinc/20/47/18/570204718.db2.gz	OJYJYJWQMRKAAF-FQEVSTJZSA-N	0	0	469.310	6.057	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccccc1	ZINC000408571641	570204811	/nfs/dbraw/zinc/20/48/11/570204811.db2.gz	PJLXLFGXLSOACQ-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1	ZINC000408571957	570204856	/nfs/dbraw/zinc/20/48/56/570204856.db2.gz	QBMROLMQFNOAHL-XMMPIXPASA-N	0	0	494.548	5.413	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	ZINC000408572405	570204929	/nfs/dbraw/zinc/20/49/29/570204929.db2.gz	RBUWDHRBDPTXAQ-GOSISDBHSA-N	0	0	459.304	6.601	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(C)cc1	ZINC000408572371	570204945	/nfs/dbraw/zinc/20/49/45/570204945.db2.gz	QYSDFXHQVGDYMS-DEOSSOPVSA-N	0	0	460.559	5.573	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccccc1	ZINC000408572424	570204970	/nfs/dbraw/zinc/20/49/70/570204970.db2.gz	RDMDIHSCLALDSU-HSZRJFAPSA-N	0	0	464.522	5.404	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(C)cc1	ZINC000408572736	570204985	/nfs/dbraw/zinc/20/49/85/570204985.db2.gz	RXMOLDOFYJFLNK-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(Cl)cc1	ZINC000408572661	570205005	/nfs/dbraw/zinc/20/50/05/570205005.db2.gz	RQRTYOFEKJHSSC-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	ZINC000408573192	570205090	/nfs/dbraw/zinc/20/50/90/570205090.db2.gz	MTFRLYRNQDMCSL-SDNWHVSQSA-N	0	0	486.572	5.207	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(F)cc1	ZINC000408573061	570205098	/nfs/dbraw/zinc/20/50/98/570205098.db2.gz	SHKJJUBTLWHSKR-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(F)cc1	ZINC000408573037	570205118	/nfs/dbraw/zinc/20/51/18/570205118.db2.gz	SFUOQLMLOHJCKA-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1cccc(C)c1	ZINC000408574038	570205354	/nfs/dbraw/zinc/20/53/54/570205354.db2.gz	ULNYRGHOFWLFQJ-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(Cl)cc1	ZINC000408574406	570205388	/nfs/dbraw/zinc/20/53/88/570205388.db2.gz	USUUQKHGAAJMGQ-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1	ZINC000408574523	570205482	/nfs/dbraw/zinc/20/54/82/570205482.db2.gz	VCGMNKCCNDWXSI-LJQANCHMSA-N	0	0	477.384	5.155	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccc(Br)cc1	ZINC000408575070	570205560	/nfs/dbraw/zinc/20/55/60/570205560.db2.gz	VXTCGYVNOIZLRQ-NRFANRHFSA-N	0	0	451.320	5.918	40	5		JKBBRN
CCOC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCC2	ZINC000408574987	570205571	/nfs/dbraw/zinc/20/55/71/570205571.db2.gz	NRPPTTSXAPDMOB-HMMYKYKNSA-N	0	0	462.527	5.501	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(F)cc1	ZINC000408575108	570205599	/nfs/dbraw/zinc/20/55/99/570205599.db2.gz	WAMGGLFWHFMJGV-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(C)cc1	ZINC000408575898	570205776	/nfs/dbraw/zinc/20/57/76/570205776.db2.gz	WZQOADKRMZGLCI-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Br	ZINC000408575828	570205783	/nfs/dbraw/zinc/20/57/83/570205783.db2.gz	WWFOZBDKASYGRP-LJQANCHMSA-N	0	0	477.384	5.074	40	5		JKBBRN
Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cccc1[N+](=O)[O-]	ZINC000408576029	570205804	/nfs/dbraw/zinc/20/58/04/570205804.db2.gz	MBIASQLRXVWEFK-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408576486	570205989	/nfs/dbraw/zinc/20/59/89/570205989.db2.gz	WCSZZLWISHWNFC-JJIBRWJFSA-N	0	0	482.923	6.659	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000408576688	570206001	/nfs/dbraw/zinc/20/60/01/570206001.db2.gz	YBMQSSQDAPGEOE-FQEVSTJZSA-N	0	0	451.866	5.717	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(Cl)cc1	ZINC000408577080	570206062	/nfs/dbraw/zinc/20/60/62/570206062.db2.gz	YNWTZDREMVVKEY-DEOSSOPVSA-N	0	0	495.004	6.227	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-]	ZINC000408580768	570206663	/nfs/dbraw/zinc/20/66/63/570206663.db2.gz	DWOSWSWVUCSURG-UHFFFAOYSA-N	0	0	482.871	5.763	40	5		JKBBRN
COC(=O)c1c2ccc3ccc4cccnc4c3n2c(C(=O)c2ccc(Cl)cc2)c1C(=O)OC	ZINC000000638994	193868341	/nfs/dbraw/zinc/86/83/41/193868341.db2.gz	KJTDFNWYVBLLQR-UHFFFAOYSA-N	0	0	472.884	5.098	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O	ZINC000001212460	194071690	/nfs/dbraw/zinc/07/16/90/194071690.db2.gz	CRGLESUARFMDBY-OPIFHRFKSA-N	0	0	478.504	5.027	40	5		JKBBRN
COc1ccc2nc3sc4c(ncnc4SCC(=O)N4c5ccccc5C[C@H]4C)c3cc2c1	ZINC000001327849	194088227	/nfs/dbraw/zinc/08/82/27/194088227.db2.gz	FTAJRBAPOWXLNN-CQSZACIVSA-N	0	0	472.595	5.471	40	5		JKBBRN
CC(=O)Nc1ccccc1/C=C/c1cc(/C=C/c2ccccc2NC(C)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003845208	194364046	/nfs/dbraw/zinc/36/40/46/194364046.db2.gz	GDPXPLJIYGSVEG-PHEQNACWSA-N	0	0	486.484	5.761	40	5		JKBBRN
O=[N+]([O-])c1cc([C@@H](O)Cc2ccc3ccccc3n2)ccc1[C@@H](O)Cc1ccc2ccccc2n1	ZINC000003845190	194364096	/nfs/dbraw/zinc/36/40/96/194364096.db2.gz	NQCMQHOPGXXXNG-NSOVKSMOSA-N	0	0	465.509	5.243	40	5		JKBBRN
O=c1c2c([nH]c(=S)n1-c1ccccc1)sc1sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c12	ZINC000003850760	194364610	/nfs/dbraw/zinc/36/46/10/194364610.db2.gz	UQVAKDPUHWTUCF-UHFFFAOYSA-N	0	0	492.632	5.686	40	5		JKBBRN
O=C(c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1)c1ccc2ccccc2c1	ZINC000003848872	194364671	/nfs/dbraw/zinc/36/46/71/194364671.db2.gz	TVKHVLLWDGGYLH-UHFFFAOYSA-N	0	0	484.489	5.467	40	5		JKBBRN
CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(-c2cccs2)nn1-c1ccc([N+](=O)[O-])cc1	ZINC000004293487	194387692	/nfs/dbraw/zinc/38/76/92/194387692.db2.gz	XKTNAVZZRTVEMT-UHFFFAOYSA-N	0	0	464.459	5.261	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c3)o2)c([N+](=O)[O-])c1	ZINC000020610406	195183629	/nfs/dbraw/zinc/18/36/29/195183629.db2.gz	QFKRUYFRITUCKS-UHFFFAOYSA-N	0	0	457.421	5.289	40	5		JKBBRN
CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610607	195183782	/nfs/dbraw/zinc/18/37/82/195183782.db2.gz	ZHYWZFBQOXKXJE-DTQAZKPQSA-N	0	0	493.523	6.364	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3Cl)o2)c([N+](=O)[O-])c1	ZINC000020610917	195184167	/nfs/dbraw/zinc/18/41/67/195184167.db2.gz	UVIAFILADCZYQA-UHFFFAOYSA-N	0	0	489.875	5.503	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)c([N+](=O)[O-])c1	ZINC000020610953	195184271	/nfs/dbraw/zinc/18/42/71/195184271.db2.gz	GKEKVLKAFRBZAJ-UHFFFAOYSA-N	0	0	453.458	5.458	40	5		JKBBRN
Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000020611117	195184922	/nfs/dbraw/zinc/18/49/22/195184922.db2.gz	SGYTWFCKPFADBD-UHFFFAOYSA-N	0	0	474.496	5.019	40	5		JKBBRN
CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1	ZINC000020671727	195198716	/nfs/dbraw/zinc/19/87/16/195198716.db2.gz	PTUJDQNVHLGOCR-IBGZPJMESA-N	0	0	473.558	5.361	40	5		JKBBRN
COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	ZINC000021124442	195280428	/nfs/dbraw/zinc/28/04/28/195280428.db2.gz	KEKZUJZBMZBWAG-QPJJXVBHSA-N	0	0	478.244	5.730	40	5		JKBBRN
COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1[N+](=O)[O-]	ZINC000021124586	195280457	/nfs/dbraw/zinc/28/04/57/195280457.db2.gz	DBUAYGSDUVIDMW-HWKANZROSA-N	0	0	478.244	5.730	40	5		JKBBRN
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)ccc1[N+](=O)[O-]	ZINC000021305748	195293699	/nfs/dbraw/zinc/29/36/99/195293699.db2.gz	MEIWYTZBCIZEJG-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1	ZINC000021595593	195317844	/nfs/dbraw/zinc/31/78/44/195317844.db2.gz	WADBMAKWULDORA-UHFFFAOYSA-N	0	0	472.545	5.644	40	5		JKBBRN
COc1ccc(-c2csc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)n2)cc1OC	ZINC000021595504	195317883	/nfs/dbraw/zinc/31/78/83/195317883.db2.gz	ANVXMEHKHSRNGM-UHFFFAOYSA-N	0	0	475.935	5.856	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(NC(=O)c2cccs2)c1	ZINC000021595495	195317907	/nfs/dbraw/zinc/31/79/07/195317907.db2.gz	UZYFIPJNEWENQX-ACCUITESSA-N	0	0	459.483	5.821	40	5		JKBBRN
CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1Cl	ZINC000059294093	195396839	/nfs/dbraw/zinc/39/68/39/195396839.db2.gz	FVPUWUPIQVVFIX-UHFFFAOYSA-N	0	0	466.346	5.897	40	5		JKBBRN
O=[N+]([O-])c1ccc2nc(Sc3nnc(COc4ccccc4)n3-c3ccccc3)sc2c1	ZINC000059432015	195401767	/nfs/dbraw/zinc/40/17/67/195401767.db2.gz	NMAIGDLWUUBQCZ-UHFFFAOYSA-N	0	0	461.528	5.515	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1	ZINC000106690983	195458032	/nfs/dbraw/zinc/45/80/32/195458032.db2.gz	DMMPEUVIUMVCIQ-XKZIYDEJSA-N	0	0	464.474	5.549	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1	ZINC000106724476	195460701	/nfs/dbraw/zinc/46/07/01/195460701.db2.gz	ZZCYTDQJHYJKML-JAIQZWGSSA-N	0	0	499.342	6.162	40	5		JKBBRN
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1	ZINC000096298271	130052565	/nfs/dbraw/zinc/05/25/65/130052565.db2.gz	JRARFLXUKCVKRZ-QKDODKLFSA-N	0	0	491.503	5.313	40	5		JKBBRN
CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c4ccccc4ccc23)cc1	ZINC000012487989	518362183	/nfs/dbraw/zinc/36/21/83/518362183.db2.gz	UPQBQKWWYZZBEZ-UHFFFAOYSA-N	0	0	477.589	6.692	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000020460947	519023834	/nfs/dbraw/zinc/02/38/34/519023834.db2.gz	KOKAZHMXDUNNGX-UHFFFAOYSA-N	0	0	452.532	5.065	40	5		JKBBRN
CC1(C)CC(OC(=O)c2c3ccccc3c3ccc4cccc5ccc2c3c45)CC(C)(C)N1O	ZINC000005639601	520288634	/nfs/dbraw/zinc/28/86/34/520288634.db2.gz	FLQLHBSGRYKHTQ-UHFFFAOYSA-N	0	0	451.566	7.305	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022710248	521264438	/nfs/dbraw/zinc/26/44/38/521264438.db2.gz	WXONXJJWJASXKA-UHFFFAOYSA-N	0	0	474.477	5.140	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1	ZINC000022716613	521266221	/nfs/dbraw/zinc/26/62/21/521266221.db2.gz	JXHGYIUZTMGFHD-UHFFFAOYSA-N	0	0	479.924	5.342	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022716610	521266752	/nfs/dbraw/zinc/26/67/52/521266752.db2.gz	CKQLXWKLQJBCMP-UHFFFAOYSA-N	0	0	479.924	5.586	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1	ZINC000022741495	521267396	/nfs/dbraw/zinc/26/73/96/521267396.db2.gz	FIUAPGMNLXURAU-UHFFFAOYSA-N	0	0	484.343	6.230	40	5		JKBBRN
COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000026124710	523348353	/nfs/dbraw/zinc/34/83/53/523348353.db2.gz	REMCBUHDAMPZSA-WYMLVPIESA-N	0	0	495.495	5.558	40	5		JKBBRN
Cc1ccc(S(=O)(=O)/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1	ZINC000016309074	525486315	/nfs/dbraw/zinc/48/63/15/525486315.db2.gz	ACTSYEDSFNDHQI-WCTVFOPTSA-N	0	0	482.586	6.461	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O	ZINC000016115982	526077113	/nfs/dbraw/zinc/07/71/13/526077113.db2.gz	PXKSZLNWUBATKZ-ZKBLBJRCSA-N	0	0	462.505	5.327	40	5		JKBBRN
Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc([N+](=O)[O-])c2)c2ccccc2)c1C	ZINC000026770797	526884409	/nfs/dbraw/zinc/88/44/09/526884409.db2.gz	FNPMKAZZCWIIST-DEOSSOPVSA-N	0	0	457.555	6.727	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000009259478	527103266	/nfs/dbraw/zinc/10/32/66/527103266.db2.gz	OSSOUHNHGCDXTB-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000037073943	527380183	/nfs/dbraw/zinc/38/01/83/527380183.db2.gz	CRYDTGWOULSLPD-OAIYOMOFSA-N	0	0	460.961	7.124	40	5		JKBBRN
O=[N+]([O-])c1cnn(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)c1	ZINC000022713486	527415925	/nfs/dbraw/zinc/41/59/25/527415925.db2.gz	IVFXLQJMALCRIG-UHFFFAOYSA-N	0	0	477.374	5.030	40	5		JKBBRN
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]4(Cl)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000096332240	535384712	/nfs/dbraw/zinc/38/47/12/535384712.db2.gz	JQQAXXNZGKFEGG-RUXQDQFYSA-N	0	0	468.122	7.085	40	5		JKBBRN
Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1	ZINC000000781466	553779554	/nfs/dbraw/zinc/77/95/54/553779554.db2.gz	HAIMPBSRLQCQBK-UHFFFAOYSA-N	0	0	489.557	5.102	40	5		JKBBRN
Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)c1	ZINC000000781467	553779571	/nfs/dbraw/zinc/77/95/71/553779571.db2.gz	GAQCHZXCADZWPL-UHFFFAOYSA-N	0	0	489.557	5.102	40	5		JKBBRN
Cc1nn(CC(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)c(C)c1[N+](=O)[O-]	ZINC000000797430	553782602	/nfs/dbraw/zinc/78/26/02/553782602.db2.gz	PRLQERDCXVYBCV-UHFFFAOYSA-N	0	0	494.454	5.910	40	5		JKBBRN
Cc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1	ZINC000000868879	553807454	/nfs/dbraw/zinc/80/74/54/553807454.db2.gz	RRNXUXXAHBWUDN-UHFFFAOYSA-N	0	0	459.531	5.190	40	5		JKBBRN
Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1	ZINC000000869028	553808012	/nfs/dbraw/zinc/80/80/12/553808012.db2.gz	VZBDKKQIXNKKPP-UHFFFAOYSA-N	0	0	489.557	5.102	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(F)cc2)nc2c(C)cccc12	ZINC000000869023	553808014	/nfs/dbraw/zinc/80/80/14/553808014.db2.gz	UCLYGDWVNZCIAM-UHFFFAOYSA-N	0	0	462.506	5.692	40	5		JKBBRN
Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	ZINC000000888308	553826528	/nfs/dbraw/zinc/82/65/28/553826528.db2.gz	VHCSKOQVUZPPCV-QGZVFWFLSA-N	0	0	459.531	5.270	40	5		JKBBRN
Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000000888263	553826579	/nfs/dbraw/zinc/82/65/79/553826579.db2.gz	VUMPXLIJTPMINZ-UHFFFAOYSA-N	0	0	473.558	5.114	40	5		JKBBRN
Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000000917698	553848774	/nfs/dbraw/zinc/84/87/74/553848774.db2.gz	LZOCCMOPEQTWHR-UHFFFAOYSA-N	0	0	475.555	5.312	40	5		JKBBRN
Cc1ccc(S(=O)(=O)C(CCC(=O)c2ccccc2)(CCC(=O)c2ccccc2)[N+](=O)[O-])cc1	ZINC000001582527	553979530	/nfs/dbraw/zinc/97/95/30/553979530.db2.gz	VCXHLSGWHVDFML-UHFFFAOYSA-N	0	0	479.554	5.068	40	5		JKBBRN
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1	ZINC000001673120	553982239	/nfs/dbraw/zinc/98/22/39/553982239.db2.gz	HSGAXBCGECCUFK-UHFFFAOYSA-N	0	0	483.527	5.209	40	5		JKBBRN
Cc1c(Cl)c(-c2c(Cl)c(C)c(Cl)c([N+](=O)[O-])c2Cl)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000001692555	553983175	/nfs/dbraw/zinc/98/31/75/553983175.db2.gz	RKMYVKBGFHNXFA-UHFFFAOYSA-N	0	0	478.930	7.707	40	5		JKBBRN
O=C(OCc1ccc(Br)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000001846578	553995068	/nfs/dbraw/zinc/99/50/68/553995068.db2.gz	SYXXQPBFUZNYSD-UHFFFAOYSA-N	0	0	489.303	5.774	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1	ZINC000001866204	553999255	/nfs/dbraw/zinc/99/92/55/553999255.db2.gz	LRJRBWUDSKHBKV-CQSZACIVSA-N	0	0	463.921	7.131	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1	ZINC000001868331	553999918	/nfs/dbraw/zinc/99/99/18/553999918.db2.gz	CKKGUGCBRXICMS-CYBMUJFWSA-N	0	0	484.339	7.476	40	5		JKBBRN
O=[N+]([O-])c1cccc(S(=O)(=O)[C@@H](Cc2ccccc2)Sc2ccc(Br)cc2)c1	ZINC000003022541	554423581	/nfs/dbraw/zinc/42/35/81/554423581.db2.gz	KXKPVMRKBWNLDK-FQEVSTJZSA-N	0	0	478.389	5.492	40	5		JKBBRN
Cc1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000003092878	554425846	/nfs/dbraw/zinc/42/58/46/554425846.db2.gz	LILMUVDJKXIILN-UHFFFAOYSA-N	0	0	460.273	5.965	40	5		JKBBRN
O=C(Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003143536	554427026	/nfs/dbraw/zinc/42/70/26/554427026.db2.gz	DBGFKSVDXXKBRM-UHFFFAOYSA-N	0	0	482.452	5.734	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N[C@@]1(c1c[nH]c2ccccc21)c1c[nH]c2ccc(Br)cc21	ZINC000004822657	554482273	/nfs/dbraw/zinc/48/22/73/554482273.db2.gz	IGKHGLRADDVBRQ-DEOSSOPVSA-N	0	0	487.313	5.872	40	5		JKBBRN
CCOc1ccccc1/C=C\c1cc(/C=C\c2ccccc2OCC)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005080554	554486229	/nfs/dbraw/zinc/48/62/29/554486229.db2.gz	LCGDFKVPGMGRPZ-VMNXYWKNSA-N	0	0	460.486	6.641	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N	ZINC000006136383	554508203	/nfs/dbraw/zinc/50/82/03/554508203.db2.gz	CJEBCIWCKGBZOC-UHFFFAOYSA-N	0	0	496.548	6.382	40	5		JKBBRN
C[C@H](Sc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000006177161	554514697	/nfs/dbraw/zinc/51/46/97/554514697.db2.gz	LCMQKVDAAHSPKE-AWEZNQCLSA-N	0	0	480.937	5.010	40	5		JKBBRN
C[C@H](Sc1nnc(C2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000006177162	554514747	/nfs/dbraw/zinc/51/47/47/554514747.db2.gz	XRZAOABUIRWUJX-INIZCTEOSA-N	0	0	451.552	5.343	40	5		JKBBRN
COc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1	ZINC000006194330	554517911	/nfs/dbraw/zinc/51/79/11/554517911.db2.gz	QRGJWCBCWCVQJA-KRWDZBQOSA-N	0	0	489.557	5.279	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NCc1nnc(SCc2ccccc2Cl)n1-c1ccccc1	ZINC000006280834	554525047	/nfs/dbraw/zinc/52/50/47/554525047.db2.gz	NIJCSXHQJQHDEE-UHFFFAOYSA-N	0	0	465.966	6.042	40	5		JKBBRN
Cc1cccc(NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1	ZINC000006442584	554536789	/nfs/dbraw/zinc/53/67/89/554536789.db2.gz	TXYHUUWBENNRGU-UHFFFAOYSA-N	0	0	488.573	5.135	40	5		JKBBRN
Nc1c(C(=O)Nc2ccccc2[N+](=O)[O-])sc2nc(-c3ccccc3)cc(-c3ccccc3)c12	ZINC000006474390	554544110	/nfs/dbraw/zinc/54/41/10/554544110.db2.gz	XGLTXRJRJLSABY-UHFFFAOYSA-N	0	0	466.522	6.373	40	5		JKBBRN
O=C(CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000006474700	554544367	/nfs/dbraw/zinc/54/43/67/554544367.db2.gz	OGEMEFKGPRVYDE-UHFFFAOYSA-N	0	0	494.964	5.172	40	5		JKBBRN
CCOc1ccc2nc(-c3ccccc3)nc(SCc3nnc(-c4ccccc4[N+](=O)[O-])o3)c2c1	ZINC000006631081	554556329	/nfs/dbraw/zinc/55/63/29/554556329.db2.gz	AWAZMPROHSQGCP-UHFFFAOYSA-N	0	0	485.525	5.946	40	5		JKBBRN
CCc1cccc2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc(-c3ccc(F)cc3)nc12	ZINC000006860509	554559102	/nfs/dbraw/zinc/55/91/02/554559102.db2.gz	QIJBIKOHIVSTAO-UHFFFAOYSA-N	0	0	496.951	6.291	40	5		JKBBRN
CCc1cccc2c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nc(-c3ccccc3)nc12	ZINC000006860507	554559109	/nfs/dbraw/zinc/55/91/09/554559109.db2.gz	FOVLIEFWJQYWQY-UHFFFAOYSA-N	0	0	458.543	5.807	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c21	ZINC000006906612	554561832	/nfs/dbraw/zinc/56/18/32/554561832.db2.gz	KSLAHOAAPRKTSG-UHFFFAOYSA-N	0	0	452.517	5.006	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21	ZINC000006906617	554561845	/nfs/dbraw/zinc/56/18/45/554561845.db2.gz	PGTAIEXNBGNTAN-UHFFFAOYSA-N	0	0	480.933	5.598	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(Cl)c([N+](=O)[O-])cc3C)o2)cc1Cl	ZINC000008831314	554721807	/nfs/dbraw/zinc/72/18/07/554721807.db2.gz	WQDJNVOUXGYNMX-UHFFFAOYSA-N	0	0	464.330	5.905	40	5		JKBBRN
C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000008831772	554723761	/nfs/dbraw/zinc/72/37/61/554723761.db2.gz	XCSWZVWFQWRTAU-INIZCTEOSA-N	0	0	464.547	5.360	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1	ZINC000008831802	554723798	/nfs/dbraw/zinc/72/37/98/554723798.db2.gz	CRIBNGOKVQIKLF-XBXARRHUSA-N	0	0	455.257	5.757	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1C	ZINC000008832096	554725258	/nfs/dbraw/zinc/72/52/58/554725258.db2.gz	NHCHJPSSULHELP-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)c(C)c1	ZINC000008832205	554725680	/nfs/dbraw/zinc/72/56/80/554725680.db2.gz	AGIYLQHBFKNXGB-UHFFFAOYSA-N	0	0	472.549	5.352	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1	ZINC000008832343	554726392	/nfs/dbraw/zinc/72/63/92/554726392.db2.gz	HAMIAAAZPBEBET-WUXMJOGZSA-N	0	0	461.861	5.899	40	5		JKBBRN
COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl	ZINC000008832313	554726396	/nfs/dbraw/zinc/72/63/96/554726396.db2.gz	OEENCJIOZCTFCR-UHFFFAOYSA-N	0	0	460.273	5.415	40	5		JKBBRN
CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1	ZINC000008832795	554728399	/nfs/dbraw/zinc/72/83/99/554728399.db2.gz	USQNJFXHRZTTAF-UHFFFAOYSA-N	0	0	474.542	5.331	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000008833006	554729465	/nfs/dbraw/zinc/72/94/65/554729465.db2.gz	OCQXMQIASJNABJ-UHFFFAOYSA-N	0	0	486.903	5.384	40	5		JKBBRN
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008833157	554730041	/nfs/dbraw/zinc/73/00/41/554730041.db2.gz	CUKSSJROJZTJLB-UHFFFAOYSA-N	0	0	487.541	5.130	40	5		JKBBRN
O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008833179	554730055	/nfs/dbraw/zinc/73/00/55/554730055.db2.gz	SEOSZECWGVSEOF-UHFFFAOYSA-N	0	0	473.769	5.282	40	5		JKBBRN
Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cccc1[N+](=O)[O-]	ZINC000008833304	554730516	/nfs/dbraw/zinc/73/05/16/554730516.db2.gz	RKSOHEQHOUMTGI-SOFGYWHQSA-N	0	0	476.341	5.996	40	5		JKBBRN
Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000008833303	554730556	/nfs/dbraw/zinc/73/05/56/554730556.db2.gz	PSWDWPXPJHARAK-QPJJXVBHSA-N	0	0	476.341	5.996	40	5		JKBBRN
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000008835284	554734216	/nfs/dbraw/zinc/73/42/16/554734216.db2.gz	LFPTUHJROJEIIT-UHFFFAOYSA-N	0	0	499.508	5.493	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1[N+](=O)[O-]	ZINC000008835497	554734576	/nfs/dbraw/zinc/73/45/76/554734576.db2.gz	OLKNSZOJXVFJNB-QPJJXVBHSA-N	0	0	492.340	5.697	40	5		JKBBRN
O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cccc([N+](=O)[O-])c1	ZINC000008835463	554734588	/nfs/dbraw/zinc/73/45/88/554734588.db2.gz	RTTMCFTZJCOCOY-UHFFFAOYSA-N	0	0	494.532	6.197	40	5		JKBBRN
O=C(C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)NNc1ccc([N+](=O)[O-])cc1	ZINC000008892883	554781284	/nfs/dbraw/zinc/78/12/84/554781284.db2.gz	UBZSZACGVGNTDO-JXMROGBWSA-N	0	0	477.329	5.193	40	5		JKBBRN
O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000008898657	554789407	/nfs/dbraw/zinc/78/94/07/554789407.db2.gz	IWTFCLLPVJTBAK-UHFFFAOYSA-N	0	0	480.735	5.777	40	5		JKBBRN
Cc1ccc2nc(-c3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)oc2c1	ZINC000008899242	554790016	/nfs/dbraw/zinc/79/00/16/554790016.db2.gz	IUXRYTYDBHHQOP-UHFFFAOYSA-N	0	0	473.872	6.877	40	5		JKBBRN
O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008899124	554790078	/nfs/dbraw/zinc/79/00/78/554790078.db2.gz	RBICCTVBYDYQHO-UHFFFAOYSA-N	0	0	497.338	6.562	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000008899281	554790232	/nfs/dbraw/zinc/79/02/32/554790232.db2.gz	JQFOMYREUJCBLS-UHFFFAOYSA-N	0	0	476.920	6.217	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000008899973	554791471	/nfs/dbraw/zinc/79/14/71/554791471.db2.gz	PAMSXLLXCIWTRD-UHFFFAOYSA-N	0	0	478.291	7.115	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000008900005	554791667	/nfs/dbraw/zinc/79/16/67/554791667.db2.gz	NSRRKLDSFAQJAV-UHFFFAOYSA-N	0	0	494.507	5.645	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000008900071	554791971	/nfs/dbraw/zinc/79/19/71/554791971.db2.gz	RSOJJCYMIVSTHW-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000008900297	554792394	/nfs/dbraw/zinc/79/23/94/554792394.db2.gz	RHKVFSVNKXPJES-UHFFFAOYSA-N	0	0	495.539	6.492	40	5		JKBBRN
O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008901510	554794784	/nfs/dbraw/zinc/79/47/84/554794784.db2.gz	JKYXSWMJMQTTRT-UHFFFAOYSA-N	0	0	499.354	5.116	40	5		JKBBRN
CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000008902983	554797017	/nfs/dbraw/zinc/79/70/17/554797017.db2.gz	QUZPSTZUIGWJTE-UHFFFAOYSA-N	0	0	484.556	6.769	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1OC	ZINC000008903892	554798179	/nfs/dbraw/zinc/79/81/79/554798179.db2.gz	BAEFMWWHXBFEFN-UHFFFAOYSA-N	0	0	488.500	5.273	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000008926565	554823560	/nfs/dbraw/zinc/82/35/60/554823560.db2.gz	OKLBBIIWLMVOBQ-UHFFFAOYSA-N	0	0	487.921	5.218	40	5		JKBBRN
COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1OC	ZINC000008974441	554845798	/nfs/dbraw/zinc/84/57/98/554845798.db2.gz	QDIXKEGDBTYJGN-WSZJRCBQSA-N	0	0	490.943	5.253	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccc(C)cc1	ZINC000008990021	554851577	/nfs/dbraw/zinc/85/15/77/554851577.db2.gz	LCMOHKGHOZHGMX-MTJSOVHGSA-N	0	0	492.915	5.879	40	5		JKBBRN
O=[N+]([O-])c1ccc(CSc2nnc3c4ccccc4n(Cc4ccccc4Cl)c3n2)cc1	ZINC000009010383	554863825	/nfs/dbraw/zinc/86/38/25/554863825.db2.gz	UMIRYRNADFZHGY-UHFFFAOYSA-N	0	0	461.934	5.882	40	5		JKBBRN
O=C(Cc1cccc2ccccc21)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000009062411	554879852	/nfs/dbraw/zinc/87/98/52/554879852.db2.gz	GDLQKISIXITLQB-UHFFFAOYSA-N	0	0	493.479	5.232	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1	ZINC000009062443	554879865	/nfs/dbraw/zinc/87/98/65/554879865.db2.gz	KSJMTQZJOMNWRK-UHFFFAOYSA-N	0	0	479.905	5.271	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-]	ZINC000009063984	554882004	/nfs/dbraw/zinc/88/20/04/554882004.db2.gz	SWLRKNZIIFJQGM-UHFFFAOYSA-N	0	0	465.922	5.227	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1[N+](=O)[O-]	ZINC000009200059	554971483	/nfs/dbraw/zinc/97/14/83/554971483.db2.gz	OOAHWRGKBHIDOU-UHFFFAOYSA-N	0	0	460.515	5.197	40	5		JKBBRN
O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000009200128	554971781	/nfs/dbraw/zinc/97/17/81/554971781.db2.gz	GFVRLAAZKCYXPQ-UHFFFAOYSA-N	0	0	480.933	5.542	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(F)cc1	ZINC000009232485	555004715	/nfs/dbraw/zinc/00/47/15/555004715.db2.gz	CDNAFZZMSFMIOK-YDZHTSKRSA-N	0	0	494.500	5.558	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000009232487	555004719	/nfs/dbraw/zinc/00/47/19/555004719.db2.gz	YJKCRIGRCHICGK-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1F	ZINC000009232491	555004759	/nfs/dbraw/zinc/00/47/59/555004759.db2.gz	PAIODWIULGGAPD-YDZHTSKRSA-N	0	0	494.500	5.558	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1	ZINC000009233109	555005798	/nfs/dbraw/zinc/00/57/98/555005798.db2.gz	PUQIOMBZMOYLAU-YDZHTSKRSA-N	0	0	494.500	5.558	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000009233630	555006679	/nfs/dbraw/zinc/00/66/79/555006679.db2.gz	BJAIXZCDTFJRKK-UDWIEESQSA-N	0	0	496.932	5.022	40	5		JKBBRN
Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3c(F)cccc3Cl)C2=O)c(C)c1	ZINC000009344767	555110061	/nfs/dbraw/zinc/11/00/61/555110061.db2.gz	XRNUNXKWWYCCAH-ZLNRFVROSA-N	0	0	495.894	5.055	40	5		JKBBRN
O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000009570932	555368675	/nfs/dbraw/zinc/36/86/75/555368675.db2.gz	UFTITDHAEBJGHD-UHFFFAOYSA-N	0	0	497.939	5.290	40	5		JKBBRN
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NCc2ccccc2)cc1	ZINC000013304863	555374295	/nfs/dbraw/zinc/37/42/95/555374295.db2.gz	ZEQOZTHGNBJUNH-UQQQWYQISA-N	0	0	481.508	5.251	40	5		JKBBRN
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)N(c1ccccc1)c1ccc2ccccc2c1	ZINC000013372488	555393003	/nfs/dbraw/zinc/39/30/03/555393003.db2.gz	UIVXUBOHXNEVQE-UHFFFAOYSA-N	0	0	482.521	6.255	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013388391	555394173	/nfs/dbraw/zinc/39/41/73/555394173.db2.gz	ASCIWFDYUPFCSF-UHFFFAOYSA-N	0	0	481.530	5.181	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21	ZINC000013388943	555394372	/nfs/dbraw/zinc/39/43/72/555394372.db2.gz	KVLTUAORPMWDPX-UHFFFAOYSA-N	0	0	464.934	5.898	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2c(C)cccc12	ZINC000013400439	555395814	/nfs/dbraw/zinc/39/58/14/555395814.db2.gz	STKXSQJWQGQEHZ-UHFFFAOYSA-N	0	0	460.515	5.253	40	5		JKBBRN
Cc1sc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n(-c3ccccc3)c(=O)c2c1C	ZINC000013400365	555395833	/nfs/dbraw/zinc/39/58/33/555395833.db2.gz	JNEXBKTYDBBSLP-UHFFFAOYSA-N	0	0	480.571	5.011	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3)c2C)n1Cc1cccc([N+](=O)[O-])c1	ZINC000013500048	555436012	/nfs/dbraw/zinc/43/60/12/555436012.db2.gz	MYVDUNQXOGASSU-UHFFFAOYSA-N	0	0	458.522	5.683	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)Nc3ccc(Cl)cc3)c2C)n1Cc1cccc([N+](=O)[O-])c1	ZINC000013500047	555436058	/nfs/dbraw/zinc/43/60/58/555436058.db2.gz	DACOKQSUASPOJE-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013509781	555481766	/nfs/dbraw/zinc/48/17/66/555481766.db2.gz	OWGKPLHFWQHVBD-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-]	ZINC000013509739	555481771	/nfs/dbraw/zinc/48/17/71/555481771.db2.gz	OWIJYUSOKDTLDO-UHFFFAOYSA-N	0	0	472.549	5.361	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000013509753	555481783	/nfs/dbraw/zinc/48/17/83/555481783.db2.gz	IKYYXTKHQFEDGB-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013509775	555481789	/nfs/dbraw/zinc/48/17/89/555481789.db2.gz	OPXNPHWZWNCLHD-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000013509747	555481836	/nfs/dbraw/zinc/48/18/36/555481836.db2.gz	AHWFDAHZZGDFFK-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C(C)C)cc2)cc1	ZINC000019856416	555515384	/nfs/dbraw/zinc/51/53/84/555515384.db2.gz	MZTKKHKBLRCJEF-UHFFFAOYSA-N	0	0	481.574	5.169	40	5		JKBBRN
Cc1ccc(CN(c2ccc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3c2)S(C)(=O)=O)cc1	ZINC000013584241	555521706	/nfs/dbraw/zinc/52/17/06/555521706.db2.gz	SAYYWVBFIJJVGM-UHFFFAOYSA-N	0	0	495.582	5.336	40	5		JKBBRN
COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl	ZINC000013609686	555533114	/nfs/dbraw/zinc/53/31/14/555533114.db2.gz	BOUPERIUYMWGSB-UHFFFAOYSA-N	0	0	463.877	5.306	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000019927321	555542247	/nfs/dbraw/zinc/54/22/47/555542247.db2.gz	WUSJYBHOFONUOQ-UHFFFAOYSA-N	0	0	454.689	5.036	40	5		JKBBRN
Cc1ccc(C)c(-c2nn(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)c1	ZINC000013633026	555543116	/nfs/dbraw/zinc/54/31/16/555543116.db2.gz	VOEKPUWCPXUEKK-UHFFFAOYSA-N	0	0	454.530	5.568	40	5		JKBBRN
O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000019928105	555543181	/nfs/dbraw/zinc/54/31/81/555543181.db2.gz	LMWZEQDMXXJCAO-UHFFFAOYSA-N	0	0	459.698	5.336	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)nc21	ZINC000010010639	555593083	/nfs/dbraw/zinc/59/30/83/555593083.db2.gz	SAIRUBKKZKSUKT-UHFFFAOYSA-N	0	0	464.286	6.032	40	5		JKBBRN
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000010041478	555605963	/nfs/dbraw/zinc/60/59/63/555605963.db2.gz	WTZRWOGIZDMOMH-UHFFFAOYSA-N	0	0	496.519	5.379	40	5		JKBBRN
O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000010120081	555632022	/nfs/dbraw/zinc/63/20/22/555632022.db2.gz	ZSLFSKLVNXSNNI-UHFFFAOYSA-N	0	0	456.502	5.569	40	5		JKBBRN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2Cl)cc1	ZINC000020111129	555647785	/nfs/dbraw/zinc/64/77/85/555647785.db2.gz	SZHNXVFLBDKFTO-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)o2)c([N+](=O)[O-])c1	ZINC000020140604	555663323	/nfs/dbraw/zinc/66/33/23/555663323.db2.gz	NMTAGAHGMSGFQF-UHFFFAOYSA-N	0	0	452.850	5.821	40	5		JKBBRN
O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000020142800	555663874	/nfs/dbraw/zinc/66/38/74/555663874.db2.gz	VYCSMTMFJWQMKJ-UHFFFAOYSA-N	0	0	455.898	5.243	40	5		JKBBRN
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)CC1	ZINC000020142854	555663899	/nfs/dbraw/zinc/66/38/99/555663899.db2.gz	FBVBWSSDSQZNAM-UHFFFAOYSA-N	0	0	469.925	5.489	40	5		JKBBRN
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000020145342	555664374	/nfs/dbraw/zinc/66/43/74/555664374.db2.gz	IHHLNXLLZLGHKI-UKTHLTGXSA-N	0	0	460.442	5.268	40	5		JKBBRN
COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1-c1ccc(CO)o1	ZINC000020145346	555664391	/nfs/dbraw/zinc/66/43/91/555664391.db2.gz	WUBVMGMTEVYNRN-UKTHLTGXSA-N	0	0	460.442	5.268	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)o1	ZINC000020151056	555667911	/nfs/dbraw/zinc/66/79/11/555667911.db2.gz	FTHPUDCKQDTVML-IZZDOVSWSA-N	0	0	478.888	6.221	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000020151018	555667965	/nfs/dbraw/zinc/66/79/65/555667965.db2.gz	HGUYEMJYIUOYPR-IZZDOVSWSA-N	0	0	478.888	6.221	40	5		JKBBRN
COc1cc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)ccc1-c1ccc(CO)o1	ZINC000020151061	555667972	/nfs/dbraw/zinc/66/79/72/555667972.db2.gz	IPJBRNFRTBEYDE-KPKJPENVSA-N	0	0	474.469	5.576	40	5		JKBBRN
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Br)cc1	ZINC000014071321	555679255	/nfs/dbraw/zinc/67/92/55/555679255.db2.gz	RABRWYHFDFHCNV-UHFFFAOYSA-N	0	0	496.774	5.020	40	5		JKBBRN
Brc1ccc(-c2cc(-c3ccc(Br)cc3)c3c(ccc4ccccc43)n2)cc1	ZINC000010372575	555700575	/nfs/dbraw/zinc/70/05/75/555700575.db2.gz	DZTIVJCFHWIKCA-UHFFFAOYSA-N	0	0	489.210	8.247	40	5		JKBBRN
O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014269548	555759490	/nfs/dbraw/zinc/75/94/90/555759490.db2.gz	VQRINNPTFXZXFQ-UHFFFAOYSA-N	0	0	472.570	5.283	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cccc([N+](=O)[O-])c1	ZINC000014269792	555760339	/nfs/dbraw/zinc/76/03/39/555760339.db2.gz	YYLCBUIQXHBYEP-RMKNXTFCSA-N	0	0	462.314	5.688	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000014269972	555760684	/nfs/dbraw/zinc/76/06/84/555760684.db2.gz	LVDGEHCZNZYBFC-UHFFFAOYSA-N	0	0	466.302	5.297	40	5		JKBBRN
Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3s2)c1O	ZINC000014270225	555761864	/nfs/dbraw/zinc/76/18/64/555761864.db2.gz	VTYNFVHSHRTABG-UHFFFAOYSA-N	0	0	464.528	5.012	40	5		JKBBRN
CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1	ZINC000014271127	555765255	/nfs/dbraw/zinc/76/52/55/555765255.db2.gz	GEPPCCFLWPCUHU-UHFFFAOYSA-N	0	0	452.536	5.136	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccccc2)cc1	ZINC000011196576	555766010	/nfs/dbraw/zinc/76/60/10/555766010.db2.gz	RCZHTKUKVBYCGR-UHFFFAOYSA-N	0	0	459.531	5.190	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl	ZINC000014271965	555768199	/nfs/dbraw/zinc/76/81/99/555768199.db2.gz	UGOSEEIGOIODGX-XBXARRHUSA-N	0	0	455.257	5.757	40	5		JKBBRN
Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000014272034	555768515	/nfs/dbraw/zinc/76/85/15/555768515.db2.gz	FRQNINZMRBPHDC-UHFFFAOYSA-N	0	0	458.326	6.739	40	5		JKBBRN
Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2cc1C	ZINC000014272386	555769698	/nfs/dbraw/zinc/76/96/98/555769698.db2.gz	OYMPKUZELVFQSA-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1	ZINC000014272722	555770804	/nfs/dbraw/zinc/77/08/04/555770804.db2.gz	OKFMKQCKTNUZNU-UHFFFAOYSA-N	0	0	467.485	5.712	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)c(C)c1	ZINC000014272786	555771070	/nfs/dbraw/zinc/77/10/70/555771070.db2.gz	UNHFGXXPFRCLJZ-UHFFFAOYSA-N	0	0	458.522	5.044	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1	ZINC000014273959	555775369	/nfs/dbraw/zinc/77/53/69/555775369.db2.gz	LVZAVGQVHLLKOD-UHFFFAOYSA-N	0	0	479.901	5.148	40	5		JKBBRN
Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cccc1[N+](=O)[O-]	ZINC000014274514	555777114	/nfs/dbraw/zinc/77/71/14/555777114.db2.gz	VNLIDXFHRKUMMR-PKNBQFBNSA-N	0	0	476.341	5.996	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F	ZINC000014274583	555777315	/nfs/dbraw/zinc/77/73/15/555777315.db2.gz	QZZQXFRIDPYJPL-XBXARRHUSA-N	0	0	480.304	5.827	40	5		JKBBRN
O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014274752	555778002	/nfs/dbraw/zinc/77/80/02/555778002.db2.gz	XOWQIPBTWQJIIY-UHFFFAOYSA-N	0	0	473.769	5.282	40	5		JKBBRN
COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014274835	555778232	/nfs/dbraw/zinc/77/82/32/555778232.db2.gz	LYQSLCDLQADLQG-UHFFFAOYSA-N	0	0	494.754	5.299	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000014274986	555778900	/nfs/dbraw/zinc/77/89/00/555778900.db2.gz	PVPZVTVQTGNNMT-QPJJXVBHSA-N	0	0	476.341	5.996	40	5		JKBBRN
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2cccc(Cl)c2)o1	ZINC000014275242	555780109	/nfs/dbraw/zinc/78/01/09/555780109.db2.gz	CRDVFLZGXULOIK-UHFFFAOYSA-N	0	0	480.727	5.398	40	5		JKBBRN
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000014275474	555780923	/nfs/dbraw/zinc/78/09/23/555780923.db2.gz	HTFJNRCHSFFQJE-UHFFFAOYSA-N	0	0	499.508	5.493	40	5		JKBBRN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000014275539	555781199	/nfs/dbraw/zinc/78/11/99/555781199.db2.gz	PQPHEBALBOKLQP-UHFFFAOYSA-N	0	0	490.541	5.662	40	5		JKBBRN
CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1[N+](=O)[O-]	ZINC000014275562	555781202	/nfs/dbraw/zinc/78/12/02/555781202.db2.gz	XIORICFZGPMVKC-UHFFFAOYSA-N	0	0	490.541	5.545	40	5		JKBBRN
O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(OCc2ccccc2)c1	ZINC000014275684	555781358	/nfs/dbraw/zinc/78/13/58/555781358.db2.gz	GCSLLVRLLJICQX-UHFFFAOYSA-N	0	0	490.566	5.424	40	5		JKBBRN
Cc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2cc1Cl	ZINC000014275621	555781408	/nfs/dbraw/zinc/78/14/08/555781408.db2.gz	ACBLXJYWJXNTFV-UHFFFAOYSA-N	0	0	490.010	5.283	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014275990	555782583	/nfs/dbraw/zinc/78/25/83/555782583.db2.gz	GKNNWTJOWHNYKQ-UHFFFAOYSA-N	0	0	486.903	5.384	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014277493	555786030	/nfs/dbraw/zinc/78/60/30/555786030.db2.gz	HGQRRAAQFHCGEC-UHFFFAOYSA-N	0	0	474.542	5.733	40	5		JKBBRN
O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014277505	555786083	/nfs/dbraw/zinc/78/60/83/555786083.db2.gz	YCJFMVLTRKAMKW-UHFFFAOYSA-N	0	0	478.961	6.377	40	5		JKBBRN
O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000014277673	555786647	/nfs/dbraw/zinc/78/66/47/555786647.db2.gz	WGAFHUKBZDYWNM-UHFFFAOYSA-N	0	0	475.913	7.037	40	5		JKBBRN
O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014277665	555786672	/nfs/dbraw/zinc/78/66/72/555786672.db2.gz	QEKDQHITBORGQB-UHFFFAOYSA-N	0	0	478.961	6.377	40	5		JKBBRN
O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014277795	555786811	/nfs/dbraw/zinc/78/68/11/555786811.db2.gz	IGSAKZMRTWVWQW-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000020356930	555787235	/nfs/dbraw/zinc/78/72/35/555787235.db2.gz	AYJIIOXURCCELN-UHFFFAOYSA-N	0	0	490.951	5.533	40	5		JKBBRN
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000020410848	555787811	/nfs/dbraw/zinc/78/78/11/555787811.db2.gz	ASKZAROZFGNMBQ-UHFFFAOYSA-N	0	0	462.289	5.251	40	5		JKBBRN
COc1c(Br)c2ccccc2cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000014278168	555788008	/nfs/dbraw/zinc/78/80/08/555788008.db2.gz	LCDSUOWSRSPANT-UHFFFAOYSA-N	0	0	484.331	5.895	40	5		JKBBRN
CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1	ZINC000020411497	555789003	/nfs/dbraw/zinc/78/90/03/555789003.db2.gz	DICVZMOJQZPVRL-JLHYYAGUSA-N	0	0	491.525	6.073	40	5		JKBBRN
O=C1C(=Cc2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000020470340	555791710	/nfs/dbraw/zinc/79/17/10/555791710.db2.gz	AKMPZALAOLBPLF-YJXRAILPSA-N	0	0	485.283	5.486	40	5		JKBBRN
CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1	ZINC000014291164	555792502	/nfs/dbraw/zinc/79/25/02/555792502.db2.gz	CNVLHWNKSMSPBV-UHFFFAOYSA-N	0	0	496.951	5.065	40	5		JKBBRN
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000014404903	555807406	/nfs/dbraw/zinc/80/74/06/555807406.db2.gz	OXXOWEQMXCMZGG-LFIBNONCSA-N	0	0	481.512	5.302	40	5		JKBBRN
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000014405189	555807699	/nfs/dbraw/zinc/80/76/99/555807699.db2.gz	HNNGNTZGIWXQAH-FOCLMDBBSA-N	0	0	481.512	5.302	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	ZINC000014413324	555812605	/nfs/dbraw/zinc/81/26/05/555812605.db2.gz	NXCBSXQZDRGTHN-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
O=C(Nc1ccccc1Sc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000014413640	555812969	/nfs/dbraw/zinc/81/29/69/555812969.db2.gz	MGJQVBCXXBCRMH-LYBHJNIJSA-N	0	0	452.535	6.925	40	5		JKBBRN
O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Br)cc2)c1	ZINC000014944054	555841449	/nfs/dbraw/zinc/84/14/49/555841449.db2.gz	WSUBAFRGFYFVSD-JLHYYAGUSA-N	0	0	462.303	6.050	40	5		JKBBRN
COc1cccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)c1	ZINC000021579223	555851861	/nfs/dbraw/zinc/85/18/61/555851861.db2.gz	UXUCJCIGQOZWGF-UHFFFAOYSA-N	0	0	479.901	6.532	40	5		JKBBRN
COc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)c1	ZINC000021579254	555851866	/nfs/dbraw/zinc/85/18/66/555851866.db2.gz	KWPNBFUWRJLFAW-UHFFFAOYSA-N	0	0	472.501	5.654	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)ccc3OC)o2)c([N+](=O)[O-])c1	ZINC000021580697	555852471	/nfs/dbraw/zinc/85/24/71/555852471.db2.gz	NQUZSIRARDLVQS-UHFFFAOYSA-N	0	0	484.468	5.668	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000021580623	555852482	/nfs/dbraw/zinc/85/24/82/555852482.db2.gz	LULKCLZPHXWIPH-NTCAYCPXSA-N	0	0	480.480	6.059	40	5		JKBBRN
O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000021595689	555853582	/nfs/dbraw/zinc/85/35/82/555853582.db2.gz	BILQLXYCRZRKBS-UHFFFAOYSA-N	0	0	467.869	5.588	40	5		JKBBRN
Cc1c(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000015022723	555864382	/nfs/dbraw/zinc/86/43/82/555864382.db2.gz	SDHFEMLRZYMYMM-DQSJHHFOSA-N	0	0	497.580	5.203	40	5		JKBBRN
O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(C2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000015228167	555887817	/nfs/dbraw/zinc/88/78/17/555887817.db2.gz	RUUOTWGDLWMEHE-UHFFFAOYSA-N	0	0	490.468	5.989	40	5		JKBBRN
COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2ccccc2C)cc1OC	ZINC000015276823	555892259	/nfs/dbraw/zinc/89/22/59/555892259.db2.gz	NFQUPIQXBPZGHA-RQZHXJHFSA-N	0	0	475.570	5.926	40	5		JKBBRN
O=[N+]([O-])c1ccc(Oc2ccc(Cn3c(-c4ccccc4)nnc3-c3ccccc3)cc2)c(Cl)c1	ZINC000015318921	555897233	/nfs/dbraw/zinc/89/72/33/555897233.db2.gz	OCLWCNZHONOSCL-UHFFFAOYSA-N	0	0	482.927	7.014	40	5		JKBBRN
CCCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1	ZINC000022257604	555905329	/nfs/dbraw/zinc/90/53/29/555905329.db2.gz	DLUQGXTYTATXOK-UHFFFAOYSA-N	0	0	479.320	5.078	40	5		JKBBRN
COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000022532665	555932421	/nfs/dbraw/zinc/93/24/21/555932421.db2.gz	KWFJGTYBPULFOD-UHFFFAOYSA-N	0	0	451.866	5.934	40	5		JKBBRN
Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000022537783	555934179	/nfs/dbraw/zinc/93/41/79/555934179.db2.gz	MHTIYINWBDIBQV-JXMROGBWSA-N	0	0	455.923	5.651	40	5		JKBBRN
Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)cc1I	ZINC000022563410	555934853	/nfs/dbraw/zinc/93/48/53/555934853.db2.gz	AZOZCMSWEVRFPX-GQCTYLIASA-N	0	0	456.667	5.122	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000022576320	555938671	/nfs/dbraw/zinc/93/86/71/555938671.db2.gz	YRESQNUVIKGWFC-ONNFQVAWSA-N	0	0	465.893	5.067	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1C	ZINC000022708176	555944805	/nfs/dbraw/zinc/94/48/05/555944805.db2.gz	JVEPIXAGQRRSJG-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022712116	555945932	/nfs/dbraw/zinc/94/59/32/555945932.db2.gz	HQSMPRAIYQEVFO-JLHYYAGUSA-N	0	0	475.936	5.977	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1Cl	ZINC000022712273	555946286	/nfs/dbraw/zinc/94/62/86/555946286.db2.gz	WRWRSWGFVFGUSH-RMKNXTFCSA-N	0	0	476.341	5.996	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022715470	555947143	/nfs/dbraw/zinc/94/71/43/555947143.db2.gz	MHFYDJDEOOJMAS-UHFFFAOYSA-N	0	0	478.940	5.389	40	5		JKBBRN
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000012318970	555951177	/nfs/dbraw/zinc/95/11/77/555951177.db2.gz	WKFVJEUYHNQGMM-REIDKSKDSA-N	0	0	467.518	5.252	40	5		JKBBRN
COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-]	ZINC000022753394	555953380	/nfs/dbraw/zinc/95/33/80/555953380.db2.gz	BSQIZVBFCAZMKY-UHFFFAOYSA-N	0	0	494.554	5.021	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000022757649	555954379	/nfs/dbraw/zinc/95/43/79/555954379.db2.gz	UMSGLXIGHNNFEE-UHFFFAOYSA-N	0	0	497.338	6.562	40	5		JKBBRN
O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(Br)ccc1Cl	ZINC000022758461	555954777	/nfs/dbraw/zinc/95/47/77/555954777.db2.gz	JHOWIGAMTNDHEW-UHFFFAOYSA-N	0	0	497.783	5.261	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1Cl	ZINC000022819749	555955026	/nfs/dbraw/zinc/95/50/26/555955026.db2.gz	YURDETHLQCFXCS-RMKNXTFCSA-N	0	0	498.973	5.953	40	5		JKBBRN
Cc1nn(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)c(C)c1[N+](=O)[O-]	ZINC000012372199	555961913	/nfs/dbraw/zinc/96/19/13/555961913.db2.gz	NKTFNPWRZPNVGT-UHFFFAOYSA-N	0	0	454.530	5.299	40	5		JKBBRN
CCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1	ZINC000012707585	556104129	/nfs/dbraw/zinc/10/41/29/556104129.db2.gz	SLSMTOCWWMLYME-UHFFFAOYSA-N	0	0	465.307	5.190	40	5		JKBBRN
O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	ZINC000012834096	556116452	/nfs/dbraw/zinc/11/64/52/556116452.db2.gz	QXWRLXLCKNTYNA-UHFFFAOYSA-N	0	0	492.491	5.519	40	5		JKBBRN
COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000012844486	556117113	/nfs/dbraw/zinc/11/71/13/556117113.db2.gz	KJTVRMFIVTURSH-LBPRGKRZSA-N	0	0	478.452	5.199	40	5		JKBBRN
COc1ccc(Nc2nc(/C=C/c3ccccc3)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1	ZINC000016217173	556129858	/nfs/dbraw/zinc/12/98/58/556129858.db2.gz	LHYQUIFQHYEKJV-CAOOACKPSA-N	0	0	469.501	6.060	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O	ZINC000016282431	556132537	/nfs/dbraw/zinc/13/25/37/556132537.db2.gz	NARYFJLOBWTZJM-UHFFFAOYSA-N	0	0	453.248	5.259	40	5		JKBBRN
Cc1cc2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Br)nc2cc1Cl	ZINC000016284264	556132707	/nfs/dbraw/zinc/13/27/07/556132707.db2.gz	DSICIWKHEJLKGK-UHFFFAOYSA-N	0	0	485.772	5.056	40	5		JKBBRN
COc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1[N+](=O)[O-]	ZINC000016284426	556132965	/nfs/dbraw/zinc/13/29/65/556132965.db2.gz	YXPVNFHCIMRCFC-UHFFFAOYSA-N	0	0	453.458	5.051	40	5		JKBBRN
O=C(CCSc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2cnc3ccccc3n2)c1	ZINC000024522308	556133370	/nfs/dbraw/zinc/13/33/70/556133370.db2.gz	FGZPBZQKRVKYAJ-UHFFFAOYSA-N	0	0	464.934	5.979	40	5		JKBBRN
CC(=O)Nc1ccc(Br)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000016321392	556134854	/nfs/dbraw/zinc/13/48/54/556134854.db2.gz	ADSBSZAJQIGWRQ-UHFFFAOYSA-N	0	0	485.290	5.465	40	5		JKBBRN
CC(=O)c1ccc(SCCCCCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000016321911	556135425	/nfs/dbraw/zinc/13/54/25/556135425.db2.gz	ADTIBKJIRAJPPK-UHFFFAOYSA-N	0	0	476.576	6.353	40	5		JKBBRN
Cc1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000016347544	556135989	/nfs/dbraw/zinc/13/59/89/556135989.db2.gz	BQCLATSJMDLFCN-UHFFFAOYSA-N	0	0	480.433	5.309	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)oc2c1	ZINC000016348643	556136378	/nfs/dbraw/zinc/13/63/78/556136378.db2.gz	NAVMODMJWWKRRX-UHFFFAOYSA-N	0	0	453.454	5.901	40	5		JKBBRN
O=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2cccc(Cl)c2)c1	ZINC000016398992	556137252	/nfs/dbraw/zinc/13/72/52/556137252.db2.gz	PHUNNENDINMDDG-UHFFFAOYSA-N	0	0	460.277	6.190	40	5		JKBBRN
O=[N+]([O-])c1ccc([C@@H]2N(c3ccccc3)N=C(c3ccccc3)N2c2ccc(Cl)cc2)cc1	ZINC000016478045	556140039	/nfs/dbraw/zinc/14/00/39/556140039.db2.gz	TWXFHGWLUBQADO-SANMLTNESA-N	0	0	454.917	6.635	40	5		JKBBRN
O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)N(c1ccccc1)c1ccc2ccccc2c1	ZINC000016487867	556140630	/nfs/dbraw/zinc/14/06/30/556140630.db2.gz	ZWENDLTYXXCZMZ-UHFFFAOYSA-N	0	0	457.511	5.366	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccc1Br	ZINC000016491977	556141179	/nfs/dbraw/zinc/14/11/79/556141179.db2.gz	TWPJBKUWMWRAGY-UHFFFAOYSA-N	0	0	480.343	6.400	40	5		JKBBRN
O=[N+]([O-])c1ccc(Oc2ccc(COc3ccc(-c4cnc5ccccc5n4)cc3)cc2)c(Cl)c1	ZINC000016545606	556143068	/nfs/dbraw/zinc/14/30/68/556143068.db2.gz	KOWNPLSOTSSLQS-UHFFFAOYSA-N	0	0	483.911	7.230	40	5		JKBBRN
CC1(C)C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000016577730	556145492	/nfs/dbraw/zinc/14/54/92/556145492.db2.gz	QASRUQBWIJSWCO-KOSHJBKYSA-N	0	0	498.540	5.031	40	5		JKBBRN
CC1(C)C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000016577724	556145616	/nfs/dbraw/zinc/14/56/16/556145616.db2.gz	QASRUQBWIJSWCO-HOYKHHGWSA-N	0	0	498.540	5.031	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1[N+](=O)[O-]	ZINC000016610821	556146647	/nfs/dbraw/zinc/14/66/47/556146647.db2.gz	IETZOBDZSHAQBN-MRXNPFEDSA-N	0	0	459.502	6.568	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)c3)nc2c1	ZINC000016610768	556146665	/nfs/dbraw/zinc/14/66/65/556146665.db2.gz	XDOGACSGHWBHGZ-AWEZNQCLSA-N	0	0	494.345	6.931	40	5		JKBBRN
CCO[P@@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1	ZINC000016688044	556151813	/nfs/dbraw/zinc/15/18/13/556151813.db2.gz	SIAZUKNREOTDBD-XSJBNIOMSA-N	0	0	480.417	5.741	40	5		JKBBRN
CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000016688597	556152483	/nfs/dbraw/zinc/15/24/83/556152483.db2.gz	SKTZHPZNJZMAIH-FYJGNVAPSA-N	0	0	493.903	5.323	40	5		JKBBRN
Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@H](Sc2ccc([N+](=O)[O-])cc2)CS1	ZINC000016779178	556159186	/nfs/dbraw/zinc/15/91/86/556159186.db2.gz	UOQVQXFGBAILGX-QUCCMNQESA-N	0	0	481.624	5.839	40	5		JKBBRN
CCCC/C(Br)=C(\Br)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000016951886	556183963	/nfs/dbraw/zinc/18/39/63/556183963.db2.gz	QOICWSKPFGEAMF-BUHFOSPRSA-N	0	0	480.109	5.242	40	5		JKBBRN
CC(C)(C)[C@@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1	ZINC000017253638	556248269	/nfs/dbraw/zinc/24/82/69/556248269.db2.gz	DZQLBFSYEPOYJZ-NPWPFVJVSA-N	0	0	471.557	5.909	40	5		JKBBRN
Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccc(Cl)cc1	ZINC000026787011	556263302	/nfs/dbraw/zinc/26/33/02/556263302.db2.gz	AFRARCWKNRXJGK-UHFFFAOYSA-N	0	0	488.949	5.471	40	5		JKBBRN
Cc1cc(C)c2cc3c(nc2c1)sc1c3ncnc1SCC(=O)N1c2ccccc2C[C@H]1C	ZINC000013086131	556285852	/nfs/dbraw/zinc/28/58/52/556285852.db2.gz	UQKDWTUFJJQMQP-MRXNPFEDSA-N	0	0	470.623	6.079	40	5		JKBBRN
O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)Nc1nc2c(s1)CCCC2	ZINC000013086142	556285873	/nfs/dbraw/zinc/28/58/73/556285873.db2.gz	SMJBMTKANDXJDO-UHFFFAOYSA-N	0	0	463.613	5.459	40	5		JKBBRN
C[C@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@H](C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000013134061	556361296	/nfs/dbraw/zinc/36/12/96/556361296.db2.gz	MFWWICBCDMOQEH-GEYWLOKFSA-N	0	0	480.590	5.421	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-]	ZINC000032112072	556421057	/nfs/dbraw/zinc/42/10/57/556421057.db2.gz	ZMHRXOXYTZHGSL-UHFFFAOYSA-N	0	0	459.458	5.553	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-]	ZINC000032114924	556421832	/nfs/dbraw/zinc/42/18/32/556421832.db2.gz	WOBZLDXIKVQMHT-UHFFFAOYSA-N	0	0	488.525	5.337	40	5		JKBBRN
Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032115174	556422137	/nfs/dbraw/zinc/42/21/37/556422137.db2.gz	ZIRDQRIEAGQRCD-UHFFFAOYSA-N	0	0	474.498	5.029	40	5		JKBBRN
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1	ZINC000032115379	556422512	/nfs/dbraw/zinc/42/25/12/556422512.db2.gz	RJZAHSDTIRZZOS-UHFFFAOYSA-N	0	0	459.792	5.352	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1Br	ZINC000032115632	556423001	/nfs/dbraw/zinc/42/30/01/556423001.db2.gz	PCSMSNOAAHOQPB-UHFFFAOYSA-N	0	0	468.263	5.426	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)ccc3o2)cc1C	ZINC000032116610	556424547	/nfs/dbraw/zinc/42/45/47/556424547.db2.gz	LLPVTEMVONJULW-UHFFFAOYSA-N	0	0	466.291	6.035	40	5		JKBBRN
CCCCc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(Cl)c([N+](=O)[O-])c3)sc2c1	ZINC000032119145	556426052	/nfs/dbraw/zinc/42/60/52/556426052.db2.gz	GOXADVANWSXGSH-JXMROGBWSA-N	0	0	474.995	5.727	40	5		JKBBRN
CCCCc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Br)sc2c1	ZINC000032119191	556426054	/nfs/dbraw/zinc/42/60/54/556426054.db2.gz	WCKRGTSTZVXOKI-UHFFFAOYSA-N	0	0	493.408	5.436	40	5		JKBBRN
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O	ZINC000032124717	556427692	/nfs/dbraw/zinc/42/76/92/556427692.db2.gz	YXDBSQGEDSTOPE-GEYIUBJWSA-N	0	0	486.571	5.432	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124905	556428126	/nfs/dbraw/zinc/42/81/26/556428126.db2.gz	YVWQBULSUWPIOY-XKZIYDEJSA-N	0	0	496.997	6.944	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124903	556428170	/nfs/dbraw/zinc/42/81/70/556428170.db2.gz	CWZNJKAHJHLRAL-KQWNVCNZSA-N	0	0	476.579	6.333	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc(-c3nc4cc([C@H](C)CC)ccc4o3)ccc2Cl)cc1[N+](=O)[O-]	ZINC000032125134	556428794	/nfs/dbraw/zinc/42/87/94/556428794.db2.gz	JEUAGCMVNSWWCS-OAHLLOKOSA-N	0	0	493.947	7.221	40	5		JKBBRN
COc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Cl	ZINC000032126499	556430479	/nfs/dbraw/zinc/43/04/79/556430479.db2.gz	CEGSTOJNGSZFBI-UHFFFAOYSA-N	0	0	488.934	5.253	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)/C(=C\COc1ccc3ccccc3c1Br)O2	ZINC000032931800	556546938	/nfs/dbraw/zinc/54/69/38/556546938.db2.gz	ZTMQNHWQGYRVGS-WJVILSIQSA-N	0	0	497.345	5.239	40	5		JKBBRN
CCc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1	ZINC000057312836	569596335	/nfs/dbraw/zinc/59/63/35/569596335.db2.gz	AGRHOKQIVVAKTR-UHFFFAOYSA-N	0	0	477.929	7.086	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1	ZINC000057313011	569596432	/nfs/dbraw/zinc/59/64/32/569596432.db2.gz	QDYHMXYSKUWNKH-UHFFFAOYSA-N	0	0	472.570	6.360	40	5		JKBBRN
CCOC(=O)c1c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)sc2c1CCCC2	ZINC000057312888	569596483	/nfs/dbraw/zinc/59/64/83/569596483.db2.gz	BDCJPSUWDNZRJW-UHFFFAOYSA-N	0	0	471.579	5.200	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc2c(ccc(Cl)c2Cl)s1	ZINC000057313372	569596565	/nfs/dbraw/zinc/59/65/65/569596565.db2.gz	VTWGFEWSYSOMPG-UXBLZVDNSA-N	0	0	460.298	6.423	40	5		JKBBRN
Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)nn12	ZINC000057314084	569596827	/nfs/dbraw/zinc/59/68/27/569596827.db2.gz	XPHLWCCOYVXFAH-UHFFFAOYSA-N	0	0	484.950	5.498	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1C	ZINC000057313904	569596854	/nfs/dbraw/zinc/59/68/54/569596854.db2.gz	LVOXNYOLLOGDCD-UHFFFAOYSA-N	0	0	477.929	7.140	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5cc(Cl)ccc5o4)cc3)cc2[N+](=O)[O-])CC1	ZINC000057315662	569597122	/nfs/dbraw/zinc/59/71/22/569597122.db2.gz	HEYCMIDGKXPSBX-UHFFFAOYSA-N	0	0	490.947	6.545	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1I	ZINC000057315717	569597284	/nfs/dbraw/zinc/59/72/84/569597284.db2.gz	DSVJREIUHQFVPB-ZRDIBKRKSA-N	0	0	460.227	5.111	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cccnc5)nc4c3)cc2[N+](=O)[O-])CC1	ZINC000057316194	569597475	/nfs/dbraw/zinc/59/74/75/569597475.db2.gz	YZEKNTVQDKDEJO-UHFFFAOYSA-N	0	0	457.490	5.287	40	5		JKBBRN
O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000057317005	569598239	/nfs/dbraw/zinc/59/82/39/569598239.db2.gz	CRLLYMHPWMWWSW-UHFFFAOYSA-N	0	0	467.275	5.807	40	5		JKBBRN
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	ZINC000059294292	569602423	/nfs/dbraw/zinc/60/24/23/569602423.db2.gz	CSIOCEIIFBIPHC-UHFFFAOYSA-N	0	0	471.517	5.595	40	5		JKBBRN
Cc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(C)c3)nn12	ZINC000059294197	569602487	/nfs/dbraw/zinc/60/24/87/569602487.db2.gz	OREGZCKNPJYPTB-FMIVXFBMSA-N	0	0	486.513	5.290	40	5		JKBBRN
COc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1	ZINC000059294365	569602500	/nfs/dbraw/zinc/60/25/00/569602500.db2.gz	ARHKGXXLSQSVMG-SDNWHVSQSA-N	0	0	481.464	6.324	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(NC(=O)c2cccs2)cc1	ZINC000059294428	569602516	/nfs/dbraw/zinc/60/25/16/569602516.db2.gz	ZWLGGVPBGBCVMT-WYMLVPIESA-N	0	0	459.483	5.821	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5Cl)nc4c3)cc2[N+](=O)[O-])CC1	ZINC000059294316	569602530	/nfs/dbraw/zinc/60/25/30/569602530.db2.gz	WLOIMPOQACLXFS-UHFFFAOYSA-N	0	0	490.947	6.545	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000059418226	569603108	/nfs/dbraw/zinc/60/31/08/569603108.db2.gz	ATRXZYFZHANRHL-GIJQJNRQSA-N	0	0	495.727	7.056	40	5		JKBBRN
O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000059459246	569604092	/nfs/dbraw/zinc/60/40/92/569604092.db2.gz	HEOUBEJMEXLVMX-UHFFFAOYSA-N	0	0	450.800	6.098	40	5		JKBBRN
O=C1S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	ZINC000059459839	569604244	/nfs/dbraw/zinc/60/42/44/569604244.db2.gz	DQMYMPSCZGJAIJ-JAIQZWGSSA-N	0	0	497.872	6.190	40	5		JKBBRN
COc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2C)c(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000059463639	569604300	/nfs/dbraw/zinc/60/43/00/569604300.db2.gz	MGKDLAWSTMOXRP-UHFFFAOYSA-N	0	0	459.527	6.263	40	5		JKBBRN
Cc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000059463602	569604340	/nfs/dbraw/zinc/60/43/40/569604340.db2.gz	RWAAUHVVLPEKAY-UHFFFAOYSA-N	0	0	494.370	6.709	40	5		JKBBRN
O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)Nc1ccccc1[N+](=O)[O-]	ZINC000059474803	569604498	/nfs/dbraw/zinc/60/44/98/569604498.db2.gz	LFJURHIPNIMKEG-UHFFFAOYSA-N	0	0	498.973	5.841	40	5		JKBBRN
Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)sc3c2)cc1	ZINC000059474821	569604509	/nfs/dbraw/zinc/60/45/09/569604509.db2.gz	SQBWOZRVACXTCD-UHFFFAOYSA-N	0	0	478.555	5.496	40	5		JKBBRN
CCOc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1	ZINC000033386961	569625512	/nfs/dbraw/zinc/62/55/12/569625512.db2.gz	CKCHBKPDSZTTTA-UHFFFAOYSA-N	0	0	471.307	5.587	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c([N+](=O)[O-])c1	ZINC000033794141	569635327	/nfs/dbraw/zinc/63/53/27/569635327.db2.gz	VHUNIIHMZMTLAH-UHFFFAOYSA-N	0	0	456.332	5.252	40	5		JKBBRN
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl	ZINC000033571693	569628104	/nfs/dbraw/zinc/62/81/04/569628104.db2.gz	XGIUALYYLZLZDC-LBPRGKRZSA-N	0	0	480.377	5.296	40	5		JKBBRN
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1	ZINC000033653067	569629645	/nfs/dbraw/zinc/62/96/45/569629645.db2.gz	PHBHKDDTKKXHMA-UHFFFAOYSA-N	0	0	450.834	5.039	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000033697318	569630939	/nfs/dbraw/zinc/63/09/39/569630939.db2.gz	FRSFJCAVZAODHI-UHFFFAOYSA-N	0	0	484.965	5.625	40	5		JKBBRN
CC(C)C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C	ZINC000033747490	569633413	/nfs/dbraw/zinc/63/34/13/569633413.db2.gz	PUNZJXHBOPCVSE-LJQANCHMSA-N	0	0	473.986	5.186	40	5		JKBBRN
O=C1[C@@H](c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000033926910	569637717	/nfs/dbraw/zinc/63/77/17/569637717.db2.gz	CACWZHSYVDZDDS-YVHASNINSA-N	0	0	493.519	6.025	40	5		JKBBRN
O=C1[C@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000033926908	569637759	/nfs/dbraw/zinc/63/77/59/569637759.db2.gz	CACWZHSYVDZDDS-KXSOJQAOSA-N	0	0	493.519	6.025	40	5		JKBBRN
O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000034689718	569645757	/nfs/dbraw/zinc/64/57/57/569645757.db2.gz	OHENISPTIOXIMI-UHFFFAOYSA-N	0	0	492.538	5.295	40	5		JKBBRN
Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br	ZINC000034746989	569655704	/nfs/dbraw/zinc/65/57/04/569655704.db2.gz	RBCKTPRKINSRTD-UHFFFAOYSA-N	0	0	460.309	5.053	40	5		JKBBRN
O=C(Nc1ccc(I)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000034967741	569673717	/nfs/dbraw/zinc/67/37/17/569673717.db2.gz	ADYGEDLKLUOIEB-UHFFFAOYSA-N	0	0	468.634	5.365	40	5		JKBBRN
COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Br	ZINC000034967302	569673748	/nfs/dbraw/zinc/67/37/48/569673748.db2.gz	BOEPHPKXUHVTPH-UHFFFAOYSA-N	0	0	468.716	5.395	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1[N+](=O)[O-]	ZINC000035131983	569675534	/nfs/dbraw/zinc/67/55/34/569675534.db2.gz	HFXARVSTCOXOBQ-UHFFFAOYSA-N	0	0	479.901	5.148	40	5		JKBBRN
C[C@@H](NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C12CC3CC(CC(C3)C1)C2	ZINC000035200738	569678155	/nfs/dbraw/zinc/67/81/55/569678155.db2.gz	RATGRQCAHPTIEE-ZJRYTYELSA-N	0	0	453.564	5.064	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000035271991	569679317	/nfs/dbraw/zinc/67/93/17/569679317.db2.gz	MESSPBOMVMRETQ-UHFFFAOYSA-N	0	0	489.340	5.281	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000035401622	569690977	/nfs/dbraw/zinc/69/09/77/569690977.db2.gz	AIYYCWLCCNNDQA-UHFFFAOYSA-N	0	0	486.509	5.234	40	5		JKBBRN
C[C@@]12C3=CC=C1C=C(C1=CC4=CC=C5C=CC=C6C=CC(=C1)[C@@]6(C)[C@@]54C)C=C1C=CC(=CC=C3)[C@]12C	ZINC000068568380	569691252	/nfs/dbraw/zinc/69/12/52/569691252.db2.gz	RYWSNCXNRIKLDP-IHAKKMGISA-N	0	0	462.636	8.609	40	5		JKBBRN
O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000068563800	569691268	/nfs/dbraw/zinc/69/12/68/569691268.db2.gz	URGMBQVUUXIRBK-FIFLTTCUSA-N	0	0	462.374	5.660	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1	ZINC000072229928	569700743	/nfs/dbraw/zinc/70/07/43/569700743.db2.gz	IAQAOZNZGOLMEO-DEOSSOPVSA-N	0	0	462.889	6.151	40	5		JKBBRN
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)CC1	ZINC000072230007	569700773	/nfs/dbraw/zinc/70/07/73/569700773.db2.gz	TYJHSUVKOFQYHD-RUZDIDTESA-N	0	0	479.964	5.819	40	5		JKBBRN
O=C1NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)S1	ZINC000083311694	569708499	/nfs/dbraw/zinc/70/84/99/569708499.db2.gz	CFHPCJJKAHMYTK-XQNSMLJCSA-N	0	0	467.506	6.043	40	5		JKBBRN
Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2c4ccccc4cc4ccccc42)N(c2ccccc2)O3)cc1	ZINC000035829933	569713239	/nfs/dbraw/zinc/71/32/39/569713239.db2.gz	JPCDTXWJEMQXSW-OCBJUFRSSA-N	0	0	484.555	6.353	40	5		JKBBRN
Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000035851852	569716754	/nfs/dbraw/zinc/71/67/54/569716754.db2.gz	QEKIEKMHKQUNFP-CDILPITASA-N	0	0	499.592	5.030	40	5		JKBBRN
CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3cc4ccccc4cc32)cc1	ZINC000090765480	569721352	/nfs/dbraw/zinc/72/13/52/569721352.db2.gz	ZVYVRXAIGFRABK-UHFFFAOYSA-N	0	0	492.706	11.075	40	5		JKBBRN
CCOC(OCC)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)N32)cc1	ZINC000095101142	569721692	/nfs/dbraw/zinc/72/16/92/569721692.db2.gz	KGEYAYVLHDNGOM-KKQPZGKBSA-N	0	0	457.530	5.593	40	5		JKBBRN
C[C@@H]1[C@@H](C)CCC[C@@H]1n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n([C@@H]1CCC[C@H](C)[C@@H]1C)c3=O	ZINC000036019147	569749642	/nfs/dbraw/zinc/74/96/42/569749642.db2.gz	AASLOMJBKLCZLF-KFPUCIBNSA-N	0	0	486.612	5.060	40	5		JKBBRN
O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@@H](c1c[nH]c2ccc(COc4ccccc4)cc21)C3O	ZINC000100134564	569753579	/nfs/dbraw/zinc/75/35/79/569753579.db2.gz	WGJXIOWPAXJFGE-DEOSSOPVSA-N	0	0	454.442	5.652	40	5	in-vitro	JKBBRN
O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000036092250	569756793	/nfs/dbraw/zinc/75/67/93/569756793.db2.gz	GPVZYVBVGISIJK-NAYIZHHVSA-N	0	0	482.492	5.278	40	5		JKBBRN
Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000036316832	569763260	/nfs/dbraw/zinc/76/32/60/569763260.db2.gz	DCAZCKMMEAPQGQ-XVOBZGQLSA-N	0	0	499.592	5.030	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000037073939	569781299	/nfs/dbraw/zinc/78/12/99/569781299.db2.gz	CRYDTGWOULSLPD-HCNQUQSVSA-N	0	0	460.961	7.124	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000037073941	569781339	/nfs/dbraw/zinc/78/13/39/569781339.db2.gz	CRYDTGWOULSLPD-WAGMSWJSSA-N	0	0	460.961	7.124	40	5		JKBBRN
Cc1ccc(NC(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1	ZINC000039389019	569809658	/nfs/dbraw/zinc/80/96/58/569809658.db2.gz	NRMQZUKKOBNRNF-GOSISDBHSA-N	0	0	491.613	6.620	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2cccc3ccccc32)cc1	ZINC000039743639	569811253	/nfs/dbraw/zinc/81/12/53/569811253.db2.gz	SQNRRFGFNNQWNY-UHFFFAOYSA-N	0	0	495.520	5.771	40	5		JKBBRN
O=C(/C=C/c1cccs1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000039761023	569811602	/nfs/dbraw/zinc/81/16/02/569811602.db2.gz	WOTRUJDPMKKKNI-VAWYXSNFSA-N	0	0	477.527	5.079	40	5		JKBBRN
Cc1ccc(NC2=C[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl	ZINC000103764522	569837887	/nfs/dbraw/zinc/83/78/87/569837887.db2.gz	KGKGVLITHHMVCX-HSZRJFAPSA-N	0	0	468.340	6.602	40	5		JKBBRN
Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000105346134	569852849	/nfs/dbraw/zinc/85/28/49/569852849.db2.gz	QEKIEKMHKQUNFP-KALPRAJFSA-N	0	0	499.592	5.030	40	5		JKBBRN
O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000105576358	569853190	/nfs/dbraw/zinc/85/31/90/569853190.db2.gz	KMQRNRKGXBCUCE-UHFFFAOYSA-N	0	0	491.441	5.454	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(Br)cc1	ZINC000106724092	569855110	/nfs/dbraw/zinc/85/51/10/569855110.db2.gz	PGYGXWCKFZTYQX-NVNXTCNLSA-N	0	0	453.701	5.247	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000106686378	569854580	/nfs/dbraw/zinc/85/45/80/569854580.db2.gz	SMILLMQURQUUDF-ODLFYWEKSA-N	0	0	467.890	5.672	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	ZINC000106706919	569854925	/nfs/dbraw/zinc/85/49/25/569854925.db2.gz	SSDXBFFJACYNIF-BKUYFWCQSA-N	0	0	477.498	5.336	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc2ccccc21	ZINC000106720505	569855079	/nfs/dbraw/zinc/85/50/79/569855079.db2.gz	ZYPHGTXZFWXIKE-QQXSKIMKSA-N	0	0	496.544	6.564	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106727367	569855225	/nfs/dbraw/zinc/85/52/25/569855225.db2.gz	UEZBTPFMNVTJOL-CFRMEGHHSA-N	0	0	487.512	5.973	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000106733645	569855302	/nfs/dbraw/zinc/85/53/02/569855302.db2.gz	RJXDKSHECAOIOR-CHHVJCJISA-N	0	0	471.691	5.386	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1cc2c(cc1Cl)OCO2	ZINC000106737665	569855311	/nfs/dbraw/zinc/85/53/11/569855311.db2.gz	LZRTZQOYBZLSGS-XFQLMFQHSA-N	0	0	487.704	5.520	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106739294	569855319	/nfs/dbraw/zinc/85/53/19/569855319.db2.gz	OSMUSTGRSBGGDJ-UUYOSTAYSA-N	0	0	498.919	6.203	40	5		JKBBRN
CSc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000106739148	569855340	/nfs/dbraw/zinc/85/53/40/569855340.db2.gz	YTKLVVIJZNOVOD-UHFFFAOYSA-N	0	0	465.531	6.499	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1c(F)cccc1Cl	ZINC000106740853	569855396	/nfs/dbraw/zinc/85/53/96/569855396.db2.gz	FEZJJDXCVKVYTC-WCSRMQSCSA-N	0	0	461.685	5.931	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000106740198	569855408	/nfs/dbraw/zinc/85/54/08/569855408.db2.gz	OFZKWIFZQAGKJL-GRSHGNNSSA-N	0	0	485.880	5.811	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c(Br)c1	ZINC000106743394	569855432	/nfs/dbraw/zinc/85/54/32/569855432.db2.gz	SLTZQKIHHRNAAR-JAIQZWGSSA-N	0	0	499.342	6.162	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)sc2c1	ZINC000107634067	569856791	/nfs/dbraw/zinc/85/67/91/569856791.db2.gz	MBCAXHXGQQUKPN-UHFFFAOYSA-N	0	0	455.495	6.692	40	5		JKBBRN
COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C(\C)[N+](=O)[O-])cc1	ZINC000107825947	569857516	/nfs/dbraw/zinc/85/75/16/569857516.db2.gz	DCCPHBFPHAEYMX-JXMROGBWSA-N	0	0	471.101	5.077	40	5		JKBBRN
Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000107831117	569857631	/nfs/dbraw/zinc/85/76/31/569857631.db2.gz	LDLJBWWWWZPUBD-UHFFFAOYSA-N	0	0	460.309	5.053	40	5		JKBBRN
Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1	ZINC000107994355	569858220	/nfs/dbraw/zinc/85/82/20/569858220.db2.gz	OBGZRDAOBRSWEV-UHFFFAOYSA-N	0	0	489.985	5.118	40	5		JKBBRN
COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1	ZINC000108203073	569859050	/nfs/dbraw/zinc/85/90/50/569859050.db2.gz	BTIQICRIGUITTF-UHFFFAOYSA-N	0	0	480.527	5.114	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000113834102	569862111	/nfs/dbraw/zinc/86/21/11/569862111.db2.gz	HKVLBNUFXYDQNH-HYARGMPZSA-N	0	0	462.483	5.423	40	5		JKBBRN
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000123228894	569864266	/nfs/dbraw/zinc/86/42/66/569864266.db2.gz	JQQAXXNZGKFEGG-OYYOEVTJSA-N	0	0	468.122	7.085	40	5		JKBBRN
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H]([N+](=O)[O-])[C@H]2C1	ZINC000123235512	569864275	/nfs/dbraw/zinc/86/42/75/569864275.db2.gz	LKHJDALEYCAKSL-KPNCCWIZSA-N	0	0	475.714	7.295	40	5		JKBBRN
O=C(Nc1cccc(C(=O)N2[C@H](c3ccccc3)[C@H]2C(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1	ZINC000138524501	569865896	/nfs/dbraw/zinc/86/58/96/569865896.db2.gz	HRRDTPYGCKINRA-FKCWEYQYSA-N	0	0	491.503	5.296	40	5		JKBBRN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000138677157	569866214	/nfs/dbraw/zinc/86/62/14/569866214.db2.gz	IICAVMFXQVATMD-HCLVMJGWSA-N	0	0	482.533	5.008	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000205662982	569874041	/nfs/dbraw/zinc/87/40/41/569874041.db2.gz	LOCUKSUMIQQNAI-WSDLNYQXSA-N	0	0	498.919	6.203	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000205663057	569874047	/nfs/dbraw/zinc/87/40/47/569874047.db2.gz	STJHTTODJSTSLX-WSDLNYQXSA-N	0	0	498.919	6.203	40	5		JKBBRN
CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	ZINC000205679094	569874079	/nfs/dbraw/zinc/87/40/79/569874079.db2.gz	LOQHUPJRKHDQNE-LICLKQGHSA-N	0	0	493.335	5.001	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](C)CC	ZINC000205702774	569874162	/nfs/dbraw/zinc/87/41/62/569874162.db2.gz	JOEWMMBQOMJKFX-PCXKXAPESA-N	0	0	456.520	5.407	40	5		JKBBRN
O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1	ZINC000214046617	569876251	/nfs/dbraw/zinc/87/62/51/569876251.db2.gz	BJTZUPPAYMKCIB-CIAFOILYSA-N	0	0	477.454	5.532	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000214098259	569876333	/nfs/dbraw/zinc/87/63/33/569876333.db2.gz	COGWGFSDBQLQCH-SRZZPIQSSA-N	0	0	468.918	6.362	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1[N+](=O)[O-]	ZINC000214135176	569876406	/nfs/dbraw/zinc/87/64/06/569876406.db2.gz	KQXXSVAQNKCWBU-RGVLZGJSSA-N	0	0	454.891	6.053	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)o1	ZINC000214248500	569876524	/nfs/dbraw/zinc/87/65/24/569876524.db2.gz	URMLDIQMUFGHES-RGVLZGJSSA-N	0	0	454.435	5.239	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F	ZINC000214324880	569876527	/nfs/dbraw/zinc/87/65/27/569876527.db2.gz	DORWRKSZOICRHF-SRZZPIQSSA-N	0	0	495.444	5.671	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000214449323	569876692	/nfs/dbraw/zinc/87/66/92/569876692.db2.gz	DXAMWVJREUOPBT-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000214587858	569876758	/nfs/dbraw/zinc/87/67/58/569876758.db2.gz	SMCRXAHUMPGOBG-ZVHZXABRSA-N	0	0	490.537	5.727	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1	ZINC000214614277	569876822	/nfs/dbraw/zinc/87/68/22/569876822.db2.gz	LFIZEIVAKYPOGT-RGVLZGJSSA-N	0	0	499.342	6.162	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(Cl)cccc1Cl	ZINC000214788606	569876995	/nfs/dbraw/zinc/87/69/95/569876995.db2.gz	OSPXARSWMKCBMD-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000214880882	569877043	/nfs/dbraw/zinc/87/70/43/569877043.db2.gz	LZNPCFCCKSFQRL-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214902562	569877075	/nfs/dbraw/zinc/87/70/75/569877075.db2.gz	VXROFQTWUVHHDF-YBFXNURJSA-N	0	0	474.416	6.110	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000215028308	569877100	/nfs/dbraw/zinc/87/71/00/569877100.db2.gz	JZCJMMVGHRLZAK-WGOQTCKBSA-N	0	0	496.544	6.564	40	5		JKBBRN
Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1	ZINC000215012261	569877116	/nfs/dbraw/zinc/87/71/16/569877116.db2.gz	DMPFHJTVWQUHEH-OEAKJJBVSA-N	0	0	460.511	5.719	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OC	ZINC000215007362	569877127	/nfs/dbraw/zinc/87/71/27/569877127.db2.gz	OEVJIIHSAOOWFQ-LICLKQGHSA-N	0	0	493.335	5.001	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1[N+](=O)[O-]	ZINC000214996331	569877141	/nfs/dbraw/zinc/87/71/41/569877141.db2.gz	MPHWAABKEJVFKG-RGVLZGJSSA-N	0	0	465.443	5.308	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1Br	ZINC000215095482	569877169	/nfs/dbraw/zinc/87/71/69/569877169.db2.gz	JNJOXQHXLWXHDX-YBFXNURJSA-N	0	0	485.315	5.854	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)cc1[N+](=O)[O-]	ZINC000215054999	569877196	/nfs/dbraw/zinc/87/71/96/569877196.db2.gz	PHQZRDCKZBJPGU-RGVLZGJSSA-N	0	0	499.342	6.162	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1	ZINC000215114522	569877204	/nfs/dbraw/zinc/87/72/04/569877204.db2.gz	AEJKXRYMIATSRV-KEBDBYFISA-N	0	0	488.880	5.892	40	5		JKBBRN
O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1Cl	ZINC000215146760	569877205	/nfs/dbraw/zinc/87/72/05/569877205.db2.gz	LCASPMJWEMQAGQ-RGVLZGJSSA-N	0	0	471.897	5.474	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000215138917	569877207	/nfs/dbraw/zinc/87/72/07/569877207.db2.gz	SICKGWNRKPDPQE-DJKKODMXSA-N	0	0	493.299	6.537	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1	ZINC000215121327	569877212	/nfs/dbraw/zinc/87/72/12/569877212.db2.gz	DABDSNVKBQHUHW-KEBDBYFISA-N	0	0	488.880	5.892	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000215120866	569877213	/nfs/dbraw/zinc/87/72/13/569877213.db2.gz	JVLFJYKMUXDSMA-DJKKODMXSA-N	0	0	493.299	6.537	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000215129696	569877215	/nfs/dbraw/zinc/87/72/15/569877215.db2.gz	GWAGFZSSOMZLDK-UFFVCSGVSA-N	0	0	486.908	6.501	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000215138367	569877239	/nfs/dbraw/zinc/87/72/39/569877239.db2.gz	JDOPXTNEZBXCEH-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000215116260	569877241	/nfs/dbraw/zinc/87/72/41/569877241.db2.gz	DAOHEBWIPCEYIO-SSDVNMTOSA-N	0	0	498.919	6.203	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000216380094	569878627	/nfs/dbraw/zinc/87/86/27/569878627.db2.gz	RHCUVGKXLOSDKW-UHFFFAOYSA-N	0	0	477.586	6.017	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223320884	569907439	/nfs/dbraw/zinc/90/74/39/569907439.db2.gz	QXHJMBPTBVCNBY-AMGIVPHBSA-N	0	0	487.600	5.001	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1	ZINC000223365140	569908974	/nfs/dbraw/zinc/90/89/74/569908974.db2.gz	DWSZQXMDQHVEHF-GOTSBHOMSA-N	0	0	476.514	5.024	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1	ZINC000223365104	569908978	/nfs/dbraw/zinc/90/89/78/569908978.db2.gz	DWSZQXMDQHVEHF-XZOQPEGZSA-N	0	0	476.514	5.024	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223377050	569909312	/nfs/dbraw/zinc/90/93/12/569909312.db2.gz	UYWISHQMMANCGH-AJTFRIOCSA-N	0	0	487.600	5.001	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223403408	569910048	/nfs/dbraw/zinc/91/00/48/569910048.db2.gz	IVBFWPNYAXUHGV-DQEYMECFSA-N	0	0	486.553	5.431	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223433591	569911277	/nfs/dbraw/zinc/91/12/77/569911277.db2.gz	YJDLXXSJXAJMPE-CUNXSJBXSA-N	0	0	487.600	5.001	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223775474	569922915	/nfs/dbraw/zinc/92/29/15/569922915.db2.gz	CEXZLTMSIDJENG-RPWUZVMVSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223775418	569922929	/nfs/dbraw/zinc/92/29/29/569922929.db2.gz	CEXZLTMSIDJENG-ZEQRLZLVSA-N	0	0	472.526	5.436	40	5		JKBBRN
CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000223796786	569923668	/nfs/dbraw/zinc/92/36/68/569923668.db2.gz	JLXWCHFIZUCKIU-QFIPXVFZSA-N	0	0	492.041	5.205	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223877210	569925909	/nfs/dbraw/zinc/92/59/09/569925909.db2.gz	HNQVGNOZMFMGIX-ZEQRLZLVSA-N	0	0	488.525	5.141	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1	ZINC000223880925	569926084	/nfs/dbraw/zinc/92/60/84/569926084.db2.gz	VQCYRGUTTFWNHL-XZOQPEGZSA-N	0	0	458.499	5.133	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1	ZINC000223881250	569926125	/nfs/dbraw/zinc/92/61/25/569926125.db2.gz	XLPRHRMBLZTBNF-GOTSBHOMSA-N	0	0	458.499	5.133	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000223908507	569926911	/nfs/dbraw/zinc/92/69/11/569926911.db2.gz	MSNCLIWOUGEEPQ-JWQCQUIFSA-N	0	0	484.585	5.024	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223911323	569927010	/nfs/dbraw/zinc/92/70/10/569927010.db2.gz	NJRJIWMBYGOTBH-DQEYMECFSA-N	0	0	485.569	5.493	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223911426	569927012	/nfs/dbraw/zinc/92/70/12/569927012.db2.gz	NJRJIWMBYGOTBH-LOSJGSFVSA-N	0	0	485.569	5.493	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223911377	569927052	/nfs/dbraw/zinc/92/70/52/569927052.db2.gz	NJRJIWMBYGOTBH-RPBOFIJWSA-N	0	0	485.569	5.493	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223997886	569929883	/nfs/dbraw/zinc/92/98/83/569929883.db2.gz	DZWXDGJSYPPNNT-LOSJGSFVSA-N	0	0	499.552	5.385	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1	ZINC000224029227	569931164	/nfs/dbraw/zinc/93/11/64/569931164.db2.gz	VJGFKFHTMVGEMB-ZEQRLZLVSA-N	0	0	486.509	5.156	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1	ZINC000224037211	569931410	/nfs/dbraw/zinc/93/14/10/569931410.db2.gz	QTALHFGZEVBEKP-BJKOFHAPSA-N	0	0	486.509	5.156	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1	ZINC000224251536	569938116	/nfs/dbraw/zinc/93/81/16/569938116.db2.gz	KUFDBGXVEATMFB-LOSJGSFVSA-N	0	0	486.553	5.744	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1	ZINC000224251502	569938149	/nfs/dbraw/zinc/93/81/49/569938149.db2.gz	KUFDBGXVEATMFB-RPBOFIJWSA-N	0	0	486.553	5.744	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224254636	569938218	/nfs/dbraw/zinc/93/82/18/569938218.db2.gz	XHDPJYUSXLJISX-BJKOFHAPSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224254889	569938236	/nfs/dbraw/zinc/93/82/36/569938236.db2.gz	FPBYXGRFAZPVDA-DNQXCXABSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224254838	569938246	/nfs/dbraw/zinc/93/82/46/569938246.db2.gz	FPBYXGRFAZPVDA-BJKOFHAPSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000224278661	569939047	/nfs/dbraw/zinc/93/90/47/569939047.db2.gz	AYNZWEIUJWPMOS-RPBOFIJWSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C	ZINC000224280810	569939104	/nfs/dbraw/zinc/93/91/04/569939104.db2.gz	JTNGBWNXIIYFGK-DQEYMECFSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C	ZINC000224287132	569939385	/nfs/dbraw/zinc/93/93/85/569939385.db2.gz	QGKVLXLVJCSINW-DQEYMECFSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C	ZINC000224287383	569939418	/nfs/dbraw/zinc/93/94/18/569939418.db2.gz	CMSHGVYFKWFLKV-RPBOFIJWSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1	ZINC000224313276	569940087	/nfs/dbraw/zinc/94/00/87/569940087.db2.gz	MCBNOXOFFGSRNE-JWQCQUIFSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000224313409	569940119	/nfs/dbraw/zinc/94/01/19/569940119.db2.gz	ZXIFVDIUMLWPBV-LOSJGSFVSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000224313331	569940169	/nfs/dbraw/zinc/94/01/69/569940169.db2.gz	ZXIFVDIUMLWPBV-DQEYMECFSA-N	0	0	469.570	5.574	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224378177	569942529	/nfs/dbraw/zinc/94/25/29/569942529.db2.gz	KSSRULBACFGCLS-IZZNHLLZSA-N	0	0	483.597	6.081	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224387055	569942852	/nfs/dbraw/zinc/94/28/52/569942852.db2.gz	AECILSYTIXBVES-CLJLJLNGSA-N	0	0	484.581	6.550	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1	ZINC000224409584	569943650	/nfs/dbraw/zinc/94/36/50/569943650.db2.gz	FIGJZTWEVLKYGI-XZOQPEGZSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1	ZINC000224409689	569943768	/nfs/dbraw/zinc/94/37/68/569943768.db2.gz	NWJABVQZOFLTJB-DHIUTWEWSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1	ZINC000224409634	569943776	/nfs/dbraw/zinc/94/37/76/569943776.db2.gz	FIGJZTWEVLKYGI-GOTSBHOMSA-N	0	0	459.506	5.097	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224448702	569944822	/nfs/dbraw/zinc/94/48/22/569944822.db2.gz	PWZJZUQEHYEZHG-BJKOFHAPSA-N	0	0	490.516	5.575	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1	ZINC000224451954	569944930	/nfs/dbraw/zinc/94/49/30/569944930.db2.gz	DOFCKHUAGXIUCN-PKTZIBPZSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1	ZINC000224451988	569944956	/nfs/dbraw/zinc/94/49/56/569944956.db2.gz	DOFCKHUAGXIUCN-XZOQPEGZSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1	ZINC000224474526	569945532	/nfs/dbraw/zinc/94/55/32/569945532.db2.gz	CBHWADYYDBILOF-XZOQPEGZSA-N	0	0	475.961	5.611	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1	ZINC000224474493	569945535	/nfs/dbraw/zinc/94/55/35/569945535.db2.gz	CBHWADYYDBILOF-PKTZIBPZSA-N	0	0	475.961	5.611	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224476593	569945660	/nfs/dbraw/zinc/94/56/60/569945660.db2.gz	ILHNYAWJOONRCL-DHIUTWEWSA-N	0	0	476.945	6.080	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224476633	569945667	/nfs/dbraw/zinc/94/56/67/569945667.db2.gz	ILHNYAWJOONRCL-PKTZIBPZSA-N	0	0	476.945	6.080	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1	ZINC000224482632	569945899	/nfs/dbraw/zinc/94/58/99/569945899.db2.gz	NCRIPZPOVUDLAS-PKTZIBPZSA-N	0	0	476.945	6.080	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C(C)(C)C)cc1	ZINC000224526826	569947227	/nfs/dbraw/zinc/94/72/27/569947227.db2.gz	RMPRBFIYPMSKGB-UHFFFAOYSA-N	0	0	462.546	6.431	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224552750	569948166	/nfs/dbraw/zinc/94/81/66/569948166.db2.gz	KDOHOVVJRCRNMM-DNQXCXABSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224552701	569948179	/nfs/dbraw/zinc/94/81/79/569948179.db2.gz	KDOHOVVJRCRNMM-BJKOFHAPSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000224589157	569949682	/nfs/dbraw/zinc/94/96/82/569949682.db2.gz	XQYYIDLTBTXCAW-BJKOFHAPSA-N	0	0	472.526	5.436	40	5		JKBBRN
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224705261	569954250	/nfs/dbraw/zinc/95/42/50/569954250.db2.gz	YOWJHMOUJZKLMR-JOCHJYFZSA-N	0	0	492.041	5.061	40	5		JKBBRN
Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCCC2)c1	ZINC000224706612	569954377	/nfs/dbraw/zinc/95/43/77/569954377.db2.gz	NQYKXDNBBUMEGU-HXUWFJFHSA-N	0	0	483.634	5.003	40	5		JKBBRN
Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1	ZINC000224733988	569955299	/nfs/dbraw/zinc/95/52/99/569955299.db2.gz	XFBJABPCVHMPBF-FQEVSTJZSA-N	0	0	483.634	5.003	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccs3)cc2)cc1	ZINC000224760692	569956481	/nfs/dbraw/zinc/95/64/81/569956481.db2.gz	VSQBFGHTARQQHE-DHIUTWEWSA-N	0	0	490.635	6.380	40	5		JKBBRN
Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000224780092	569957258	/nfs/dbraw/zinc/95/72/58/569957258.db2.gz	YDTBNWQNCIHLDZ-ZEQRLZLVSA-N	0	0	487.610	5.657	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1	ZINC000224879016	569961499	/nfs/dbraw/zinc/96/14/99/569961499.db2.gz	ILDRYYWQAOJYQP-DHIUTWEWSA-N	0	0	491.960	5.317	40	5		JKBBRN
C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224879097	569961536	/nfs/dbraw/zinc/96/15/36/569961536.db2.gz	CXMAZBSWPQSHGL-INIZCTEOSA-N	0	0	492.403	5.310	40	5		JKBBRN
C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224906360	569962821	/nfs/dbraw/zinc/96/28/21/569962821.db2.gz	VPKATHOOARWANZ-MRXNPFEDSA-N	0	0	492.403	5.310	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F	ZINC000224908339	569962885	/nfs/dbraw/zinc/96/28/85/569962885.db2.gz	OZCLKDRQCOTHOP-RPWUZVMVSA-N	0	0	473.533	5.405	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F	ZINC000224910640	569962981	/nfs/dbraw/zinc/96/29/81/569962981.db2.gz	TWNGNTRSHVDMRX-DNQXCXABSA-N	0	0	474.517	5.874	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F	ZINC000224910561	569962996	/nfs/dbraw/zinc/96/29/96/569962996.db2.gz	TWNGNTRSHVDMRX-RPWUZVMVSA-N	0	0	474.517	5.874	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000408604011	569970214	/nfs/dbraw/zinc/97/02/14/569970214.db2.gz	CQIMQFPABDWSOS-UHFFFAOYSA-N	0	0	467.736	6.755	40	5		JKBBRN
CCOc1cc(/C=C/C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1OC	ZINC000408604075	569970247	/nfs/dbraw/zinc/97/02/47/569970247.db2.gz	SELGKWXOXALVIH-PJQLUOCWSA-N	0	0	450.516	5.805	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1	ZINC000225029632	569970272	/nfs/dbraw/zinc/97/02/72/569970272.db2.gz	HRQBTARWVOJQOQ-DHIUTWEWSA-N	0	0	464.547	5.174	40	5		JKBBRN
COc1cc(CNc2ccc(F)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408604722	569970461	/nfs/dbraw/zinc/97/04/61/569970461.db2.gz	DWKDFNSHLGMICF-UHFFFAOYSA-N	0	0	470.806	6.819	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(Cl)c1	ZINC000408605700	569970891	/nfs/dbraw/zinc/97/08/91/569970891.db2.gz	GMGVIXKADNKXHI-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2cc(Br)ccc2O)c(C)c1	ZINC000408606224	569971126	/nfs/dbraw/zinc/97/11/26/569971126.db2.gz	PFVJOGQYJCDBSG-UHFFFAOYSA-N	0	0	498.362	5.474	40	5		JKBBRN
COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408608000	569971614	/nfs/dbraw/zinc/97/16/14/569971614.db2.gz	LMCYPUNTAQWQNF-UHFFFAOYSA-N	0	0	467.736	6.755	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1	ZINC000225053185	569972150	/nfs/dbraw/zinc/97/21/50/569972150.db2.gz	OGVSHSGEWHNHLC-UIOOFZCWSA-N	0	0	498.612	5.255	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1	ZINC000408609838	569972220	/nfs/dbraw/zinc/97/22/20/569972220.db2.gz	PBDJIVWJTYLPDK-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1	ZINC000225055370	569972260	/nfs/dbraw/zinc/97/22/60/569972260.db2.gz	KLQOVDLNVAPPGI-FTJBHMTQSA-N	0	0	499.596	5.725	40	5		JKBBRN
CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408610750	569972539	/nfs/dbraw/zinc/97/25/39/569972539.db2.gz	SAQQCVQXHBZSNQ-UHFFFAOYSA-N	0	0	481.763	7.145	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225100438	569975108	/nfs/dbraw/zinc/97/51/08/569975108.db2.gz	WKMLSPFDRWQCIS-VWLOTQADSA-N	0	0	497.661	5.393	40	5		JKBBRN
O=C(COC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(-c2ccccc2)cc1	ZINC000408620277	569977718	/nfs/dbraw/zinc/97/77/18/569977718.db2.gz	LMQCPTRPKBKJEC-UHFFFAOYSA-N	0	0	461.857	6.215	40	5		JKBBRN
CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccccc1	ZINC000408621733	569978406	/nfs/dbraw/zinc/97/84/06/569978406.db2.gz	PIEKBHILJCTKDB-UHFFFAOYSA-N	0	0	485.334	5.896	40	5		JKBBRN
COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	ZINC000408624293	569979599	/nfs/dbraw/zinc/97/95/99/569979599.db2.gz	VJZNZTAZARTUFB-UHFFFAOYSA-N	0	0	464.861	6.561	40	5		JKBBRN
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C\c1csc(NCc2ccccc2)n1	ZINC000225255622	569986279	/nfs/dbraw/zinc/98/62/79/569986279.db2.gz	ZQOACCHXUKDGFA-YBFXNURJSA-N	0	0	472.979	5.504	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408638474	569987910	/nfs/dbraw/zinc/98/79/10/569987910.db2.gz	CLVYMEXMSUIUAR-HNNXBMFYSA-N	0	0	496.317	5.141	40	5		JKBBRN
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1	ZINC000408640303	569988826	/nfs/dbraw/zinc/98/88/26/569988826.db2.gz	IRLNBGBCSHWKGM-HXUWFJFHSA-N	0	0	487.556	6.119	40	5		JKBBRN
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408642536	569989758	/nfs/dbraw/zinc/98/97/58/569989758.db2.gz	OTWCDGBKNFJIRQ-IBGZPJMESA-N	0	0	487.556	5.985	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)CC1=O	ZINC000408646170	569991763	/nfs/dbraw/zinc/99/17/63/569991763.db2.gz	VSGILTSKDDXKSJ-HXUWFJFHSA-N	0	0	497.507	5.541	40	5		JKBBRN
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000225352928	569992368	/nfs/dbraw/zinc/99/23/68/569992368.db2.gz	KKWJOPIUFCYVDR-IZZNHLLZSA-N	0	0	499.596	5.745	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225353950	569992498	/nfs/dbraw/zinc/99/24/98/569992498.db2.gz	KNTMNHXMWBSXQS-VWLOTQADSA-N	0	0	497.661	5.127	40	5		JKBBRN
C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1	ZINC000408658930	569999315	/nfs/dbraw/zinc/99/93/15/569999315.db2.gz	VGNCVYFHMOGWCZ-OXQOHEQNSA-N	0	0	492.915	5.083	40	5		JKBBRN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000408663977	570002757	/nfs/dbraw/zinc/00/27/57/570002757.db2.gz	IICAVMFXQVATMD-LLBVYWAGSA-N	0	0	482.533	5.008	40	5		JKBBRN
COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl	ZINC000225565573	570006045	/nfs/dbraw/zinc/00/60/45/570006045.db2.gz	VDVQBCXOLOSSDI-UHFFFAOYSA-N	0	0	476.957	5.129	40	5		JKBBRN
Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000408673861	570008855	/nfs/dbraw/zinc/00/88/55/570008855.db2.gz	VVQIDCCNHQKNSV-UHFFFAOYSA-N	0	0	467.481	6.200	40	5		JKBBRN
CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@H]2C1	ZINC000408675474	570010219	/nfs/dbraw/zinc/01/02/19/570010219.db2.gz	AWGNSTPVQPUERU-DQEYMECFSA-N	0	0	481.508	5.360	40	5		JKBBRN
O=C(Nc1cccc(C(=O)N2[C@H](c3ccccc3)[C@H]2C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000408676554	570010613	/nfs/dbraw/zinc/01/06/13/570010613.db2.gz	DJISDTTZIXSDTE-FKCWEYQYSA-N	0	0	491.503	5.296	40	5		JKBBRN
O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000408676555	570010672	/nfs/dbraw/zinc/01/06/72/570010672.db2.gz	DJISDTTZIXSDTE-VGNMNXCYSA-N	0	0	491.503	5.296	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2Cl)cc1	ZINC000408677878	570011108	/nfs/dbraw/zinc/01/11/08/570011108.db2.gz	CDQDGJWBEUJSEP-QFIPXVFZSA-N	0	0	478.353	5.998	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Br)cc2)cc1	ZINC000408682135	570012769	/nfs/dbraw/zinc/01/27/69/570012769.db2.gz	IZFIPMDUVUZPGX-JOCHJYFZSA-N	0	0	488.359	5.454	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(Cl)c2)cc1	ZINC000408689430	570014875	/nfs/dbraw/zinc/01/48/75/570014875.db2.gz	YDJDHPRCBWLHEI-QFIPXVFZSA-N	0	0	478.353	5.998	40	5		JKBBRN
Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Br)cc2)c1	ZINC000408694991	570017437	/nfs/dbraw/zinc/01/74/37/570017437.db2.gz	NMTONXGHNKDTDD-UHFFFAOYSA-N	0	0	478.306	5.166	40	5		JKBBRN
Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1	ZINC000408695090	570017533	/nfs/dbraw/zinc/01/75/33/570017533.db2.gz	OSDLPHBPNBBDJX-UHFFFAOYSA-N	0	0	468.300	5.710	40	5		JKBBRN
CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225726172	570018135	/nfs/dbraw/zinc/01/81/35/570018135.db2.gz	LBGZDRSCKVKESQ-MGPUTAFESA-N	0	0	480.392	5.166	40	5		JKBBRN
Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)cc1C	ZINC000408695870	570018224	/nfs/dbraw/zinc/01/82/24/570018224.db2.gz	UJMTYUHJGJVRPH-UHFFFAOYSA-N	0	0	492.333	5.474	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1	ZINC000408696237	570018428	/nfs/dbraw/zinc/01/84/28/570018428.db2.gz	YIUPJHYZLUKNFL-UHFFFAOYSA-N	0	0	488.718	6.055	40	5		JKBBRN
CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1	ZINC000408700891	570021425	/nfs/dbraw/zinc/02/14/25/570021425.db2.gz	NSOHKDFMTRHTGO-UHFFFAOYSA-N	0	0	491.978	5.048	40	5		JKBBRN
Cc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-]	ZINC000408702322	570022430	/nfs/dbraw/zinc/02/24/30/570022430.db2.gz	BGDZFRAGTLTVLM-XMMPIXPASA-N	0	0	481.961	5.583	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1	ZINC000408704011	570023719	/nfs/dbraw/zinc/02/37/19/570023719.db2.gz	IIANEGIRHUQSJG-HSZRJFAPSA-N	0	0	467.934	5.275	40	5		JKBBRN
O=C(CCCCCCCCCCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-]	ZINC000408721801	570027150	/nfs/dbraw/zinc/02/71/50/570027150.db2.gz	YZNBIBAPWSFRIS-UHFFFAOYSA-N	0	0	470.526	5.981	40	5		JKBBRN
COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-]	ZINC000408721982	570027208	/nfs/dbraw/zinc/02/72/08/570027208.db2.gz	BXIACYGKLJUCIU-UHFFFAOYSA-N	0	0	490.497	5.863	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1	ZINC000408725929	570028135	/nfs/dbraw/zinc/02/81/35/570028135.db2.gz	JJJXEKZISLEFJZ-BKUYFWCQSA-N	0	0	466.902	6.068	40	5		JKBBRN
O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CSCN1C(=O)OCc1ccccc1	ZINC000408738870	570031325	/nfs/dbraw/zinc/03/13/25/570031325.db2.gz	WOLUHMRIKLAQTO-JOCHJYFZSA-N	0	0	495.582	5.396	40	5		JKBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1	ZINC000408749341	570033566	/nfs/dbraw/zinc/03/35/66/570033566.db2.gz	GATOWFUSWUUNJX-UHFFFAOYSA-N	0	0	481.942	5.951	40	5		JKBBRN
O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000408750999	570034202	/nfs/dbraw/zinc/03/42/02/570034202.db2.gz	VFCVHIPYESGCQO-CALCHBBNSA-N	0	0	453.545	5.176	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O	ZINC000408755287	570035284	/nfs/dbraw/zinc/03/52/84/570035284.db2.gz	DBTLUVNAROSSIT-UHFFFAOYSA-N	0	0	459.845	5.651	40	5		JKBBRN
Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C4=O)ccc1Br	ZINC000408756901	570035691	/nfs/dbraw/zinc/03/56/91/570035691.db2.gz	KEIIZYJTAUIVTP-UHFFFAOYSA-N	0	0	487.309	6.287	40	5		JKBBRN
CCCN1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408756802	570035740	/nfs/dbraw/zinc/03/57/40/570035740.db2.gz	JRFCVOTZVKZUDS-UHFFFAOYSA-N	0	0	454.280	5.260	40	5		JKBBRN
Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1C	ZINC000408757726	570035965	/nfs/dbraw/zinc/03/59/65/570035965.db2.gz	PLCSXTBMNNWTEY-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
Cc1ccccc1N1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408757712	570035990	/nfs/dbraw/zinc/03/59/90/570035990.db2.gz	PCXWDNDBJYZYHB-UHFFFAOYSA-N	0	0	457.873	6.254	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1	ZINC000408758100	570036090	/nfs/dbraw/zinc/03/60/90/570036090.db2.gz	VHHRPNVMGQDSOI-UHFFFAOYSA-N	0	0	459.845	5.651	40	5		JKBBRN
Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1	ZINC000408758108	570036113	/nfs/dbraw/zinc/03/61/13/570036113.db2.gz	VMMNQAKBJZQAFL-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc21	ZINC000408757868	570036118	/nfs/dbraw/zinc/03/61/18/570036118.db2.gz	QZKMUYDIRPVFDO-UHFFFAOYSA-N	0	0	493.906	7.099	40	5		JKBBRN
CCCCN1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408758232	570036189	/nfs/dbraw/zinc/03/61/89/570036189.db2.gz	XCWBRDWDXSSREK-UHFFFAOYSA-N	0	0	468.307	5.650	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000226333882	570037551	/nfs/dbraw/zinc/03/75/51/570037551.db2.gz	CRYDTGWOULSLPD-IMERCNGYSA-N	0	0	460.961	7.124	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1	ZINC000408768162	570038283	/nfs/dbraw/zinc/03/82/83/570038283.db2.gz	CKJQQDVCTFAVAC-LMSRTUJASA-N	0	0	491.569	5.344	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1	ZINC000408770734	570038720	/nfs/dbraw/zinc/03/87/20/570038720.db2.gz	BPNAHRQMUWEWMN-FNUHDPNESA-N	0	0	455.923	5.670	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)cc1	ZINC000408777522	570040572	/nfs/dbraw/zinc/04/05/72/570040572.db2.gz	BHALWPZLYVJYDN-AFHVAHMMSA-N	0	0	455.923	5.670	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)cc1	ZINC000408777523	570040576	/nfs/dbraw/zinc/04/05/76/570040576.db2.gz	BHALWPZLYVJYDN-ZRELAVNMSA-N	0	0	455.923	5.670	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)S2)cc1	ZINC000408782953	570042142	/nfs/dbraw/zinc/04/21/42/570042142.db2.gz	IZQOZRBISQXJRJ-ZRELAVNMSA-N	0	0	455.923	5.670	40	5		JKBBRN
Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1	ZINC000408797129	570044650	/nfs/dbraw/zinc/04/46/50/570044650.db2.gz	GFXONOWRAUXMCL-UHFFFAOYSA-N	0	0	480.953	5.899	40	5		JKBBRN
Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1	ZINC000408802926	570046310	/nfs/dbraw/zinc/04/63/10/570046310.db2.gz	JGLZRMKQXGJDRJ-UHFFFAOYSA-N	0	0	454.915	5.888	40	5		JKBBRN
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1	ZINC000408803661	570046626	/nfs/dbraw/zinc/04/66/26/570046626.db2.gz	RRNBCTYJCNVBBD-UHFFFAOYSA-N	0	0	470.914	5.588	40	5		JKBBRN
Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1	ZINC000408804272	570046938	/nfs/dbraw/zinc/04/69/38/570046938.db2.gz	WTTJYQGNZKOIPE-UHFFFAOYSA-N	0	0	480.953	5.899	40	5		JKBBRN
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1	ZINC000408804560	570046987	/nfs/dbraw/zinc/04/69/87/570046987.db2.gz	YJVFTTWSYABBJH-UHFFFAOYSA-N	0	0	476.534	5.254	40	5		JKBBRN
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1Nc1ccccc1	ZINC000408814885	570050109	/nfs/dbraw/zinc/05/01/09/570050109.db2.gz	SLYODPAWESYEGL-NDDKWJIQSA-N	0	0	488.589	6.909	40	5		JKBBRN
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1Nc1ccccc1	ZINC000408814880	570050189	/nfs/dbraw/zinc/05/01/89/570050189.db2.gz	SLYODPAWESYEGL-IVTWHQKDSA-N	0	0	488.589	6.909	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408819396	570051553	/nfs/dbraw/zinc/05/15/53/570051553.db2.gz	QPZNTNUYGVOINE-NVMNQCDNSA-N	0	0	493.335	5.001	40	5		JKBBRN
O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1cccc([N+](=O)[O-])c1	ZINC000408822044	570052148	/nfs/dbraw/zinc/05/21/48/570052148.db2.gz	AZQVSGSBUWZVKS-UHFFFAOYSA-N	0	0	477.545	7.305	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408826556	570052475	/nfs/dbraw/zinc/05/24/75/570052475.db2.gz	JUARKQQFEWZKEE-UHFFFAOYSA-N	0	0	494.370	6.709	40	5		JKBBRN
O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccccc1[N+](=O)[O-]	ZINC000408829629	570052670	/nfs/dbraw/zinc/05/26/70/570052670.db2.gz	OHRUASVLSBIDFO-UHFFFAOYSA-N	0	0	477.545	7.305	40	5		JKBBRN
COc1ccc(-c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408832110	570052727	/nfs/dbraw/zinc/05/27/27/570052727.db2.gz	RDEPOSJOLDZRLR-UHFFFAOYSA-N	0	0	476.470	5.554	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408831951	570052793	/nfs/dbraw/zinc/05/27/93/570052793.db2.gz	HXBGJVCVHLNFMT-UHFFFAOYSA-N	0	0	484.364	7.253	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000408834724	570053002	/nfs/dbraw/zinc/05/30/02/570053002.db2.gz	LQKBCTTZKRUHHE-UHFFFAOYSA-N	0	0	480.889	6.199	40	5		JKBBRN
Cc1ccc2c(Cl)c(C3=N/C(=C/c4c5ccccc5cc5ccccc54)C(=O)O3)sc2c1	ZINC000408838280	570053269	/nfs/dbraw/zinc/05/32/69/570053269.db2.gz	DCCTVMNUHGBPLU-HYARGMPZSA-N	0	0	453.950	7.514	40	5		JKBBRN
O=c1/c(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)sc2nc3ccccc3n12	ZINC000408902404	570069249	/nfs/dbraw/zinc/06/92/49/570069249.db2.gz	INCFRLQDVXCLNM-MYYYXRDXSA-N	0	0	479.517	5.097	40	5		JKBBRN
C[C@@H]1CCC[C@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@H]2C)c4=O)[C@H]1C	ZINC000248129313	570074872	/nfs/dbraw/zinc/07/48/72/570074872.db2.gz	AASLOMJBKLCZLF-WMSUFPGBSA-N	0	0	486.612	5.060	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408917035	570075653	/nfs/dbraw/zinc/07/56/53/570075653.db2.gz	LEJLWVZEUKSXDB-WGOQTCKBSA-N	0	0	496.544	6.564	40	5		JKBBRN
Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2)c1	ZINC000408917357	570075711	/nfs/dbraw/zinc/07/57/11/570075711.db2.gz	RUHCBWIEXNIPLB-OEAKJJBVSA-N	0	0	460.511	5.719	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408917638	570075892	/nfs/dbraw/zinc/07/58/92/570075892.db2.gz	YXTQOTVUWJRJLP-WGOQTCKBSA-N	0	0	496.544	6.564	40	5		JKBBRN
O=C(Nc1ccc(CSc2ccccc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408920804	570077016	/nfs/dbraw/zinc/07/70/16/570077016.db2.gz	NRWQWNJEEAUKDS-ZXVVBBHZSA-N	0	0	466.562	7.066	40	5		JKBBRN
O=C(NCCSCc1ccc(Cl)cc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408924075	570078035	/nfs/dbraw/zinc/07/80/35/570078035.db2.gz	NMBBBMVVOFYVCW-HYARGMPZSA-N	0	0	487.408	6.492	40	5		JKBBRN
O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000408931935	570080363	/nfs/dbraw/zinc/08/03/63/570080363.db2.gz	SICVOBZLABPJBB-YVLHZVERSA-N	0	0	458.257	5.255	40	5		JKBBRN
CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1	ZINC000408975488	570089660	/nfs/dbraw/zinc/08/96/60/570089660.db2.gz	KZAPNSWCLLKXOR-UHFFFAOYSA-N	0	0	468.630	6.381	40	5		JKBBRN
O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1cccc2ccccc21	ZINC000408975892	570089816	/nfs/dbraw/zinc/08/98/16/570089816.db2.gz	OTKITZRTTYVEOR-UHFFFAOYSA-N	0	0	466.504	6.677	40	5		JKBBRN
CCCN(Cc1ccccc1)C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408976124	570089875	/nfs/dbraw/zinc/08/98/75/570089875.db2.gz	PGYXBUQHZHOXJJ-UHFFFAOYSA-N	0	0	488.620	6.488	40	5		JKBBRN
COC(=O)c1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408976861	570090038	/nfs/dbraw/zinc/09/00/38/570090038.db2.gz	SQOYMBXPYAMKRU-UHFFFAOYSA-N	0	0	490.548	5.475	40	5		JKBBRN
Cc1ccc(N(C)C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1C	ZINC000408977755	570090239	/nfs/dbraw/zinc/09/02/39/570090239.db2.gz	XZSTVXUKUACXQW-UHFFFAOYSA-N	0	0	474.593	6.329	40	5		JKBBRN
N=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccc2c(c1)OCO2	ZINC000408977922	570090325	/nfs/dbraw/zinc/09/03/25/570090325.db2.gz	ZLYGIEPFERCIOS-XASQNKGUSA-N	0	0	469.862	5.293	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1	ZINC000408979696	570090612	/nfs/dbraw/zinc/09/06/12/570090612.db2.gz	RSCQBDIGAFCQOU-UHFFFAOYSA-N	0	0	458.524	6.247	40	5		JKBBRN
Cc1nnc(SCC(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)s1	ZINC000408980603	570090758	/nfs/dbraw/zinc/09/07/58/570090758.db2.gz	GAHGTPNJJHUGIK-UHFFFAOYSA-N	0	0	489.629	5.388	40	5		JKBBRN
CCc1ccccc1N1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408993458	570094840	/nfs/dbraw/zinc/09/48/40/570094840.db2.gz	DDJMEPBGDVYJBH-UHFFFAOYSA-N	0	0	471.900	6.508	40	5		JKBBRN
COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@H]21	ZINC000408994303	570095023	/nfs/dbraw/zinc/09/50/23/570095023.db2.gz	ZEJZXIFCVYCIFO-OIBXWCBGSA-N	0	0	451.320	5.837	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	ZINC000408995518	570095357	/nfs/dbraw/zinc/09/53/57/570095357.db2.gz	JURVSWICRFENIT-PIZZNKLWSA-N	0	0	482.967	7.298	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1	ZINC000408995524	570095383	/nfs/dbraw/zinc/09/53/83/570095383.db2.gz	AUILPBLZERZPAI-UHFFFAOYSA-N	0	0	459.845	5.651	40	5		JKBBRN
Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409002062	570096574	/nfs/dbraw/zinc/09/65/74/570096574.db2.gz	SFSLBAIIHUNPPE-ZHACJKMWSA-N	0	0	459.418	5.537	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000409002183	570096600	/nfs/dbraw/zinc/09/66/00/570096600.db2.gz	YSVDSLWKYYCREJ-IGBKUBFESA-N	0	0	482.967	7.298	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](C)Oc2ccc(Cl)cc2Cl)o1	ZINC000409004971	570097600	/nfs/dbraw/zinc/09/76/00/570097600.db2.gz	COCSQQUONYFYNQ-LLVKDONJSA-N	0	0	483.333	5.464	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	ZINC000409007060	570098265	/nfs/dbraw/zinc/09/82/65/570098265.db2.gz	NGMCTMDBZWXWGI-LLVKDONJSA-N	0	0	483.333	5.464	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CCc1ccccc1	ZINC000409008456	570098717	/nfs/dbraw/zinc/09/87/17/570098717.db2.gz	YYWLEZVMNZUKPR-HAHDFKILSA-N	0	0	494.956	6.106	40	5		JKBBRN
CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O	ZINC000409010824	570099447	/nfs/dbraw/zinc/09/94/47/570099447.db2.gz	LSOZIRLVCIMNFX-MDBUFAAASA-N	0	0	491.363	5.771	40	5		JKBBRN
Cc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	ZINC000409011451	570099693	/nfs/dbraw/zinc/09/96/93/570099693.db2.gz	HVBIJHJMUFWNBT-NDENLUEZSA-N	0	0	453.907	5.584	40	5		JKBBRN
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409013459	570100275	/nfs/dbraw/zinc/10/02/75/570100275.db2.gz	NJWHNSGPDUSKPN-OTGIAGGSSA-N	0	0	491.363	5.771	40	5		JKBBRN
CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O	ZINC000409015436	570100991	/nfs/dbraw/zinc/10/09/91/570100991.db2.gz	NAFCGVJGYNXIGO-RQZCQDPDSA-N	0	0	467.330	5.925	40	5		JKBBRN
O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)Nc1ccccc1[N+](=O)[O-]	ZINC000409015993	570101224	/nfs/dbraw/zinc/10/12/24/570101224.db2.gz	QCJRBJXSPZHBFD-UHFFFAOYSA-N	0	0	483.333	5.027	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409016560	570101292	/nfs/dbraw/zinc/10/12/92/570101292.db2.gz	DOVZSADSLADPLH-PCXKXAPESA-N	0	0	456.520	5.407	40	5		JKBBRN
O=C1S/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000409018735	570102331	/nfs/dbraw/zinc/10/23/31/570102331.db2.gz	YUZWYBWDKXLJIY-UNOMPAQXSA-N	0	0	484.331	5.385	40	5		JKBBRN
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)N(C)C2=S)cc1	ZINC000409040168	570107312	/nfs/dbraw/zinc/10/73/12/570107312.db2.gz	XVNUYYMCEGSUGG-JLPGSUDCSA-N	0	0	489.553	5.177	40	5		JKBBRN
Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1	ZINC000409050636	570109775	/nfs/dbraw/zinc/10/97/75/570109775.db2.gz	YACRBDWTZKZGDI-JLPGSUDCSA-N	0	0	490.537	5.598	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl	ZINC000409052204	570110325	/nfs/dbraw/zinc/11/03/25/570110325.db2.gz	GTGOVGNDKQTBGK-UHFFFAOYSA-N	0	0	453.882	6.430	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000409055043	570111383	/nfs/dbraw/zinc/11/13/83/570111383.db2.gz	XTBRSBQMUVHIBG-UHFFFAOYSA-N	0	0	498.879	6.338	40	5		JKBBRN
O=C1NC(=Cc2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1c1cccc(Cl)c1	ZINC000409063843	570115612	/nfs/dbraw/zinc/11/56/12/570115612.db2.gz	AIPLELXVGYEIEE-BUVRLJJBSA-N	0	0	499.910	6.078	40	5		JKBBRN
CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409074730	570119536	/nfs/dbraw/zinc/11/95/36/570119536.db2.gz	VFTAETLOXWBGHZ-CIAFOILYSA-N	0	0	493.903	5.323	40	5		JKBBRN
COc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1	ZINC000409082236	570121940	/nfs/dbraw/zinc/12/19/40/570121940.db2.gz	ILXCJFILLPZGGY-UHFFFAOYSA-N	0	0	475.504	6.738	40	5		JKBBRN
Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1C	ZINC000409096415	570126795	/nfs/dbraw/zinc/12/67/95/570126795.db2.gz	JSHQKUSQFRWCSS-UHFFFAOYSA-N	0	0	471.464	6.024	40	5		JKBBRN
Cc1cccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)c1	ZINC000409096770	570126982	/nfs/dbraw/zinc/12/69/82/570126982.db2.gz	GPBWHAZIWDHJLC-UHFFFAOYSA-N	0	0	457.437	5.716	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	ZINC000409097054	570127110	/nfs/dbraw/zinc/12/71/10/570127110.db2.gz	MHDFNVRPFWIYOM-UHFFFAOYSA-N	0	0	477.855	6.061	40	5		JKBBRN
COc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000409098637	570127604	/nfs/dbraw/zinc/12/76/04/570127604.db2.gz	IXXOCIDSPWGXSS-UHFFFAOYSA-N	0	0	486.475	5.945	40	5		JKBBRN
CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O	ZINC000409098903	570127698	/nfs/dbraw/zinc/12/76/98/570127698.db2.gz	MPQBUISMTDBRNY-FZSIALSZSA-N	0	0	485.301	5.150	40	5		JKBBRN
O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000409100178	570128137	/nfs/dbraw/zinc/12/81/37/570128137.db2.gz	QJHGIPGMCGIJOE-NVMNQCDNSA-N	0	0	474.822	6.339	40	5		JKBBRN
CCc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1	ZINC000409105367	570129958	/nfs/dbraw/zinc/12/99/58/570129958.db2.gz	NBASTJDGFAMMCS-UHFFFAOYSA-N	0	0	450.951	6.351	40	5		JKBBRN
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O	ZINC000409105922	570130159	/nfs/dbraw/zinc/13/01/59/570130159.db2.gz	JZLSBEXYGDCSFL-LBFZPMSMSA-N	0	0	496.419	5.004	40	5		JKBBRN
O=[N+]([O-])c1ccc(Oc2ccccc2CNc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1	ZINC000409109426	570131515	/nfs/dbraw/zinc/13/15/15/570131515.db2.gz	DQJCLZOAPQYLQI-UHFFFAOYSA-N	0	0	457.442	6.700	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)cc1	ZINC000409109671	570131580	/nfs/dbraw/zinc/13/15/80/570131580.db2.gz	JCLUURICPDXZIP-UHFFFAOYSA-N	0	0	495.362	7.885	40	5		JKBBRN
CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(F)cc3)c(=O)c2c1C	ZINC000409111656	570132385	/nfs/dbraw/zinc/13/23/85/570132385.db2.gz	DRYOLHQORGEWHN-UHFFFAOYSA-N	0	0	469.563	6.048	40	5		JKBBRN
CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21	ZINC000409112053	570132529	/nfs/dbraw/zinc/13/25/29/570132529.db2.gz	AQMWFIFBCWNMLN-MOSHPQCFSA-N	0	0	479.330	5.843	40	5		JKBBRN
COc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409116486	570134276	/nfs/dbraw/zinc/13/42/76/570134276.db2.gz	MBHBFCSECSZDHV-UHFFFAOYSA-N	0	0	471.351	6.174	40	5		JKBBRN
CCOc1cc(CNc2ccc(CC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409116879	570134413	/nfs/dbraw/zinc/13/44/13/570134413.db2.gz	MHQMDJJGLVKJTM-UHFFFAOYSA-N	0	0	485.378	6.510	40	5		JKBBRN
CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(Cl)cc3)c(=O)c2c1C	ZINC000409117502	570134635	/nfs/dbraw/zinc/13/46/35/570134635.db2.gz	ODDKQVFIRFWYBM-UHFFFAOYSA-N	0	0	486.018	6.562	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)N1Cc1ccccc1	ZINC000409118554	570134960	/nfs/dbraw/zinc/13/49/60/570134960.db2.gz	OAYSSDZIRKLIPI-HHHXNRCGSA-N	0	0	467.500	6.095	40	5		JKBBRN
CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(OC)cc3)c(=O)c2c1C	ZINC000409119566	570135342	/nfs/dbraw/zinc/13/53/42/570135342.db2.gz	SVZSBMLFSXBERK-UHFFFAOYSA-N	0	0	481.599	5.917	40	5		JKBBRN
CC(C)c1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000409120557	570135686	/nfs/dbraw/zinc/13/56/86/570135686.db2.gz	UGPHSINYKZADAA-PMERELPUSA-N	0	0	491.591	7.080	40	5		JKBBRN
CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(OC)cc3)c(=O)c2c1C	ZINC000409129555	570139557	/nfs/dbraw/zinc/13/95/57/570139557.db2.gz	HBQHKVGJXCPDSQ-UHFFFAOYSA-N	0	0	481.599	5.917	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1	ZINC000409133860	570141383	/nfs/dbraw/zinc/14/13/83/570141383.db2.gz	UPMYRQJPYCKWEK-PXLXIMEGSA-N	0	0	464.499	5.533	40	5		JKBBRN
CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3cccc(C)c3)c(=O)c2c1C	ZINC000409135851	570142249	/nfs/dbraw/zinc/14/22/49/570142249.db2.gz	SNMZLFFPIANZHE-UHFFFAOYSA-N	0	0	465.600	6.217	40	5		JKBBRN
CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccc([N+](=O)[O-])c1	ZINC000409137173	570142760	/nfs/dbraw/zinc/14/27/60/570142760.db2.gz	VLVNNLCXFLEKBK-UHFFFAOYSA-N	0	0	471.627	5.459	40	5		JKBBRN
CCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(C)cc3)c(=O)c2c1C	ZINC000409137137	570142778	/nfs/dbraw/zinc/14/27/78/570142778.db2.gz	WMIAOLJMDYCUIN-UHFFFAOYSA-N	0	0	451.573	5.827	40	5		JKBBRN
CCc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000409139480	570143873	/nfs/dbraw/zinc/14/38/73/570143873.db2.gz	BASWFBWIGBIAKS-LJAQVGFWSA-N	0	0	477.564	6.519	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2Cl)N1Cc1ccccc1	ZINC000409139863	570144105	/nfs/dbraw/zinc/14/41/05/570144105.db2.gz	PBVZYPGUJFAFRJ-HHHXNRCGSA-N	0	0	483.955	6.610	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2Cl)N1Cc1ccccc1	ZINC000409139867	570144116	/nfs/dbraw/zinc/14/41/16/570144116.db2.gz	PBVZYPGUJFAFRJ-MHZLTWQESA-N	0	0	483.955	6.610	40	5		JKBBRN
O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1CCCc1ccccc1	ZINC000409142105	570145152	/nfs/dbraw/zinc/14/51/52/570145152.db2.gz	LFPXGCRWYSZMCZ-YZSQISJMSA-N	0	0	497.576	6.267	40	5		JKBBRN
O=S1(=O)c2ccccc2N[C@H](c2c3ccccc3cc3ccccc32)N1Cc1ccccc1	ZINC000409145096	570146486	/nfs/dbraw/zinc/14/64/86/570146486.db2.gz	PFKCFGUNOHRMIZ-NDEPHWFRSA-N	0	0	450.563	6.308	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1	ZINC000409146144	570147023	/nfs/dbraw/zinc/14/70/23/570147023.db2.gz	JVIXQUVMLLUJQH-JJIBRWJFSA-N	0	0	474.538	5.843	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Cl)cc1	ZINC000409159408	570151626	/nfs/dbraw/zinc/15/16/26/570151626.db2.gz	ZXVPOUGYZSTLGR-YBFXNURJSA-N	0	0	483.889	5.183	40	5		JKBBRN
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1	ZINC000409162930	570152518	/nfs/dbraw/zinc/15/25/18/570152518.db2.gz	JQNSQASBHNSWGK-UUYOSTAYSA-N	0	0	491.525	5.455	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1	ZINC000409168093	570153969	/nfs/dbraw/zinc/15/39/69/570153969.db2.gz	KCUBXNPYQPSJIV-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1	ZINC000409171076	570154895	/nfs/dbraw/zinc/15/48/95/570154895.db2.gz	XYFOUYISTMHSBC-WSDLNYQXSA-N	0	0	491.525	5.455	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1Cl	ZINC000409172413	570155348	/nfs/dbraw/zinc/15/53/48/570155348.db2.gz	HKMWYHZVFZLHFH-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
O=C(COc1ccc(Cl)cc1Cl)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000409172404	570155361	/nfs/dbraw/zinc/15/53/61/570155361.db2.gz	HISCMLRGQFFLOC-QFIPXVFZSA-N	0	0	460.269	5.448	40	5		JKBBRN
O=C(COc1ccc(Cl)cc1Cl)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000409172403	570155366	/nfs/dbraw/zinc/15/53/66/570155366.db2.gz	HISCMLRGQFFLOC-JOCHJYFZSA-N	0	0	460.269	5.448	40	5		JKBBRN
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1	ZINC000409173853	570155949	/nfs/dbraw/zinc/15/59/49/570155949.db2.gz	NZSYBZDURDXADZ-PCLIKHOPSA-N	0	0	466.562	6.230	40	5		JKBBRN
O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Cl)c(Cl)c1	ZINC000409173891	570155990	/nfs/dbraw/zinc/15/59/90/570155990.db2.gz	ORMSEQFJEMYTNE-UHFFFAOYSA-N	0	0	489.311	6.156	40	5		JKBBRN
Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)c1	ZINC000409174289	570156165	/nfs/dbraw/zinc/15/61/65/570156165.db2.gz	QYXZZNLZZKKDHU-UHFFFAOYSA-N	0	0	497.503	6.314	40	5		JKBBRN
Cc1ccc(NCc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1	ZINC000409174292	570156174	/nfs/dbraw/zinc/15/61/74/570156174.db2.gz	RCTBBUOUDXEWCY-UHFFFAOYSA-N	0	0	468.509	6.665	40	5		JKBBRN
O=C1NC(=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409174393	570156204	/nfs/dbraw/zinc/15/62/04/570156204.db2.gz	RWIHKDOELQWASK-FRKPEAEDSA-N	0	0	478.675	5.912	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1C(=O)c1ccccc1	ZINC000409175763	570156784	/nfs/dbraw/zinc/15/67/84/570156784.db2.gz	CHCCARCMQDPJPG-UHFFFAOYSA-N	0	0	453.450	5.975	40	5		JKBBRN
Cc1c(Br)cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000409176764	570157113	/nfs/dbraw/zinc/15/71/13/570157113.db2.gz	XAZFDSGJKJLNFD-NRFANRHFSA-N	0	0	499.273	5.355	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1ccccc1	ZINC000409176876	570157312	/nfs/dbraw/zinc/15/73/12/570157312.db2.gz	ZTSUVZOOUOMKBX-AREMUKBSSA-N	0	0	452.466	6.119	40	5		JKBBRN
Cc1ccc(Cl)cc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000409177090	570157409	/nfs/dbraw/zinc/15/74/09/570157409.db2.gz	AGBILVLXSHOBIR-RUZDIDTESA-N	0	0	480.904	5.443	40	5		JKBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000409177369	570157488	/nfs/dbraw/zinc/15/74/88/570157488.db2.gz	FOGILRHHWQKKEI-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409177421	570157506	/nfs/dbraw/zinc/15/75/06/570157506.db2.gz	AFZVDBWCHKMKRD-UHFFFAOYSA-N	0	0	473.506	5.238	40	5		JKBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	ZINC000409177649	570157576	/nfs/dbraw/zinc/15/75/76/570157576.db2.gz	HJOKZXXEMFPFFS-UHFFFAOYSA-N	0	0	461.477	6.229	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	ZINC000409177626	570157583	/nfs/dbraw/zinc/15/75/83/570157583.db2.gz	BDTNOUHUUBTOCW-UHFFFAOYSA-N	0	0	494.459	5.545	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1	ZINC000409177614	570157628	/nfs/dbraw/zinc/15/76/28/570157628.db2.gz	COIORBURDRMQNA-JWQCQUIFSA-N	0	0	498.491	5.200	40	5		JKBBRN
Cc1c(Cl)cccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000409177763	570157679	/nfs/dbraw/zinc/15/76/79/570157679.db2.gz	CTCGUHITUJEJOD-VWLOTQADSA-N	0	0	480.904	5.443	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c(C)c1	ZINC000409178274	570157910	/nfs/dbraw/zinc/15/79/10/570157910.db2.gz	GBWNZDDXSUECFO-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21	ZINC000409178577	570157986	/nfs/dbraw/zinc/15/79/86/570157986.db2.gz	GWPUSSDFKRXJIK-MHZLTWQESA-N	0	0	483.480	5.029	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl	ZINC000409178675	570157994	/nfs/dbraw/zinc/15/79/94/570157994.db2.gz	MQPILFJGQADGNE-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2cccs2)nc2ccccc21	ZINC000409178562	570158019	/nfs/dbraw/zinc/15/80/19/570158019.db2.gz	LHLXHJVPGXQASL-UHFFFAOYSA-N	0	0	482.517	7.021	40	5		JKBBRN
Cc1ccc(C)c(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1	ZINC000409178979	570158088	/nfs/dbraw/zinc/15/80/88/570158088.db2.gz	LVXUDMHICVEXBT-AREMUKBSSA-N	0	0	460.486	5.098	40	5		JKBBRN
O=C(CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc2cccnc21	ZINC000409178806	570158139	/nfs/dbraw/zinc/15/81/39/570158139.db2.gz	OVLIYDNCHNBWLU-UHFFFAOYSA-N	0	0	471.469	5.397	40	5		JKBBRN
Cc1cccc(OCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000409178874	570158153	/nfs/dbraw/zinc/15/81/53/570158153.db2.gz	OBLHFOCTQNTCPO-NDEPHWFRSA-N	0	0	481.504	6.263	40	5		JKBBRN
Cc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1	ZINC000409179257	570158263	/nfs/dbraw/zinc/15/82/63/570158263.db2.gz	OERWAKIKAHENOP-UHFFFAOYSA-N	0	0	490.515	7.268	40	5		JKBBRN
Cc1cccc(OCc2ccc(C(=O)Oc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)c1	ZINC000409179415	570158340	/nfs/dbraw/zinc/15/83/40/570158340.db2.gz	NBHSOWDVSHXZNW-UHFFFAOYSA-N	0	0	455.466	6.494	40	5		JKBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1	ZINC000409179784	570158535	/nfs/dbraw/zinc/15/85/35/570158535.db2.gz	SJUVEUQTSZIBOR-KGVSQERTSA-N	0	0	492.340	5.354	40	5		JKBBRN
CCC(=O)Nc1cc(OC)c(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl	ZINC000409179894	570158542	/nfs/dbraw/zinc/15/85/42/570158542.db2.gz	PHYDEOFWFJYFSL-UHFFFAOYSA-N	0	0	484.892	5.755	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1	ZINC000409179808	570158585	/nfs/dbraw/zinc/15/85/85/570158585.db2.gz	TXCSAQDQAAGVON-PLQXJYEYSA-N	0	0	498.491	5.200	40	5		JKBBRN
O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1	ZINC000409180484	570158882	/nfs/dbraw/zinc/15/88/82/570158882.db2.gz	UFOKWZNDXIGMQB-XMMPIXPASA-N	0	0	466.877	5.134	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000409181132	570159233	/nfs/dbraw/zinc/15/92/33/570159233.db2.gz	XKICAUKUKOPKRJ-UHFFFAOYSA-N	0	0	459.885	6.987	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1	ZINC000409181329	570159340	/nfs/dbraw/zinc/15/93/40/570159340.db2.gz	BHQQXHAIUGIANZ-WSDLNYQXSA-N	0	0	491.525	5.455	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	ZINC000409181519	570159408	/nfs/dbraw/zinc/15/94/08/570159408.db2.gz	CLAUHTSOUHBMOK-FQEVSTJZSA-N	0	0	475.240	5.591	40	5		JKBBRN
O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc(C(F)(F)F)c1	ZINC000409181677	570159491	/nfs/dbraw/zinc/15/94/91/570159491.db2.gz	DSIYMPQEVRTLPS-UHFFFAOYSA-N	0	0	488.418	5.868	40	5		JKBBRN
Cc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c([N+](=O)[O-])c1	ZINC000409181683	570159503	/nfs/dbraw/zinc/15/95/03/570159503.db2.gz	DWLGQIZIDVVKFE-UHFFFAOYSA-N	0	0	479.445	5.066	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409181645	570159561	/nfs/dbraw/zinc/15/95/61/570159561.db2.gz	DMUIDUYAYZQDAV-SANMLTNESA-N	0	0	498.447	6.076	40	5		JKBBRN
O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	ZINC000409181810	570159570	/nfs/dbraw/zinc/15/95/70/570159570.db2.gz	FKMHBDOYDZTYAJ-AREMUKBSSA-N	0	0	480.476	5.628	40	5		JKBBRN
O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000409181919	570159580	/nfs/dbraw/zinc/15/95/80/570159580.db2.gz	GRAKWHFATOWTJB-XMMPIXPASA-N	0	0	466.877	5.134	40	5		JKBBRN
CCC(=O)Nc1cc(OC)c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000409181956	570159642	/nfs/dbraw/zinc/15/96/42/570159642.db2.gz	HCHBFFYVBKBOIT-XMMPIXPASA-N	0	0	496.903	5.386	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc21	ZINC000409182724	570159918	/nfs/dbraw/zinc/15/99/18/570159918.db2.gz	OLGVCADBBDBQQT-GDLZYMKVSA-N	0	0	488.499	6.591	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc21	ZINC000409182725	570159998	/nfs/dbraw/zinc/15/99/98/570159998.db2.gz	OLGVCADBBDBQQT-LJAQVGFWSA-N	0	0	488.499	6.591	40	5		JKBBRN
O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000409182950	570160037	/nfs/dbraw/zinc/16/00/37/570160037.db2.gz	PHAMUNPNZBDLBU-SANMLTNESA-N	0	0	480.476	5.628	40	5		JKBBRN
CCOc1cc(CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409183010	570160104	/nfs/dbraw/zinc/16/01/04/570160104.db2.gz	REJGPNVCGPZTAM-UHFFFAOYSA-N	0	0	491.769	6.601	40	5		JKBBRN
Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000409183751	570160266	/nfs/dbraw/zinc/16/02/66/570160266.db2.gz	UOIJCJMQIJJDDB-HHHXNRCGSA-N	0	0	483.955	6.922	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000409183886	570160276	/nfs/dbraw/zinc/16/02/76/570160276.db2.gz	UOZPIKVVQOPSNF-UHFFFAOYSA-N	0	0	473.235	5.415	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000409183884	570160311	/nfs/dbraw/zinc/16/03/11/570160311.db2.gz	VZGINXRFUBCKBX-UHFFFAOYSA-N	0	0	486.436	6.445	40	5		JKBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1	ZINC000409184665	570160510	/nfs/dbraw/zinc/16/05/10/570160510.db2.gz	YYSBFDCMYIPXOS-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1	ZINC000409189140	570161399	/nfs/dbraw/zinc/16/13/99/570161399.db2.gz	DGMPBBRTTZIADG-YDZHTSKRSA-N	0	0	489.940	6.492	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccc(Cl)cc1	ZINC000409189691	570161528	/nfs/dbraw/zinc/16/15/28/570161528.db2.gz	NEDXKSSANDFTAR-FYJGNVAPSA-N	0	0	466.902	6.068	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000409190065	570161600	/nfs/dbraw/zinc/16/16/00/570161600.db2.gz	VNGBVXZZTFSWQO-YBFXNURJSA-N	0	0	456.863	5.758	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409190177	570161793	/nfs/dbraw/zinc/16/17/93/570161793.db2.gz	MBHCVYXNNVVEJE-CNHKJKLMSA-N	0	0	495.727	7.056	40	5		JKBBRN
Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)S3)cc1	ZINC000409195205	570163316	/nfs/dbraw/zinc/16/33/16/570163316.db2.gz	NMTBRMGVCKKWKD-QHCPKHFHSA-N	0	0	457.515	5.173	40	5		JKBBRN
COc1ccc(-c2s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n(C)c2-c2ccc(OC)cc2)cc1	ZINC000409196555	570163720	/nfs/dbraw/zinc/16/37/20/570163720.db2.gz	WBKVPLRTRVVMAN-QPLCGJKRSA-N	0	0	475.526	5.087	40	5		JKBBRN
COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1	ZINC000409196713	570163833	/nfs/dbraw/zinc/16/38/33/570163833.db2.gz	WHWNRSOQOQBQND-LCUIJRPUSA-N	0	0	479.945	5.732	40	5		JKBBRN
Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1	ZINC000409197827	570164019	/nfs/dbraw/zinc/16/40/19/570164019.db2.gz	PREIFEGVCYRSPF-IZHYLOQSSA-N	0	0	474.498	5.287	40	5		JKBBRN
O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1	ZINC000409197896	570164129	/nfs/dbraw/zinc/16/41/29/570164129.db2.gz	RLOVIKCXJDEVRP-UNOMPAQXSA-N	0	0	465.918	5.492	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409199490	570164703	/nfs/dbraw/zinc/16/47/03/570164703.db2.gz	DSCMVFKWQSZZFZ-WSDLNYQXSA-N	0	0	496.928	6.077	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCc1ccccc1	ZINC000409200525	570165092	/nfs/dbraw/zinc/16/50/92/570165092.db2.gz	HYADZMIMFAPXSI-KQWNVCNZSA-N	0	0	460.511	5.453	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1cccc(Cl)c1	ZINC000409201727	570165612	/nfs/dbraw/zinc/16/56/12/570165612.db2.gz	NTIWJCIORZYELZ-CIAFOILYSA-N	0	0	466.902	6.068	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409203371	570166367	/nfs/dbraw/zinc/16/63/67/570166367.db2.gz	XOHYHGWXEDZDJE-VXLYETTFSA-N	0	0	483.889	5.685	40	5		JKBBRN
Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)cc1Cl	ZINC000409204594	570166792	/nfs/dbraw/zinc/16/67/92/570166792.db2.gz	AUXSDVSNSASNAR-NHDPSOOVSA-N	0	0	462.845	5.120	40	5		JKBBRN
CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c1	ZINC000409204480	570166841	/nfs/dbraw/zinc/16/68/41/570166841.db2.gz	HABVBESELQPGHU-SOFYXZRVSA-N	0	0	498.369	5.299	40	5		JKBBRN
COc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409205663	570167052	/nfs/dbraw/zinc/16/70/52/570167052.db2.gz	JEMNFARGQZZRNS-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1C	ZINC000409206743	570167341	/nfs/dbraw/zinc/16/73/41/570167341.db2.gz	WXYZZYWXGNKQLP-RFBIWTDZSA-N	0	0	477.973	6.340	40	5		JKBBRN
O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1cccc(Cl)c1	ZINC000409209810	570168989	/nfs/dbraw/zinc/16/89/89/570168989.db2.gz	HHDJGFRYEZQSEU-FSJBWODESA-N	0	0	489.940	6.492	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1CCc1ccccc1	ZINC000409210250	570169311	/nfs/dbraw/zinc/16/93/11/570169311.db2.gz	FSOWGYBORPASBN-HYARGMPZSA-N	0	0	491.481	5.574	40	5		JKBBRN
COc1ccc(C(=O)N(C)CCc2cc(OC)c(OC)c3c2ccc2cc(OC)c(OC)cc23)cc1	ZINC000263585332	570171113	/nfs/dbraw/zinc/17/11/13/570171113.db2.gz	HMCNVDHOPJXJBW-UHFFFAOYSA-N	0	0	489.568	5.351	40	5	biogenic	JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1cccc(Cl)c1	ZINC000409214224	570171528	/nfs/dbraw/zinc/17/15/28/570171528.db2.gz	WXSYGJUJCPEDIT-CNHKJKLMSA-N	0	0	495.727	7.056	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409215679	570172231	/nfs/dbraw/zinc/17/22/31/570172231.db2.gz	DINHVRCQFIQMGJ-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c(C)c1	ZINC000409215789	570172341	/nfs/dbraw/zinc/17/23/41/570172341.db2.gz	FGMQSYFUIUZHGV-IDUWFGFVSA-N	0	0	480.329	5.193	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409216718	570172912	/nfs/dbraw/zinc/17/29/12/570172912.db2.gz	KOYJFSDARJOWKU-LFVJCYFKSA-N	0	0	490.537	5.461	40	5		JKBBRN
Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1	ZINC000409231638	570178068	/nfs/dbraw/zinc/17/80/68/570178068.db2.gz	DPWZEPFGECKCCI-UDWIEESQSA-N	0	0	497.429	5.807	40	5		JKBBRN
CC(C)(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328978419	570180406	/nfs/dbraw/zinc/18/04/06/570180406.db2.gz	FZCHJPIIBMKUCW-UHFFFAOYSA-N	0	0	461.444	5.773	40	5		JKBBRN
Cc1ccc(CN2C(=O)N/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)cc1	ZINC000409238511	570180853	/nfs/dbraw/zinc/18/08/53/570180853.db2.gz	DSKYHQYZTXYBFJ-WGOQTCKBSA-N	0	0	493.519	5.728	40	5		JKBBRN
CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	ZINC000409239029	570181016	/nfs/dbraw/zinc/18/10/16/570181016.db2.gz	YUGGHSPZKVLXTK-WOJGMQOQSA-N	0	0	462.911	5.282	40	5		JKBBRN
COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)c([N+](=O)[O-])c1	ZINC000329004270	570181186	/nfs/dbraw/zinc/18/11/86/570181186.db2.gz	KQQHMGMCAYAOEN-UHFFFAOYSA-N	0	0	477.443	5.913	40	5		JKBBRN
O=[N+]([O-])c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1	ZINC000329006362	570181355	/nfs/dbraw/zinc/18/13/55/570181355.db2.gz	LDNUQQRJEJKDBU-UHFFFAOYSA-N	0	0	459.428	6.049	40	5		JKBBRN
CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329008974	570181460	/nfs/dbraw/zinc/18/14/60/570181460.db2.gz	LTTREGZYFYDPKY-GFCCVEGCSA-N	0	0	481.862	5.402	40	5		JKBBRN
CC(C)(C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329008554	570181491	/nfs/dbraw/zinc/18/14/91/570181491.db2.gz	LTCSPSATQZPIBZ-UHFFFAOYSA-N	0	0	481.862	6.558	40	5		JKBBRN
CC(C)(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329017854	570181723	/nfs/dbraw/zinc/18/17/23/570181723.db2.gz	NNEZJNZFVPJSAC-UHFFFAOYSA-N	0	0	461.444	5.773	40	5		JKBBRN
CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O	ZINC000409240533	570181755	/nfs/dbraw/zinc/18/17/55/570181755.db2.gz	QFZQDEBVWBEUBI-WOJGMQOQSA-N	0	0	477.336	5.383	40	5		JKBBRN
O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1	ZINC000329014799	570181833	/nfs/dbraw/zinc/18/18/33/570181833.db2.gz	MYMMBSMZWZSABX-UHFFFAOYSA-N	0	0	491.445	5.422	40	5		JKBBRN
Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1	ZINC000409244220	570183308	/nfs/dbraw/zinc/18/33/08/570183308.db2.gz	ZTHGKNVPEFKNAI-QGMBQPNBSA-N	0	0	472.284	5.563	40	5		JKBBRN
COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409244692	570183617	/nfs/dbraw/zinc/18/36/17/570183617.db2.gz	HHQFPKTYWPEVNL-WOJGMQOQSA-N	0	0	497.356	5.553	40	5		JKBBRN
COCCCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O	ZINC000409244962	570183704	/nfs/dbraw/zinc/18/37/04/570183704.db2.gz	LFXTYXJVGXYEPC-HZHRSRAPSA-N	0	0	478.526	5.400	40	5		JKBBRN
Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)c1	ZINC000409246670	570184463	/nfs/dbraw/zinc/18/44/63/570184463.db2.gz	ACXZJGUJFWMLOW-QGMBQPNBSA-N	0	0	472.284	5.563	40	5		JKBBRN
CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O	ZINC000409246858	570184530	/nfs/dbraw/zinc/18/45/30/570184530.db2.gz	FKIWYCCRLKSFSW-LICLKQGHSA-N	0	0	467.330	5.927	40	5		JKBBRN
COCCCN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O	ZINC000409248210	570184956	/nfs/dbraw/zinc/18/49/56/570184956.db2.gz	GVDPWJQHXWUYBI-HZHRSRAPSA-N	0	0	478.526	5.400	40	5		JKBBRN
O=c1[nH]c(-c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)nc2sc3c(c21)CCCC3	ZINC000409266923	570188592	/nfs/dbraw/zinc/18/85/92/570188592.db2.gz	ZBOSEJZTJLLLJB-UHFFFAOYSA-N	0	0	464.459	5.551	40	5		JKBBRN
COc1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409270674	570189125	/nfs/dbraw/zinc/18/91/25/570189125.db2.gz	IFJBCTZNFAFIGW-SRZZPIQSSA-N	0	0	498.900	5.436	40	5		JKBBRN
COc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409270579	570189144	/nfs/dbraw/zinc/18/91/44/570189144.db2.gz	QZCNEAMMTVNIEE-UHFFFAOYSA-N	0	0	494.485	5.560	40	5		JKBBRN
COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408542124	570191759	/nfs/dbraw/zinc/19/17/59/570191759.db2.gz	HGOKMDPKVOPOBQ-DAXSKMNVSA-N	0	0	465.340	5.790	40	5		JKBBRN
COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(I)cc1	ZINC000408545500	570192972	/nfs/dbraw/zinc/19/29/72/570192972.db2.gz	ZHNCZVLARMSPHJ-UXBLZVDNSA-N	0	0	492.269	5.254	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)c(Cl)c2)cc1	ZINC000408554852	570196469	/nfs/dbraw/zinc/19/64/69/570196469.db2.gz	FXRNMOATBYUYBJ-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2cccc([N+](=O)[O-])c2)cc1	ZINC000408554798	570196412	/nfs/dbraw/zinc/19/64/12/570196412.db2.gz	FSJGAOPCSMISDD-UHFFFAOYSA-N	0	0	458.268	5.457	40	5		JKBBRN
O=C1CS[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N1c1ccc(Cl)cc1	ZINC000408554984	570196543	/nfs/dbraw/zinc/19/65/43/570196543.db2.gz	GNRHLPRMPMCZHI-QFIPXVFZSA-N	0	0	475.353	6.259	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1	ZINC000408557544	570198319	/nfs/dbraw/zinc/19/83/19/570198319.db2.gz	OMVODXRKPAPZLE-UHFFFAOYSA-N	0	0	457.324	5.947	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000408557616	570198374	/nfs/dbraw/zinc/19/83/74/570198374.db2.gz	PLXZWOGOAJWCEI-UHFFFAOYSA-N	0	0	491.769	6.601	40	5		JKBBRN
Cc1cccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Br)c1	ZINC000408558439	570198944	/nfs/dbraw/zinc/19/89/44/570198944.db2.gz	REKRIBLOBBDPFA-UHFFFAOYSA-N	0	0	470.323	5.295	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(Cl)c1	ZINC000408558514	570199051	/nfs/dbraw/zinc/19/90/51/570199051.db2.gz	RPRIQHLGPPLISY-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	ZINC000408558529	570199092	/nfs/dbraw/zinc/19/90/92/570199092.db2.gz	UUIYFAQQOUAKBB-UHFFFAOYSA-N	0	0	492.167	6.311	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F	ZINC000408558884	570199313	/nfs/dbraw/zinc/19/93/13/570199313.db2.gz	SWPOYLMTTAYPTQ-UHFFFAOYSA-N	0	0	461.287	5.696	40	5		JKBBRN
CCOc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408559076	570199432	/nfs/dbraw/zinc/19/94/32/570199432.db2.gz	XIACQSNRJCHOIX-UHFFFAOYSA-N	0	0	491.769	6.601	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408561505	570201158	/nfs/dbraw/zinc/20/11/58/570201158.db2.gz	IZNZCTUYQRKMIR-GFMRDNFCSA-N	0	0	484.792	6.408	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Br)cc1	ZINC000408561542	570201196	/nfs/dbraw/zinc/20/11/96/570201196.db2.gz	JKBJPCJXITXQNX-XDOYNYLZSA-N	0	0	460.353	5.211	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Cl)cc1	ZINC000408562251	570201637	/nfs/dbraw/zinc/20/16/37/570201637.db2.gz	OIRRENMUEZTTRA-ATJXCDBQSA-N	0	0	450.347	5.755	40	5		JKBBRN
CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408562720	570201864	/nfs/dbraw/zinc/20/18/64/570201864.db2.gz	RSOBCEXYIHNGJF-NMWGTECJSA-N	0	0	470.765	6.154	40	5		JKBBRN
CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000408562642	570201877	/nfs/dbraw/zinc/20/18/77/570201877.db2.gz	RCQUNAJNXHDWJD-ATJXCDBQSA-N	0	0	466.346	5.510	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1	ZINC000408562527	570201884	/nfs/dbraw/zinc/20/18/84/570201884.db2.gz	QRDYDXPXUIYNMI-FCQUAONHSA-N	0	0	454.508	5.055	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)N1CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408563124	570202092	/nfs/dbraw/zinc/20/20/92/570202092.db2.gz	JCSBPNUZGRBDAO-LYBHJNIJSA-N	0	0	455.514	5.400	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1	ZINC000408563112	570202107	/nfs/dbraw/zinc/20/21/07/570202107.db2.gz	UDUOKUPJYOGSKZ-LNVKXUELSA-N	0	0	474.926	5.400	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	ZINC000408564672	570202725	/nfs/dbraw/zinc/20/27/25/570202725.db2.gz	DNSIGFNSTHVEOC-RZPHLTDDSA-N	0	0	498.366	5.094	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc(F)c1	ZINC000408564886	570202851	/nfs/dbraw/zinc/20/28/51/570202851.db2.gz	AQNHEUUKUNIZAQ-HXUWFJFHSA-N	0	0	499.336	6.066	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1	ZINC000408564987	570202929	/nfs/dbraw/zinc/20/29/29/570202929.db2.gz	AWQBVVBSYPTHFU-DEOSSOPVSA-N	0	0	494.548	5.413	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(F)cc1	ZINC000408564983	570202932	/nfs/dbraw/zinc/20/29/32/570202932.db2.gz	AWJVEMSRKYAYPM-HSZRJFAPSA-N	0	0	464.522	5.404	40	5		JKBBRN
CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1	ZINC000408565105	570203032	/nfs/dbraw/zinc/20/30/32/570203032.db2.gz	BEMBSPODMSAFGU-LJQANCHMSA-N	0	0	477.384	5.155	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	ZINC000408565096	570203068	/nfs/dbraw/zinc/20/30/68/570203068.db2.gz	HRAWXSGSMMPZFZ-LAMXGVLKSA-N	0	0	498.366	5.094	40	5		JKBBRN
COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1	ZINC000408565095	570203076	/nfs/dbraw/zinc/20/30/76/570203076.db2.gz	BEFUNBRXZJKWJY-KRWDZBQOSA-N	0	0	483.775	5.110	40	5		JKBBRN
COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1	ZINC000408565097	570203094	/nfs/dbraw/zinc/20/30/94/570203094.db2.gz	BEFUNBRXZJKWJY-QGZVFWFLSA-N	0	0	483.775	5.110	40	5		JKBBRN
CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1	ZINC000409328660	570203126	/nfs/dbraw/zinc/20/31/26/570203126.db2.gz	ZNUNLZRLHSLEFG-ZDLGFXPLSA-N	0	0	459.911	5.047	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(Cl)cc1	ZINC000408565346	570203170	/nfs/dbraw/zinc/20/31/70/570203170.db2.gz	BTGDTYBUHIEWQO-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Cl	ZINC000408565893	570203503	/nfs/dbraw/zinc/20/35/03/570203503.db2.gz	DDCOOSUSVAFFGN-LJQANCHMSA-N	0	0	481.405	6.008	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1	ZINC000408565767	570203513	/nfs/dbraw/zinc/20/35/13/570203513.db2.gz	DBWOJNJSNAXGMI-DEOSSOPVSA-N	0	0	494.548	5.413	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000408566204	570203605	/nfs/dbraw/zinc/20/36/05/570203605.db2.gz	FBLFDXZMITVIAP-QFIPXVFZSA-N	0	0	451.320	5.918	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000408566202	570203608	/nfs/dbraw/zinc/20/36/08/570203608.db2.gz	FBLFDXZMITVIAP-JOCHJYFZSA-N	0	0	451.320	5.918	40	5		JKBBRN
CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC	ZINC000408566367	570203680	/nfs/dbraw/zinc/20/36/80/570203680.db2.gz	FLZHQZSUXRAFDW-FQEVSTJZSA-N	0	0	462.959	5.137	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(C)c(C)c1	ZINC000408566307	570203741	/nfs/dbraw/zinc/20/37/41/570203741.db2.gz	FGZYMKZHNUXVEL-RUZDIDTESA-N	0	0	474.586	5.882	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(C)cc1	ZINC000408566244	570203763	/nfs/dbraw/zinc/20/37/63/570203763.db2.gz	FDQXTAYYOOIYAT-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccccc1	ZINC000408567069	570203840	/nfs/dbraw/zinc/20/38/40/570203840.db2.gz	GGQKWOIUEGGFCR-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(F)cc1	ZINC000408566703	570203880	/nfs/dbraw/zinc/20/38/80/570203880.db2.gz	FZPTVNKBYOSCKE-NRFANRHFSA-N	0	0	469.310	6.057	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)cc1	ZINC000408566717	570203883	/nfs/dbraw/zinc/20/38/83/570203883.db2.gz	GACRZKBBRNLKFM-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1Cl	ZINC000408567205	570203947	/nfs/dbraw/zinc/20/39/47/570203947.db2.gz	GSJOHARNTFKVIY-SFHVURJKSA-N	0	0	483.377	5.400	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(F)cc1	ZINC000408567194	570203983	/nfs/dbraw/zinc/20/39/83/570203983.db2.gz	GRJTYIMDIPMIHS-HXUWFJFHSA-N	0	0	499.336	6.066	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1Cl	ZINC000408568188	570204131	/nfs/dbraw/zinc/20/41/31/570204131.db2.gz	HVUICMQTNLFVAX-OAQYLSRUSA-N	0	0	485.367	6.861	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(F)cc1	ZINC000408568111	570204166	/nfs/dbraw/zinc/20/41/66/570204166.db2.gz	HROIEIHHNYMJFV-QHCPKHFHSA-N	0	0	482.512	5.543	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(C)cc1	ZINC000408569102	570204234	/nfs/dbraw/zinc/20/42/34/570204234.db2.gz	IVEJBENPJSIYRR-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000408569071	570204287	/nfs/dbraw/zinc/20/42/87/570204287.db2.gz	IPNLIHJWCBHGED-FQEVSTJZSA-N	0	0	485.367	6.861	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1cccc(C)c1	ZINC000408569571	570204372	/nfs/dbraw/zinc/20/43/72/570204372.db2.gz	JQCACIFEVUKYPM-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408569214	570204380	/nfs/dbraw/zinc/20/43/80/570204380.db2.gz	JCYKQPZQQLYZPQ-FQEVSTJZSA-N	0	0	481.892	5.726	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	ZINC000408569525	570204385	/nfs/dbraw/zinc/20/43/85/570204385.db2.gz	JKBWRQCWHRIMKA-HXUWFJFHSA-N	0	0	496.317	5.826	40	5		JKBBRN
O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408569273	570204408	/nfs/dbraw/zinc/20/44/08/570204408.db2.gz	MQQOYBMZBHRKNE-UHFFFAOYSA-N	0	0	484.624	6.242	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1cccc(C)c1	ZINC000408569570	570204413	/nfs/dbraw/zinc/20/44/13/570204413.db2.gz	JQCACIFEVUKYPM-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1Cl	ZINC000408569209	570204430	/nfs/dbraw/zinc/20/44/30/570204430.db2.gz	JCRSMCPTJWAIMK-IBGZPJMESA-N	0	0	471.340	6.471	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccccc1	ZINC000408570002	570204513	/nfs/dbraw/zinc/20/45/13/570204513.db2.gz	KNXDKMHJYPADPW-HSZRJFAPSA-N	0	0	480.977	5.918	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccccc1	ZINC000408571006	570204604	/nfs/dbraw/zinc/20/46/04/570204604.db2.gz	MSCHETYUZNNNCF-QHCPKHFHSA-N	0	0	491.529	5.173	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(C)c(C)c1	ZINC000408571029	570204610	/nfs/dbraw/zinc/20/46/10/570204610.db2.gz	MWUUHIQZJPPCFN-RUZDIDTESA-N	0	0	474.586	5.882	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(F)c1	ZINC000408570891	570204612	/nfs/dbraw/zinc/20/46/12/570204612.db2.gz	MFBAXBVGPGHQMX-DEOSSOPVSA-N	0	0	494.548	5.413	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1cccc(C)c1	ZINC000408570993	570204626	/nfs/dbraw/zinc/20/46/26/570204626.db2.gz	MPRMYFOLLMLBPM-XMMPIXPASA-N	0	0	495.004	6.227	40	5		JKBBRN
CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC	ZINC000408570661	570204645	/nfs/dbraw/zinc/20/46/45/570204645.db2.gz	LUJCNRDEYKYFRM-QFIPXVFZSA-N	0	0	456.568	5.100	40	5		JKBBRN
CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1	ZINC000408570917	570204647	/nfs/dbraw/zinc/20/46/47/570204647.db2.gz	MHTOKVVCFAWQMR-VWLOTQADSA-N	0	0	490.585	5.664	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1	ZINC000408571154	570204666	/nfs/dbraw/zinc/20/46/66/570204666.db2.gz	NWVXLNKSOZVDDV-RUZDIDTESA-N	0	0	490.585	5.582	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1F	ZINC000408571377	570204731	/nfs/dbraw/zinc/20/47/31/570204731.db2.gz	ONYLQQZHDSOLQA-IBGZPJMESA-N	0	0	454.885	5.957	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccccc1	ZINC000408572310	570204911	/nfs/dbraw/zinc/20/49/11/570204911.db2.gz	QVTGJPQRAUSOSZ-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408572340	570204934	/nfs/dbraw/zinc/20/49/34/570204934.db2.gz	QXRXPLYDZYUVPZ-NRFANRHFSA-N	0	0	496.317	5.826	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(C)c(C)c1	ZINC000408572708	570205008	/nfs/dbraw/zinc/20/50/08/570205008.db2.gz	RWGNKNWKKWEWDG-VWLOTQADSA-N	0	0	492.576	6.021	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(C)c(C)c1	ZINC000408572707	570205030	/nfs/dbraw/zinc/20/50/30/570205030.db2.gz	RWGNKNWKKWEWDG-RUZDIDTESA-N	0	0	492.576	6.021	40	5		JKBBRN
CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl	ZINC000408573675	570205251	/nfs/dbraw/zinc/20/52/51/570205251.db2.gz	UAXQGXIQIDQPJF-GOSISDBHSA-N	0	0	467.378	5.700	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1Cl	ZINC000408573565	570205259	/nfs/dbraw/zinc/20/52/59/570205259.db2.gz	TWSWDHXQJCXKLS-NRFANRHFSA-N	0	0	450.922	6.208	40	5		JKBBRN
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000408576373	570205916	/nfs/dbraw/zinc/20/59/16/570205916.db2.gz	SVSQTVGOYFQNCZ-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1[N+](=O)[O-]	ZINC000408576480	570205953	/nfs/dbraw/zinc/20/59/53/570205953.db2.gz	VZCORRVETRSQNV-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc2ccccc2c1	ZINC000408577014	570206076	/nfs/dbraw/zinc/20/60/76/570206076.db2.gz	YJBDAZUSXULOKH-AREMUKBSSA-N	0	0	466.537	6.707	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Br)cc1	ZINC000408577097	570206090	/nfs/dbraw/zinc/20/60/90/570206090.db2.gz	YOJLXQKQYRROOO-NRFANRHFSA-N	0	0	481.346	5.927	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)nc1	ZINC000408580180	570206580	/nfs/dbraw/zinc/20/65/80/570206580.db2.gz	BAAWMZWOFRLYAG-UHFFFAOYSA-N	0	0	457.231	5.379	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc2c(c1)OCCO2	ZINC000001102741	194024592	/nfs/dbraw/zinc/02/45/92/194024592.db2.gz	YFWHRKPLFCWVAW-MFKUBSTISA-N	0	0	496.544	5.439	40	5		JKBBRN
CC(=O)c1ccc(NC(=O)CSc2ncnc3c4cc5cc(C)cc(C)c5nc4sc32)cc1	ZINC000001327816	194088266	/nfs/dbraw/zinc/08/82/66/194088266.db2.gz	TVXOQKQBNKPIGH-UHFFFAOYSA-N	0	0	472.595	5.943	40	5		JKBBRN
Cc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cc2c1c(=O)oc1ccc3ccccc3c12	ZINC000001862466	194150892	/nfs/dbraw/zinc/15/08/92/194150892.db2.gz	TZLHQDZDLMPKSD-UHFFFAOYSA-N	0	0	455.469	6.729	40	5		JKBBRN
O=[N+]([O-])c1cc([C@H](O)Cc2ccc3ccccc3n2)ccc1[C@@H](O)Cc1ccc2ccccc2n1	ZINC000003845191	194364081	/nfs/dbraw/zinc/36/40/81/194364081.db2.gz	NQCMQHOPGXXXNG-IZLXSDGUSA-N	0	0	465.509	5.243	40	5		JKBBRN
O=[N+]([O-])c1ccc(Oc2sc(Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)cc1	ZINC000003666743	194357210	/nfs/dbraw/zinc/35/72/10/194357210.db2.gz	MFMBMBJMDPWGGD-UHFFFAOYSA-N	0	0	458.326	7.561	40	5		JKBBRN
CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1	ZINC000009404560	194743213	/nfs/dbraw/zinc/74/32/13/194743213.db2.gz	WYFBQCDVNBAGTO-IZHYLOQSSA-N	0	0	460.563	5.362	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(C)cc5)nc4c3)o2)c([N+](=O)[O-])c1	ZINC000020609975	195182964	/nfs/dbraw/zinc/18/29/64/195182964.db2.gz	BUOZIUDJQRZMMS-UHFFFAOYSA-N	0	0	469.457	5.158	40	5		JKBBRN
Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020609974	195183067	/nfs/dbraw/zinc/18/30/67/195183067.db2.gz	MMMZLNCHGFIDLD-UHFFFAOYSA-N	0	0	453.458	5.458	40	5		JKBBRN
CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610174	195183363	/nfs/dbraw/zinc/18/33/63/195183363.db2.gz	NNUNNRUCJIDFKI-UHFFFAOYSA-N	0	0	467.485	5.712	40	5		JKBBRN
CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610175	195183416	/nfs/dbraw/zinc/18/34/16/195183416.db2.gz	YDYSXPPJEAWTEI-UHFFFAOYSA-N	0	0	483.484	5.412	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1	ZINC000020610634	195183858	/nfs/dbraw/zinc/18/38/58/195183858.db2.gz	ASZVCOIQAGSOST-UHFFFAOYSA-N	0	0	481.512	6.273	40	5		JKBBRN
COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020611290	195184898	/nfs/dbraw/zinc/18/48/98/195184898.db2.gz	UXKDFVRQKBKJIH-UHFFFAOYSA-N	0	0	499.483	5.167	40	5		JKBBRN
CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020611233	195184967	/nfs/dbraw/zinc/18/49/67/195184967.db2.gz	CVGAAMHJWXAPGY-UHFFFAOYSA-N	0	0	497.511	5.720	40	5		JKBBRN
CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000020611212	195184986	/nfs/dbraw/zinc/18/49/86/195184986.db2.gz	TXTYJSJHUXDJRF-UHFFFAOYSA-N	0	0	484.560	5.442	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCOCC2)c(Br)c1	ZINC000020611601	195185551	/nfs/dbraw/zinc/18/55/51/195185551.db2.gz	JYKWZOJMPIDHEV-JXMROGBWSA-N	0	0	498.333	5.106	40	5		JKBBRN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1	ZINC000020969970	195257489	/nfs/dbraw/zinc/25/74/89/195257489.db2.gz	AGSDRFYPEDUQOA-QFIPXVFZSA-N	0	0	477.883	5.665	40	5		JKBBRN
CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000020970349	195257649	/nfs/dbraw/zinc/25/76/49/195257649.db2.gz	JHLRPPKJNRYALT-XMMPIXPASA-N	0	0	469.501	5.271	40	5		JKBBRN
CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cc([N+](=O)[O-])ccc1Cl	ZINC000021005580	195265653	/nfs/dbraw/zinc/26/56/53/195265653.db2.gz	GSVWDSLHHGLUCD-QHCPKHFHSA-N	0	0	474.904	5.587	40	5		JKBBRN
CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1	ZINC000021005499	195265723	/nfs/dbraw/zinc/26/57/23/195265723.db2.gz	PXKKIHMUKRXSNO-QFIPXVFZSA-N	0	0	459.893	5.526	40	5		JKBBRN
COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N+](=O)[O-]	ZINC000021123753	195279882	/nfs/dbraw/zinc/27/98/82/195279882.db2.gz	FLLRXWBMVGHAIA-SOFGYWHQSA-N	0	0	457.826	5.385	40	5		JKBBRN
Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2cc1C	ZINC000021578699	195316511	/nfs/dbraw/zinc/31/65/11/195316511.db2.gz	XYVZRIBTXLLMPL-UHFFFAOYSA-N	0	0	470.529	6.181	40	5		JKBBRN
Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1	ZINC000059179555	195393568	/nfs/dbraw/zinc/39/35/68/195393568.db2.gz	IDTWVRZULOCBJF-UHFFFAOYSA-N	0	0	456.524	5.028	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(-c4cc5ccccc5oc4=O)cc3)cc2[N+](=O)[O-])CC1	ZINC000059294252	195396937	/nfs/dbraw/zinc/39/69/37/195396937.db2.gz	UEFNTAOZUKMGOR-UHFFFAOYSA-N	0	0	483.524	5.857	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1	ZINC000059294568	195397092	/nfs/dbraw/zinc/39/70/92/195397092.db2.gz	BAHCPPFDDYISRG-UHFFFAOYSA-N	0	0	479.901	6.532	40	5		JKBBRN
O=C(CSc1ccccn1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000059364921	195398097	/nfs/dbraw/zinc/39/80/97/195398097.db2.gz	MIMIKLSBKCETTG-UHFFFAOYSA-N	0	0	468.585	5.623	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2Br)cc1	ZINC000059409115	195399149	/nfs/dbraw/zinc/39/91/49/195399149.db2.gz	AMBYFLDBFVIUGG-NRFANRHFSA-N	0	0	470.348	5.633	40	5		JKBBRN
Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000059463600	195403268	/nfs/dbraw/zinc/40/32/68/195403268.db2.gz	AQGBKZFFSVUARM-UHFFFAOYSA-N	0	0	471.582	7.244	40	5		JKBBRN
Cc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000059463598	195403327	/nfs/dbraw/zinc/40/33/27/195403327.db2.gz	PQSQCUBJMUCMFW-UHFFFAOYSA-N	0	0	460.471	5.854	40	5		JKBBRN
O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)sc2c1	ZINC000059489578	195406766	/nfs/dbraw/zinc/40/67/66/195406766.db2.gz	JXCZLEMLFRYLRJ-UHFFFAOYSA-N	0	0	486.534	5.779	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000106687716	195457626	/nfs/dbraw/zinc/45/76/26/195457626.db2.gz	LVLKKSLTXKSGEC-XKZIYDEJSA-N	0	0	480.929	6.064	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	ZINC000106688128	195457873	/nfs/dbraw/zinc/45/78/73/195457873.db2.gz	AVSHVNDSXVPQAX-MOSHPQCFSA-N	0	0	463.471	5.027	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1Cc1ccccc1F	ZINC000106697602	195458234	/nfs/dbraw/zinc/45/82/34/195458234.db2.gz	XOYCCIQOZJFGCZ-CFRMEGHHSA-N	0	0	487.512	5.973	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc(C)c4)C3=O)cc2[N+](=O)[O-])cc1	ZINC000106707258	195459335	/nfs/dbraw/zinc/45/93/35/195459335.db2.gz	VGNHRRDTNSYGIQ-UCQKPKSFSA-N	0	0	476.579	6.599	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1	ZINC000106707376	195459364	/nfs/dbraw/zinc/45/93/64/195459364.db2.gz	NZDSDJDSHGSSKQ-XKZIYDEJSA-N	0	0	496.997	6.944	40	5		JKBBRN
O=C1S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000409230957	195505774	/nfs/dbraw/zinc/50/57/74/195505774.db2.gz	HGIXIDALELDJJN-ZVHZXABRSA-N	0	0	487.512	5.973	40	5		JKBBRN
Cc1cccc(CN2C(=O)N/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)c1	ZINC000409232124	195509086	/nfs/dbraw/zinc/50/90/86/195509086.db2.gz	ODGWRPFYDPEFNR-WGOQTCKBSA-N	0	0	493.519	5.728	40	5		JKBBRN
Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1	ZINC000096297413	130052098	/nfs/dbraw/zinc/05/20/98/130052098.db2.gz	BITHNFCOBAMDHH-BDTNDASRSA-N	0	0	498.322	5.261	40	5		JKBBRN
O=C1[C@@H]2[C@H](c3c4ccccc4cc4ccccc43)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1	ZINC000096297415	130052249	/nfs/dbraw/zinc/05/22/49/130052249.db2.gz	BRPVDHVWYDPSQO-NGDRWEMDSA-N	0	0	484.555	6.040	40	5		JKBBRN
O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1	ZINC000096298272	130052655	/nfs/dbraw/zinc/05/26/55/130052655.db2.gz	JRARFLXUKCVKRZ-VJGNERBWSA-N	0	0	491.503	5.313	40	5		JKBBRN
CCC(=O)n1c(C2CCCCC2)nc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(=O)CC	ZINC000016777992	521262685	/nfs/dbraw/zinc/26/26/85/521262685.db2.gz	BYJASIHGJWMXDH-UHFFFAOYSA-N	0	0	455.540	5.100	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1	ZINC000022754894	521264171	/nfs/dbraw/zinc/26/41/71/521264171.db2.gz	AMZLLJPTIGPYMR-UHFFFAOYSA-N	0	0	495.539	6.492	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022748167	521265200	/nfs/dbraw/zinc/26/52/00/521265200.db2.gz	CAEPORRUMFFELM-UKTHLTGXSA-N	0	0	489.963	6.285	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1	ZINC000022718366	522044175	/nfs/dbraw/zinc/04/41/75/522044175.db2.gz	VOUMWWWBTIGBRH-KRWDZBQOSA-N	0	0	481.508	7.429	40	5		JKBBRN
CC[C@@H](c1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3ncn2n1)n1cc(Cl)cn1	ZINC000022532655	523127618	/nfs/dbraw/zinc/12/76/18/523127618.db2.gz	BPFKMYMNMIWLNL-JTQLQIEISA-N	0	0	451.865	5.064	40	5		JKBBRN
COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c4ccccc4ccc23)c1	ZINC000012488009	524851468	/nfs/dbraw/zinc/85/14/68/524851468.db2.gz	QOUUXWWPCCRGQA-UHFFFAOYSA-N	0	0	495.604	6.506	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000022512549	526086720	/nfs/dbraw/zinc/08/67/20/526086720.db2.gz	LPRXETXZRWEDSI-UHFFFAOYSA-N	0	0	452.532	5.233	40	5		JKBBRN
Fc1ccccc1/C=C/c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccc3ccccc3c12	ZINC000008763937	526407181	/nfs/dbraw/zinc/40/71/81/526407181.db2.gz	NBEWMNRMWMNSMG-KNTRCKAVSA-N	0	0	451.544	9.032	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000035152987	527102344	/nfs/dbraw/zinc/10/23/44/527102344.db2.gz	NYYHHOOJOODDCY-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=c1[nH]c2c(Br)c([N+](=O)[O-])c(Br)cc2c2ccc(Br)cc12	ZINC000008649795	527319012	/nfs/dbraw/zinc/31/90/12/527319012.db2.gz	BKPCLEXGHYSZEA-UHFFFAOYSA-N	0	0	476.906	5.289	40	5		JKBBRN
O=c1c2ccc(C3=C[C@H](c4ccccc4)NN3c3ccccc3)c3cccc(c4nc5ccccc5n41)c32	ZINC000016478281	527463297	/nfs/dbraw/zinc/46/32/97/527463297.db2.gz	FENKRRQVHGYMOU-MUUNZHRXSA-N	0	0	490.566	6.699	40	5		JKBBRN
Cc1nn(-c2ccccc2)c(C)c1CCc1nc2c3sc4nc(C(F)F)cc(C)c4c3ncn2n1	ZINC000022747546	527539983	/nfs/dbraw/zinc/53/99/83/527539983.db2.gz	GWNLZMFPHZIKQA-UHFFFAOYSA-N	0	0	489.555	5.721	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1	ZINC000026124133	527605055	/nfs/dbraw/zinc/60/50/55/527605055.db2.gz	CXCWBLZOVBRMQZ-SDNWHVSQSA-N	0	0	469.432	5.380	40	5		JKBBRN
Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1[N+](=O)[O-]	ZINC000000817417	553785564	/nfs/dbraw/zinc/78/55/64/553785564.db2.gz	QFQWWAAZYIAEMN-UHFFFAOYSA-N	0	0	454.280	5.170	40	5		JKBBRN
O=C(COC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000000839001	553792920	/nfs/dbraw/zinc/79/29/20/553792920.db2.gz	SHQJPGSCVXSQER-UHFFFAOYSA-N	0	0	480.476	5.613	40	5		JKBBRN
O=C(CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000853522	553799127	/nfs/dbraw/zinc/79/91/27/553799127.db2.gz	XRBXAMRZIUEYNE-UHFFFAOYSA-N	0	0	450.322	5.315	40	5	aggregator	JKBBRN
Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1	ZINC000000863698	553804133	/nfs/dbraw/zinc/80/41/33/553804133.db2.gz	GWMODMFRACIKFU-UHFFFAOYSA-N	0	0	488.573	5.135	40	5		JKBBRN
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1	ZINC000000868880	553807496	/nfs/dbraw/zinc/80/74/96/553807496.db2.gz	HJIHWTVBSQYMHX-UHFFFAOYSA-N	0	0	459.531	5.190	40	5		JKBBRN
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1	ZINC000000868986	553807705	/nfs/dbraw/zinc/80/77/05/553807705.db2.gz	GFXYHLJFVUDHLF-UHFFFAOYSA-N	0	0	459.531	5.190	40	5		JKBBRN
O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)Nc1cccc([N+](=O)[O-])c1	ZINC000000869934	553808501	/nfs/dbraw/zinc/80/85/01/553808501.db2.gz	XMNJDHYZYINOHL-UHFFFAOYSA-N	0	0	450.907	5.589	40	5		JKBBRN
COc1ccc(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1	ZINC000000907450	553840243	/nfs/dbraw/zinc/84/02/43/553840243.db2.gz	YTICOIYXCZAQQA-UHFFFAOYSA-N	0	0	460.515	5.135	40	5		JKBBRN
CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000000951565	553881576	/nfs/dbraw/zinc/88/15/76/553881576.db2.gz	PCJYKQPTSNJCDX-UHFFFAOYSA-N	0	0	464.341	5.282	40	5		JKBBRN
O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc2cccnc21	ZINC000001266504	553938593	/nfs/dbraw/zinc/93/85/93/553938593.db2.gz	WNXPCNMSQDCZJI-UHFFFAOYSA-N	0	0	456.457	6.805	40	5		JKBBRN
O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000001671054	553982110	/nfs/dbraw/zinc/98/21/10/553982110.db2.gz	WPWQTHQBBNYGRT-UHFFFAOYSA-N	0	0	498.058	5.408	40	5		JKBBRN
O=[N+]([O-])c1cc(Br)cc(-c2c(Br)cc([N+](=O)[O-])cc2Br)c1	ZINC000001675951	553982448	/nfs/dbraw/zinc/98/24/48/553982448.db2.gz	QGVYARVYHWOZDW-UHFFFAOYSA-N	0	0	480.894	5.458	40	5		JKBBRN
O=C1c2cc(Br)ccc2-c2cc(Br)c([N+](=O)[O-])c(Br)c21	ZINC000001697049	553983125	/nfs/dbraw/zinc/98/31/25/553983125.db2.gz	UWSPSRQKEHFYSM-UHFFFAOYSA-N	0	0	461.891	5.094	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc3c(c2)OCO3)cc1/C=C/c1ccc2c(c1)OCO2	ZINC000001714409	553984334	/nfs/dbraw/zinc/98/43/34/553984334.db2.gz	NGMRWNUPBHUVGP-IJIVKGSJSA-N	0	0	460.398	5.301	40	5		JKBBRN
CCOc1ccccc1/C=C/c1cc(/C=C/c2ccccc2OCC)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000001714435	553984597	/nfs/dbraw/zinc/98/45/97/553984597.db2.gz	LCGDFKVPGMGRPZ-WXUKJITCSA-N	0	0	460.486	6.641	40	5		JKBBRN
O=C(Oc1ccc(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000001840237	553994393	/nfs/dbraw/zinc/99/43/93/553994393.db2.gz	NOKKSIJJTWXSHN-UHFFFAOYSA-N	0	0	484.420	5.608	40	5		JKBBRN
O=C(Oc1ccccc1)c1ccccc1OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000001851534	553996382	/nfs/dbraw/zinc/99/63/82/553996382.db2.gz	BUDFHQLUGBRNEA-UHFFFAOYSA-N	0	0	475.884	6.839	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1	ZINC000001858113	553997015	/nfs/dbraw/zinc/99/70/15/553997015.db2.gz	OORWHCQKZLQESU-OAHLLOKOSA-N	0	0	479.920	6.587	40	5		JKBBRN
CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)COc1ccc(C(C)C)c(C)c1	ZINC000001916466	554004126	/nfs/dbraw/zinc/00/41/26/554004126.db2.gz	PUUKVEXZYIWPFU-UHFFFAOYSA-N	0	0	482.558	5.949	40	5		JKBBRN
O=[N+]([O-])c1cc(Oc2ccc(Br)cc2)cc(Oc2ccc(Br)cc2)c1	ZINC000003079288	554425497	/nfs/dbraw/zinc/42/54/97/554425497.db2.gz	VVWNCRVLYOSIHS-UHFFFAOYSA-N	0	0	465.097	6.704	40	5		JKBBRN
Cc1cccc(Oc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc([N+](=O)[O-])c2)c1	ZINC000003143188	554426994	/nfs/dbraw/zinc/42/69/94/554426994.db2.gz	DQGUFLXWVZVQML-UHFFFAOYSA-N	0	0	490.519	6.801	40	5		JKBBRN
Cc1csc(Sc2ccc(C(=O)OCC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2[N+](=O)[O-])n1	ZINC000003351901	554456965	/nfs/dbraw/zinc/45/69/65/554456965.db2.gz	BWSQTQSDIWBBJL-WAIKUNEKSA-N	0	0	489.619	5.095	40	5		JKBBRN
O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccc3c(c2)[C@H](O)c2ccccc2-3)cc1	ZINC000004430069	554477772	/nfs/dbraw/zinc/47/77/72/554477772.db2.gz	HSIQHLQAKLYRAP-HHHXNRCGSA-N	0	0	467.481	5.772	40	5		JKBBRN
O=[N+]([O-])c1cc(Cl)ccc1NC(Nc1ccc(Cl)cc1[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000005119358	554486855	/nfs/dbraw/zinc/48/68/55/554486855.db2.gz	JRWNTZAWAATZKL-UHFFFAOYSA-N	0	0	474.515	6.030	40	5		JKBBRN
CCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000005431324	554490953	/nfs/dbraw/zinc/49/09/53/554490953.db2.gz	ZQNXIOFTAVFDAC-UHFFFAOYSA-N	0	0	463.486	5.992	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000005949812	554498575	/nfs/dbraw/zinc/49/85/75/554498575.db2.gz	CWVAHIVNNNCRQM-GOSISDBHSA-N	0	0	484.556	6.769	40	5		JKBBRN
COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccccc4[N+](=O)[O-])sc3n2)cc1	ZINC000006157075	554513350	/nfs/dbraw/zinc/51/33/50/554513350.db2.gz	JRCWJEJGCLNQPA-UHFFFAOYSA-N	0	0	496.548	6.382	40	5		JKBBRN
COc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1	ZINC000006194319	554518052	/nfs/dbraw/zinc/51/80/52/554518052.db2.gz	QRGJWCBCWCVQJA-QGZVFWFLSA-N	0	0	489.557	5.279	40	5		JKBBRN
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1	ZINC000006195963	554518626	/nfs/dbraw/zinc/51/86/26/554518626.db2.gz	TZVSCTNFOPELPS-UHFFFAOYSA-N	0	0	459.531	5.190	40	5		JKBBRN
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1	ZINC000006246625	554523162	/nfs/dbraw/zinc/52/31/62/554523162.db2.gz	MPONSKWNNSGYCC-QGZVFWFLSA-N	0	0	459.531	5.270	40	5		JKBBRN
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1-c1ccc(C)cc1	ZINC000006280111	554524271	/nfs/dbraw/zinc/52/42/71/554524271.db2.gz	ZWSZMPXCRJZCJZ-UHFFFAOYSA-N	0	0	489.557	5.199	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1	ZINC000006280085	554524293	/nfs/dbraw/zinc/52/42/93/554524293.db2.gz	PSMAENPKGZSKCW-UHFFFAOYSA-N	0	0	479.949	5.535	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000006406965	554533873	/nfs/dbraw/zinc/53/38/73/554533873.db2.gz	HIQAFIQIZLUSLI-UHFFFAOYSA-N	0	0	472.526	5.186	40	5		JKBBRN
Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1	ZINC000006442713	554537042	/nfs/dbraw/zinc/53/70/42/554537042.db2.gz	COZLNLFHPQQGIS-SFHVURJKSA-N	0	0	489.557	5.182	40	5		JKBBRN
O=C1c2cc(-c3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)ccc2-c2ccc([N+](=O)[O-])cc21	ZINC000006446754	554540912	/nfs/dbraw/zinc/54/09/12/554540912.db2.gz	GVWZVFZRFYQDTA-UHFFFAOYSA-N	0	0	488.459	6.439	40	5		JKBBRN
CCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]1C	ZINC000006471886	554543363	/nfs/dbraw/zinc/54/33/63/554543363.db2.gz	XPDXDRYYPOAONP-DWACAAAGSA-N	0	0	499.611	7.079	40	5		JKBBRN
O=C(CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000006474806	554544533	/nfs/dbraw/zinc/54/45/33/554544533.db2.gz	DYGNVFVYIJQVPN-UHFFFAOYSA-N	0	0	494.964	5.172	40	5		JKBBRN
CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1	ZINC000006844250	554558964	/nfs/dbraw/zinc/55/89/64/554558964.db2.gz	IWJRLEJFCKKVSQ-UHFFFAOYSA-N	0	0	462.506	5.637	40	5		JKBBRN
CCc1cccc2c(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])nc(-c3ccc(F)cc3)nc12	ZINC000006860529	554559142	/nfs/dbraw/zinc/55/91/42/554559142.db2.gz	CAWCDLUNIABHER-UHFFFAOYSA-N	0	0	492.532	5.646	40	5		JKBBRN
COc1ccc(-c2ccc(Cn3c(Cc4ccccc4)nc4ccc([N+](=O)[O-])cc4c3=O)cc2)cc1	ZINC000007060296	554563619	/nfs/dbraw/zinc/56/36/19/554563619.db2.gz	KLLBPCGBDOJGEW-UHFFFAOYSA-N	0	0	477.520	5.619	40	5		JKBBRN
O=C(NCCc1ccccn1)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1	ZINC000008763935	554664431	/nfs/dbraw/zinc/66/44/31/554664431.db2.gz	HOHUZODLXYXSRL-UHFFFAOYSA-N	0	0	489.915	6.200	40	5		JKBBRN
C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000008831768	554723634	/nfs/dbraw/zinc/72/36/34/554723634.db2.gz	PULAYKORQWSPOY-INIZCTEOSA-N	0	0	464.547	5.360	40	5		JKBBRN
C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000008831771	554723780	/nfs/dbraw/zinc/72/37/80/554723780.db2.gz	XCSWZVWFQWRTAU-MRXNPFEDSA-N	0	0	464.547	5.360	40	5		JKBBRN
CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000008831969	554724630	/nfs/dbraw/zinc/72/46/30/554724630.db2.gz	SFGYJXGJCUVEAE-UHFFFAOYSA-N	0	0	470.529	6.379	40	5		JKBBRN
CCc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000008832078	554725067	/nfs/dbraw/zinc/72/50/67/554725067.db2.gz	CUVDCULCWCRMHZ-UHFFFAOYSA-N	0	0	456.502	5.818	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1	ZINC000008832098	554725235	/nfs/dbraw/zinc/72/52/35/554725235.db2.gz	HUGXEGZWAPMTKE-UHFFFAOYSA-N	0	0	456.502	5.872	40	5		JKBBRN
CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000008832166	554725448	/nfs/dbraw/zinc/72/54/48/554725448.db2.gz	QYAZERKIDWWJCC-UHFFFAOYSA-N	0	0	467.485	5.712	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)c(C)c1	ZINC000008832216	554725754	/nfs/dbraw/zinc/72/57/54/554725754.db2.gz	CFKRQBXFSBTKHK-UHFFFAOYSA-N	0	0	472.549	5.352	40	5		JKBBRN
COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008832275	554726160	/nfs/dbraw/zinc/72/61/60/554726160.db2.gz	KKUXZJVKRFPSMK-UHFFFAOYSA-N	0	0	464.497	5.034	40	5		JKBBRN
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1	ZINC000008832440	554726754	/nfs/dbraw/zinc/72/67/54/554726754.db2.gz	VUZIFDJMVTZAQT-ZDUSSCGKSA-N	0	0	467.547	5.419	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1[N+](=O)[O-]	ZINC000008832796	554728413	/nfs/dbraw/zinc/72/84/13/554728413.db2.gz	GRTATPWHAGCWIE-UHFFFAOYSA-N	0	0	488.569	5.639	40	5		JKBBRN
Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cccc1[N+](=O)[O-]	ZINC000008832798	554728420	/nfs/dbraw/zinc/72/84/20/554728420.db2.gz	LIXACAMONMWYDG-UHFFFAOYSA-N	0	0	474.498	5.029	40	5		JKBBRN
O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000008832873	554728582	/nfs/dbraw/zinc/72/85/82/554728582.db2.gz	ZUHPRWDYSYQEID-UHFFFAOYSA-N	0	0	482.262	5.022	40	5		JKBBRN
O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000008833010	554729393	/nfs/dbraw/zinc/72/93/93/554729393.db2.gz	NIRSXGLCFLIZBZ-UHFFFAOYSA-N	0	0	487.796	5.672	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000008833093	554729597	/nfs/dbraw/zinc/72/95/97/554729597.db2.gz	WWUOZCXZYOSLPN-WEVVVXLNSA-N	0	0	492.340	5.697	40	5		JKBBRN
O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008833176	554730016	/nfs/dbraw/zinc/73/00/16/554730016.db2.gz	XETLHARWRAZFIQ-UHFFFAOYSA-N	0	0	487.994	5.099	40	5		JKBBRN
COc1c(C(=O)NC(=S)Nc2c(C)c(C)ccc2[N+](=O)[O-])cc2ccccc2c1Br	ZINC000008833224	554730399	/nfs/dbraw/zinc/73/03/99/554730399.db2.gz	BMQJKYMVBJMAPQ-UHFFFAOYSA-N	0	0	488.363	5.263	40	5		JKBBRN
COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000008833231	554730413	/nfs/dbraw/zinc/73/04/13/554730413.db2.gz	QOWUNSHTQASMQG-UHFFFAOYSA-N	0	0	494.754	5.299	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000008833302	554730527	/nfs/dbraw/zinc/73/05/27/554730527.db2.gz	MAULISZOHVJFTA-QPJJXVBHSA-N	0	0	492.340	5.697	40	5		JKBBRN
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OCc2ccccc2)cc1	ZINC000008835229	554733806	/nfs/dbraw/zinc/73/38/06/554733806.db2.gz	CCHFFYOGSFKWCQ-UHFFFAOYSA-N	0	0	486.347	5.063	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000008835252	554733985	/nfs/dbraw/zinc/73/39/85/554733985.db2.gz	ZSZUZKNCIGCXDM-UHFFFAOYSA-N	0	0	478.555	5.315	40	5		JKBBRN
Cc1ccc(-c2nc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)no2)cc1[N+](=O)[O-]	ZINC000008873128	554770019	/nfs/dbraw/zinc/77/00/19/554770019.db2.gz	QGGYWLUMDHPCBF-UHFFFAOYSA-N	0	0	456.502	6.170	40	5		JKBBRN
O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NNc1ccc([N+](=O)[O-])cc1	ZINC000008892890	554781289	/nfs/dbraw/zinc/78/12/89/554781289.db2.gz	KHYAIPHXHMJFDV-SOFGYWHQSA-N	0	0	477.329	5.193	40	5		JKBBRN
Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008900363	554792523	/nfs/dbraw/zinc/79/25/23/554792523.db2.gz	SITHURRFMJFKJC-VZUCSPMQSA-N	0	0	475.936	6.066	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)c(C)c1	ZINC000008900392	554792575	/nfs/dbraw/zinc/79/25/75/554792575.db2.gz	NKOJBHPNHODUFE-UHFFFAOYSA-N	0	0	492.967	5.697	40	5		JKBBRN
COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl	ZINC000008900899	554793727	/nfs/dbraw/zinc/79/37/27/554793727.db2.gz	ASCMMCVDKKVNIJ-YRNVUSSQSA-N	0	0	486.311	5.814	40	5		JKBBRN
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000008901498	554794831	/nfs/dbraw/zinc/79/48/31/554794831.db2.gz	LNJQSNMTOFNJHQ-UHFFFAOYSA-N	0	0	496.523	5.070	40	5		JKBBRN
CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000008902984	554796982	/nfs/dbraw/zinc/79/69/82/554796982.db2.gz	QMHYXYQCDOHMAO-UHFFFAOYSA-N	0	0	486.528	5.615	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)ccc3o2)cc1OC	ZINC000008903925	554798163	/nfs/dbraw/zinc/79/81/63/554798163.db2.gz	CQWKEZFPCWRZGQ-UHFFFAOYSA-N	0	0	499.479	6.241	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1OC	ZINC000008903916	554798271	/nfs/dbraw/zinc/79/82/71/554798271.db2.gz	LPFQSGDOSBQULU-UHFFFAOYSA-N	0	0	485.452	5.933	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1cccc(C)c1	ZINC000008990015	554851553	/nfs/dbraw/zinc/85/15/53/554851553.db2.gz	CQGZPXNXPOBWRM-MTJSOVHGSA-N	0	0	492.915	5.879	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccc(C)cc1	ZINC000008990022	554851774	/nfs/dbraw/zinc/85/17/74/554851774.db2.gz	BUWRQQSYIUOOGK-XKZIYDEJSA-N	0	0	472.497	5.534	40	5		JKBBRN
CN(C)c1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000009008994	554863050	/nfs/dbraw/zinc/86/30/50/554863050.db2.gz	WGCKGYUFBBLHEK-QYOOZWMWSA-N	0	0	473.960	5.302	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)nc2c3ccccc3ccc12	ZINC000009057526	554876567	/nfs/dbraw/zinc/87/65/67/554876567.db2.gz	BEOVMVDBHMXKLM-UHFFFAOYSA-N	0	0	480.549	6.397	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1NC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000009059267	554877929	/nfs/dbraw/zinc/87/79/29/554877929.db2.gz	CTLGHTIJBVJNGH-UHFFFAOYSA-N	0	0	497.573	5.159	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1	ZINC000009059356	554878052	/nfs/dbraw/zinc/87/80/52/554878052.db2.gz	KLKWDJVESHDJSG-UHFFFAOYSA-N	0	0	465.579	5.322	40	5		JKBBRN
O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)c1cc2ccccc2o1	ZINC000009062449	554879879	/nfs/dbraw/zinc/87/98/79/554879879.db2.gz	WJUZHPOVDFQLTM-UHFFFAOYSA-N	0	0	485.481	5.364	40	5		JKBBRN
Cc1c(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cccc1[N+](=O)[O-]	ZINC000009063985	554881982	/nfs/dbraw/zinc/88/19/82/554881982.db2.gz	DAMSAHVLEUGMND-UHFFFAOYSA-N	0	0	465.922	5.227	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000009064652	554883099	/nfs/dbraw/zinc/88/30/99/554883099.db2.gz	PIRIDRRFKVGULW-UHFFFAOYSA-N	0	0	453.351	5.019	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1[N+](=O)[O-]	ZINC000009064842	554883737	/nfs/dbraw/zinc/88/37/37/554883737.db2.gz	RKNBICTUPPXXQV-SOFGYWHQSA-N	0	0	462.314	5.688	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000009064804	554883786	/nfs/dbraw/zinc/88/37/86/554883786.db2.gz	FVRSMVSVPRJOKP-UHFFFAOYSA-N	0	0	450.303	5.597	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1	ZINC000009064843	554884170	/nfs/dbraw/zinc/88/41/70/554884170.db2.gz	HKUUIGJZWWVKDC-SOFGYWHQSA-N	0	0	462.314	5.688	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1[N+](=O)[O-]	ZINC000009064961	554884660	/nfs/dbraw/zinc/88/46/60/554884660.db2.gz	FNQLWSZOJZURIR-UHFFFAOYSA-N	0	0	462.556	5.615	40	5		JKBBRN
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1	ZINC000009281856	555051288	/nfs/dbraw/zinc/05/12/88/555051288.db2.gz	BRPVDHVWYDPSQO-DTXPUJKBSA-N	0	0	484.555	6.040	40	5		JKBBRN
O=C1[C@H]2ON(c3ccccc3)[C@H](c3c4ccccc4cc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1	ZINC000009281858	555051292	/nfs/dbraw/zinc/05/12/92/555051292.db2.gz	BRPVDHVWYDPSQO-JBOQNHBVSA-N	0	0	484.555	6.040	40	5		JKBBRN
O=C(CN(C(=O)c1sc2ccccc2c1Cl)C1CCCCC1)Nc1cccc([N+](=O)[O-])c1	ZINC000013371950	555392560	/nfs/dbraw/zinc/39/25/60/555392560.db2.gz	YQYGJLOYCQXVNJ-UHFFFAOYSA-N	0	0	471.966	5.877	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2cc(C)cc(C)c2)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013424269	555398414	/nfs/dbraw/zinc/39/84/14/555398414.db2.gz	LTQADDDDIUPRPK-UHFFFAOYSA-N	0	0	481.530	5.181	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3)c2C)n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013500037	555435685	/nfs/dbraw/zinc/43/56/85/555435685.db2.gz	GGYMVIWOQXZATH-UHFFFAOYSA-N	0	0	458.522	5.683	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)NCc3ccccc3)c2C)n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013500038	555435692	/nfs/dbraw/zinc/43/56/92/555435692.db2.gz	NLIZRPGWFLPYFW-UHFFFAOYSA-N	0	0	472.549	5.361	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)Nc3cccc(Cl)c3)c2C)n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013500035	555435741	/nfs/dbraw/zinc/43/57/41/555435741.db2.gz	LNIPPRKEGVNHEC-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)c3ccccc3Cl)c2C)n1Cc1cccc([N+](=O)[O-])c1	ZINC000013500042	555435908	/nfs/dbraw/zinc/43/59/08/555435908.db2.gz	XRIUSXGZFXRRKU-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-]	ZINC000013509737	555481801	/nfs/dbraw/zinc/48/18/01/555481801.db2.gz	SBUZYJGJUJFRBP-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-]	ZINC000013509728	555481819	/nfs/dbraw/zinc/48/18/19/555481819.db2.gz	UJTMQYGDLJWVBM-UHFFFAOYSA-N	0	0	458.522	5.683	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013509778	555481825	/nfs/dbraw/zinc/48/18/25/555481825.db2.gz	RGZDFNXWDLBEBZ-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc32)cc1Cl	ZINC000013511028	555483111	/nfs/dbraw/zinc/48/31/11/555483111.db2.gz	SQKCIYWAQGCVAN-UHFFFAOYSA-N	0	0	471.951	5.354	40	5		JKBBRN
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	ZINC000013563464	555498368	/nfs/dbraw/zinc/49/83/68/555498368.db2.gz	VKUSKNXDPNRQGL-UHFFFAOYSA-N	0	0	492.465	5.920	40	5		JKBBRN
COc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000019894510	555532931	/nfs/dbraw/zinc/53/29/31/555532931.db2.gz	VAXKFRDHVDMREY-UHFFFAOYSA-N	0	0	487.581	6.944	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1cccc(C)c1	ZINC000013616009	555536353	/nfs/dbraw/zinc/53/63/53/555536353.db2.gz	ZPDAARZJBBSGGY-UUYOSTAYSA-N	0	0	492.915	5.879	40	5		JKBBRN
O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1	ZINC000013633050	555543207	/nfs/dbraw/zinc/54/32/07/555543207.db2.gz	YRXCBOUARZVVRM-UHFFFAOYSA-N	0	0	475.332	5.069	40	5		JKBBRN
CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-]	ZINC000013633081	555543256	/nfs/dbraw/zinc/54/32/56/555543256.db2.gz	GAJOIVHEOBLJLQ-UHFFFAOYSA-N	0	0	465.381	5.322	40	5		JKBBRN
CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1	ZINC000019928808	555544819	/nfs/dbraw/zinc/54/48/19/555544819.db2.gz	VBYOJRGGYYJLHN-UHFFFAOYSA-N	0	0	486.768	5.564	40	5		JKBBRN
O=C1[C@@H]2[C@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1	ZINC000013810922	555626509	/nfs/dbraw/zinc/62/65/09/555626509.db2.gz	JRARFLXUKCVKRZ-PVHODMMVSA-N	0	0	491.503	5.313	40	5		JKBBRN
Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000013817491	555629739	/nfs/dbraw/zinc/62/97/39/555629739.db2.gz	QEKIEKMHKQUNFP-WWQFTLRMSA-N	0	0	499.592	5.030	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)oc2c(Br)c1	ZINC000010119756	555631194	/nfs/dbraw/zinc/63/11/94/555631194.db2.gz	FYPAZJYPANXWTO-UHFFFAOYSA-N	0	0	496.317	5.989	40	5		JKBBRN
CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000013842738	555631961	/nfs/dbraw/zinc/63/19/61/555631961.db2.gz	QJLNFHHGMQTZEA-UHFFFAOYSA-N	0	0	489.985	5.293	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1[N+](=O)[O-]	ZINC000010120188	555632411	/nfs/dbraw/zinc/63/24/11/555632411.db2.gz	RRLUOLWRAUMIDE-UHFFFAOYSA-N	0	0	493.472	5.080	40	5		JKBBRN
Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-]	ZINC000020104276	555636532	/nfs/dbraw/zinc/63/65/32/555636532.db2.gz	MBSHKHGISOECPR-UHFFFAOYSA-N	0	0	467.547	5.254	40	5		JKBBRN
COc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1-c1ccc(CO)o1	ZINC000020139634	555662708	/nfs/dbraw/zinc/66/27/08/555662708.db2.gz	PXKHVCUAVCVJGM-UHFFFAOYSA-N	0	0	458.879	5.476	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1	ZINC000020145344	555664326	/nfs/dbraw/zinc/66/43/26/555664326.db2.gz	FXMQCWZQRYNLOU-XYOKQWHBSA-N	0	0	464.861	5.912	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1	ZINC000020151014	555667578	/nfs/dbraw/zinc/66/75/78/555667578.db2.gz	HOORISRRNKUIIF-IZZDOVSWSA-N	0	0	478.888	6.221	40	5		JKBBRN
Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)ccc1-c1ccc(CO)o1	ZINC000020151059	555667931	/nfs/dbraw/zinc/66/79/31/555667931.db2.gz	TXWDPFJVKSMRDA-KPKJPENVSA-N	0	0	458.470	5.876	40	5		JKBBRN
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	ZINC000020151051	555667940	/nfs/dbraw/zinc/66/79/40/555667940.db2.gz	AVXMSKNPJKHAHB-XYOKQWHBSA-N	0	0	458.470	5.876	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1cccc2ccccc21	ZINC000014132048	555700000	/nfs/dbraw/zinc/70/00/00/555700000.db2.gz	OAMGFWGJTNNKEZ-YDZHTSKRSA-N	0	0	490.924	6.898	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc2ccccc21	ZINC000014132369	555700004	/nfs/dbraw/zinc/70/00/04/555700004.db2.gz	GVEXFMBTPDCYRV-YDZHTSKRSA-N	0	0	490.924	6.898	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1	ZINC000014152781	555708465	/nfs/dbraw/zinc/70/84/65/555708465.db2.gz	XUEOZXVZDDPECT-UHFFFAOYSA-N	0	0	498.870	5.463	40	5		JKBBRN
CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)c1cccc(Cl)c1	ZINC000010433934	555708609	/nfs/dbraw/zinc/70/86/09/555708609.db2.gz	APLOYJMEZNUSDX-UHFFFAOYSA-N	0	0	494.356	5.120	40	5		JKBBRN
Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)ccc1[N+](=O)[O-]	ZINC000014272013	555768459	/nfs/dbraw/zinc/76/84/59/555768459.db2.gz	NLWHFXNVIKVATJ-UHFFFAOYSA-N	0	0	458.326	6.739	40	5		JKBBRN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl	ZINC000014272125	555768775	/nfs/dbraw/zinc/76/87/75/555768775.db2.gz	JMPRQMDSUURCOE-UHFFFAOYSA-N	0	0	458.257	5.727	40	5		JKBBRN
Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000014272071	555768779	/nfs/dbraw/zinc/76/87/79/555768779.db2.gz	NDSQUBDLCKYQKF-UHFFFAOYSA-N	0	0	455.495	6.692	40	5		JKBBRN
Cc1cc2nc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)oc2c(C)c1	ZINC000014272247	555769418	/nfs/dbraw/zinc/76/94/18/555769418.db2.gz	VRXCEWPXYHSQQY-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1	ZINC000014272554	555770200	/nfs/dbraw/zinc/77/02/00/555770200.db2.gz	BGBWFSSICNTUKU-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1	ZINC000014272534	555770211	/nfs/dbraw/zinc/77/02/11/555770211.db2.gz	TVVSGJYJMULAAD-UHFFFAOYSA-N	0	0	453.454	6.532	40	5		JKBBRN
CCOc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OCC)c1OCC	ZINC000014272503	555770240	/nfs/dbraw/zinc/77/02/40/555770240.db2.gz	DJDVUDLPLULNRD-UHFFFAOYSA-N	0	0	457.508	5.167	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1cc2ccccc2oc1=O	ZINC000014273188	555772453	/nfs/dbraw/zinc/77/24/53/555772453.db2.gz	GWSIHSPIBMDIQA-UHFFFAOYSA-N	0	0	466.449	6.189	40	5		JKBBRN
COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1	ZINC000014274113	555775984	/nfs/dbraw/zinc/77/59/84/555775984.db2.gz	KSKPKGSMYJPCRW-UHFFFAOYSA-N	0	0	480.527	5.114	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000014274560	555777131	/nfs/dbraw/zinc/77/71/31/555777131.db2.gz	JKKQXHNKVPUKQE-XBXARRHUSA-N	0	0	496.759	6.341	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000014274988	555778948	/nfs/dbraw/zinc/77/89/48/555778948.db2.gz	HEIAHQLDYRJGSZ-ZZXKWVIFSA-N	0	0	496.759	6.341	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000014274974	555778991	/nfs/dbraw/zinc/77/89/91/555778991.db2.gz	GYEKNUIYSVHLAG-ZZXKWVIFSA-N	0	0	496.759	6.341	40	5		JKBBRN
CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3O)nc2c1	ZINC000014275084	555779269	/nfs/dbraw/zinc/77/92/69/555779269.db2.gz	WTGPCJBTMSFNRS-UHFFFAOYSA-N	0	0	476.514	5.106	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000014275379	555780660	/nfs/dbraw/zinc/78/06/60/555780660.db2.gz	DYMODXPROMYAAA-UHFFFAOYSA-N	0	0	482.974	5.960	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000020353418	555781187	/nfs/dbraw/zinc/78/11/87/555781187.db2.gz	YZSWLCCPJZNIMM-ZUFYJRLNSA-N	0	0	475.932	7.222	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000020353420	555781226	/nfs/dbraw/zinc/78/12/26/555781226.db2.gz	YZSWLCCPJZNIMM-RBBXRFMQSA-N	0	0	475.932	7.222	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000014275946	555782366	/nfs/dbraw/zinc/78/23/66/555782366.db2.gz	ITOXWJHCOGAHLL-UHFFFAOYSA-N	0	0	484.748	6.250	40	5		JKBBRN
O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014277922	555787138	/nfs/dbraw/zinc/78/71/38/555787138.db2.gz	VIGKZFGPHUGOSD-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000014278051	555787363	/nfs/dbraw/zinc/78/73/63/555787363.db2.gz	XECMPOMMBLYOHV-UHFFFAOYSA-N	0	0	497.507	7.047	40	5		JKBBRN
Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014278086	555787752	/nfs/dbraw/zinc/78/77/52/555787752.db2.gz	VMVGWMDOCYMZCX-UHFFFAOYSA-N	0	0	484.556	6.687	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014278303	555788207	/nfs/dbraw/zinc/78/82/07/555788207.db2.gz	AARBFMRADRJPST-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl	ZINC000014278343	555788289	/nfs/dbraw/zinc/78/82/89/555788289.db2.gz	ZMDRJKLJINJBFI-UHFFFAOYSA-N	0	0	492.919	5.454	40	5		JKBBRN
CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000014278416	555788513	/nfs/dbraw/zinc/78/85/13/555788513.db2.gz	HWWBTEGLGDAIGA-UHFFFAOYSA-N	0	0	484.560	5.524	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000014278463	555788628	/nfs/dbraw/zinc/78/86/28/555788628.db2.gz	MTRGGIHCEZUAPC-UHFFFAOYSA-N	0	0	498.587	5.832	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1	ZINC000020411286	555788745	/nfs/dbraw/zinc/78/87/45/555788745.db2.gz	PCVLAQOQLFUIGT-UHFFFAOYSA-N	0	0	497.507	7.047	40	5		JKBBRN
CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1	ZINC000020411816	555789249	/nfs/dbraw/zinc/78/92/49/555789249.db2.gz	FFIZMZTYHDREEN-FMIVXFBMSA-N	0	0	477.498	5.682	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1OC	ZINC000020411977	555789533	/nfs/dbraw/zinc/78/95/33/555789533.db2.gz	KCWSDRKCHBXPHY-UHFFFAOYSA-N	0	0	453.838	5.326	40	5		JKBBRN
O=C1C(=Cc2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000020470342	555791795	/nfs/dbraw/zinc/79/17/95/555791795.db2.gz	AKMPZALAOLBPLF-JJYYRRLASA-N	0	0	485.283	5.486	40	5		JKBBRN
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1[N+](=O)[O-]	ZINC000020528935	555793593	/nfs/dbraw/zinc/79/35/93/555793593.db2.gz	ABUYJAUIKBOWBU-UHFFFAOYSA-N	0	0	452.206	5.331	40	5		JKBBRN
O=C(Nc1ccc2ccccc2c1)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1	ZINC000020534111	555805784	/nfs/dbraw/zinc/80/57/84/555805784.db2.gz	XOAOMNJEZGNAJN-UHFFFAOYSA-N	0	0	487.471	5.954	40	5		JKBBRN
COc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC	ZINC000014406248	555808205	/nfs/dbraw/zinc/80/82/05/555808205.db2.gz	JZHYXPVWNPYASX-UHFFFAOYSA-N	0	0	491.525	5.663	40	5		JKBBRN
COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1	ZINC000021579303	555851926	/nfs/dbraw/zinc/85/19/26/555851926.db2.gz	ZQPLKZPSQVYITF-SDNWHVSQSA-N	0	0	481.464	6.324	40	5		JKBBRN
O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000021595434	555853353	/nfs/dbraw/zinc/85/33/53/555853353.db2.gz	RVMWOFVUEIATLR-UHFFFAOYSA-N	0	0	465.943	6.992	40	5		JKBBRN
Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000021595861	555853998	/nfs/dbraw/zinc/85/39/98/555853998.db2.gz	JICNMMGQZCVWOM-UHFFFAOYSA-N	0	0	463.906	5.758	40	5		JKBBRN
CCCCCCSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])ccc1OC)Nc1ccccc1-2	ZINC000015015447	555855864	/nfs/dbraw/zinc/85/58/64/555855864.db2.gz	CHEFFJPVOZGECD-NRFANRHFSA-N	0	0	467.551	5.631	40	5		JKBBRN
CC(C)(C)c1cc(Oc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cc1	ZINC000015304605	555894723	/nfs/dbraw/zinc/89/47/23/555894723.db2.gz	IPFBMALLLBUWMW-UHFFFAOYSA-N	0	0	464.518	7.683	40	5		JKBBRN
O=C(c1ccc(Br)cc1)[C@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12	ZINC000012062439	555899637	/nfs/dbraw/zinc/89/96/37/555899637.db2.gz	NVSRYIFVBUTHEE-NEWJYFPISA-N	0	0	475.342	5.345	40	5		JKBBRN
CC[C@@H](C)N(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1	ZINC000022257620	555905306	/nfs/dbraw/zinc/90/53/06/555905306.db2.gz	HDYWTWAHMQGQQL-CQSZACIVSA-N	0	0	493.347	5.466	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000022535820	555933299	/nfs/dbraw/zinc/93/32/99/555933299.db2.gz	YGCYTXZCFPHGAQ-UHFFFAOYSA-N	0	0	453.907	6.176	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc([N+](=O)[O-])c3C)o2)cc1Cl	ZINC000022537808	555934164	/nfs/dbraw/zinc/93/41/64/555934164.db2.gz	GQUQDLGQZGRNLR-PKNBQFBNSA-N	0	0	455.923	5.651	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1Cl	ZINC000022537786	555934277	/nfs/dbraw/zinc/93/42/77/555934277.db2.gz	PBCFYCKQNDLXLF-CSKARUKUSA-N	0	0	455.923	5.651	40	5		JKBBRN
Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2cc1C	ZINC000022562646	555934582	/nfs/dbraw/zinc/93/45/82/555934582.db2.gz	LWXZZBUNDDVZQG-UHFFFAOYSA-N	0	0	456.502	5.872	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000022567621	555936560	/nfs/dbraw/zinc/93/65/60/555936560.db2.gz	WCWNZSZCLWMULA-ZZXKWVIFSA-N	0	0	460.298	6.423	40	5		JKBBRN
O=C(c1cccc2c(Cl)cccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000022572884	555938134	/nfs/dbraw/zinc/93/81/34/555938134.db2.gz	DTUMUYFXXQVJPD-UHFFFAOYSA-N	0	0	463.843	5.383	40	5		JKBBRN
Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c1	ZINC000022708173	555944787	/nfs/dbraw/zinc/94/47/87/555944787.db2.gz	UKTYSQHYLFMRHQ-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000022709042	555945126	/nfs/dbraw/zinc/94/51/26/555945126.db2.gz	WVFOKGOMIMKQLV-UHFFFAOYSA-N	0	0	473.312	5.925	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000022709053	555945187	/nfs/dbraw/zinc/94/51/87/555945187.db2.gz	CPLRFGRMDQYURN-UHFFFAOYSA-N	0	0	473.312	5.925	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1Cl	ZINC000022712246	555946297	/nfs/dbraw/zinc/94/62/97/555946297.db2.gz	DKASYUGUCOQIFS-RMKNXTFCSA-N	0	0	476.341	5.996	40	5		JKBBRN
COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000022714101	555946818	/nfs/dbraw/zinc/94/68/18/555946818.db2.gz	YDKNSMYNVXFDQM-WEVVVXLNSA-N	0	0	477.904	6.334	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022715397	555947211	/nfs/dbraw/zinc/94/72/11/555947211.db2.gz	FCGBZVCMHRGSNN-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-]	ZINC000022748830	555952130	/nfs/dbraw/zinc/95/21/30/555952130.db2.gz	SXEVMXWNSHKMLG-UHFFFAOYSA-N	0	0	490.585	5.580	40	5		JKBBRN
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000022751527	555952637	/nfs/dbraw/zinc/95/26/37/555952637.db2.gz	WEEHAHVVNPSWEX-UHFFFAOYSA-N	0	0	493.353	5.898	40	5		JKBBRN
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000022751521	555952693	/nfs/dbraw/zinc/95/26/93/555952693.db2.gz	FRHVGDWOYSRXCA-UHFFFAOYSA-N	0	0	493.353	5.898	40	5		JKBBRN
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000022751524	555952755	/nfs/dbraw/zinc/95/27/55/555952755.db2.gz	IYNLGTGGOADIAR-UHFFFAOYSA-N	0	0	493.353	5.898	40	5		JKBBRN
COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000022819742	555955011	/nfs/dbraw/zinc/95/50/11/555955011.db2.gz	YMQKVIWLKCGFIU-UHFFFAOYSA-N	0	0	498.973	5.660	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccc4)nc4ccc(Cl)cc43)o2)cc1	ZINC000012486881	555987993	/nfs/dbraw/zinc/98/79/93/555987993.db2.gz	HAHVULGFIOCQRC-UHFFFAOYSA-N	0	0	475.917	6.201	40	5		JKBBRN
O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccc(-c2ccc(Cl)cc2)cc1	ZINC000012834098	556116440	/nfs/dbraw/zinc/11/64/40/556116440.db2.gz	LNIDATCJFOBVCD-UHFFFAOYSA-N	0	0	481.939	6.264	40	5		JKBBRN
COc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000016227819	556130514	/nfs/dbraw/zinc/13/05/14/556130514.db2.gz	QZFFVRBMHWGQNO-UHFFFAOYSA-N	0	0	472.501	5.654	40	5		JKBBRN
COc1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016227645	556130530	/nfs/dbraw/zinc/13/05/30/556130530.db2.gz	YTWYFZDBYWRXDD-WYMLVPIESA-N	0	0	484.472	5.959	40	5		JKBBRN
Cc1c(C(=O)Nc2cc(Oc3cccnc3)cc([N+](=O)[O-])c2)c(-c2ccccc2)nn1-c1ccccc1	ZINC000016249541	556131093	/nfs/dbraw/zinc/13/10/93/556131093.db2.gz	XSPXMGWKLPUWLH-UHFFFAOYSA-N	0	0	491.507	6.196	40	5		JKBBRN
Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cccc1[N+](=O)[O-]	ZINC000016250149	556131364	/nfs/dbraw/zinc/13/13/64/556131364.db2.gz	RUWOGNFYWGREAP-UHFFFAOYSA-N	0	0	482.521	5.991	40	5		JKBBRN
Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000016284398	556133034	/nfs/dbraw/zinc/13/30/34/556133034.db2.gz	QAANQZNWPWEHKD-UHFFFAOYSA-N	0	0	457.877	5.696	40	5		JKBBRN
Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016284424	556133048	/nfs/dbraw/zinc/13/30/48/556133048.db2.gz	UAKSGELXNBVFJB-UHFFFAOYSA-N	0	0	457.877	5.696	40	5		JKBBRN
Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000016284454	556133343	/nfs/dbraw/zinc/13/33/43/556133343.db2.gz	PRILHVPWMPZUHG-UHFFFAOYSA-N	0	0	457.877	5.696	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C1c2ccccc2Oc2ccccc21	ZINC000024522316	556133350	/nfs/dbraw/zinc/13/33/50/556133350.db2.gz	VFZIUBUZNNDKBL-UHFFFAOYSA-N	0	0	453.450	6.368	40	5		JKBBRN
O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)C1c2ccccc2Oc2ccccc21	ZINC000024522323	556133359	/nfs/dbraw/zinc/13/33/59/556133359.db2.gz	SULUSNOEJKUBQT-UHFFFAOYSA-N	0	0	487.895	7.022	40	5		JKBBRN
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000024522292	556133376	/nfs/dbraw/zinc/13/33/76/556133376.db2.gz	WDFNJVBFMBJSSU-UHFFFAOYSA-N	0	0	496.910	6.903	40	5		JKBBRN
CC(C)OC(=O)c1ccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000024522753	556133676	/nfs/dbraw/zinc/13/36/76/556133676.db2.gz	JPCJOTJLMDAYLB-NTCAYCPXSA-N	0	0	469.497	5.853	40	5		JKBBRN
Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)CC2=O)cc1	ZINC000016292910	556133798	/nfs/dbraw/zinc/13/37/98/556133798.db2.gz	HOYWOQPDBJTLCT-GOSISDBHSA-N	0	0	480.904	5.445	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2)cc1	ZINC000016323158	556135415	/nfs/dbraw/zinc/13/54/15/556135415.db2.gz	FALGSWBYWCQHBU-UHFFFAOYSA-N	0	0	483.524	6.657	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nc5ccc(C)cc5o4)cc3)o2)c([N+](=O)[O-])c1	ZINC000016348640	556136391	/nfs/dbraw/zinc/13/63/91/556136391.db2.gz	FTTYLAAPKUHYDW-UHFFFAOYSA-N	0	0	483.480	5.910	40	5		JKBBRN
O=c1c2cc(Cl)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1c(Cl)cccc1Cl	ZINC000016384086	556136667	/nfs/dbraw/zinc/13/66/67/556136667.db2.gz	DASOUXDTGUOCLD-IZZDOVSWSA-N	0	0	472.715	6.425	40	5		JKBBRN
O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)nc(Nc3ccc(O)cc3)n2)c1	ZINC000016399727	556137458	/nfs/dbraw/zinc/13/74/58/556137458.db2.gz	QWDXCJLYFZYBKZ-FIFLTTCUSA-N	0	0	481.468	6.083	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1	ZINC000016493637	556141493	/nfs/dbraw/zinc/14/14/93/556141493.db2.gz	VJNPYKCYRFWXAE-UHFFFAOYSA-N	0	0	493.475	6.461	40	5		JKBBRN
O=C(NC(=S)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccccc1[N+](=O)[O-]	ZINC000016545090	556142652	/nfs/dbraw/zinc/14/26/52/556142652.db2.gz	OMUYHEYUPYBKCF-UHFFFAOYSA-N	0	0	468.494	5.683	40	5		JKBBRN
C[C@H](NC(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000016576091	556144886	/nfs/dbraw/zinc/14/48/86/556144886.db2.gz	JVBIOQGKSFOPJA-SBNSQYLKSA-N	0	0	465.506	5.630	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)c3)nc2c1	ZINC000016610766	556146681	/nfs/dbraw/zinc/14/66/81/556146681.db2.gz	XDOGACSGHWBHGZ-CQSZACIVSA-N	0	0	494.345	6.931	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1	ZINC000016611163	556147426	/nfs/dbraw/zinc/14/74/26/556147426.db2.gz	FXPOVZKWPPQCCB-HNNXBMFYSA-N	0	0	474.542	6.043	40	5		JKBBRN
CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000016637159	556149033	/nfs/dbraw/zinc/14/90/33/556149033.db2.gz	PEROJGMHKBZTEH-UHFFFAOYSA-N	0	0	486.937	5.374	40	5		JKBBRN
CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000016691999	556153417	/nfs/dbraw/zinc/15/34/17/556153417.db2.gz	RXWSKHHQUJIXGV-UHFFFAOYSA-N	0	0	476.514	5.237	40	5		JKBBRN
O=C(CC(CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000016806102	556162129	/nfs/dbraw/zinc/16/21/29/556162129.db2.gz	PNJOHGZNAMMXLE-UHFFFAOYSA-N	0	0	452.850	5.786	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccc3ccccc23)cc1/C=C/c1cccc2ccccc12	ZINC000016926353	556180703	/nfs/dbraw/zinc/18/07/03/556180703.db2.gz	RGHATJSZJXJOTP-JRDMOELTSA-N	0	0	472.500	8.150	40	5		JKBBRN
COc1ccc(/C=C/c2cc(/C=C\c3ccc(OC)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000016926299	556180742	/nfs/dbraw/zinc/18/07/42/556180742.db2.gz	LXHQHTVWJSTJGP-VTBWALSUSA-N	0	0	492.484	5.878	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1[C@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000017108333	556217233	/nfs/dbraw/zinc/21/72/33/556217233.db2.gz	ZDHLPGACZRGMKP-RUZDIDTESA-N	0	0	485.521	6.637	40	5		JKBBRN
CC(C)(C)[C@@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1	ZINC000017253645	556248266	/nfs/dbraw/zinc/24/82/66/556248266.db2.gz	DZQLBFSYEPOYJZ-PRTDMIOVSA-N	0	0	471.557	5.909	40	5		JKBBRN
Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018037554	556278315	/nfs/dbraw/zinc/27/83/15/556278315.db2.gz	TZGJHJKWADXIOC-ZNZIZOMTSA-N	0	0	479.492	5.108	40	5		JKBBRN
Cc1cc(C)c2cc3c(nc2c1)sc1c3ncnc1SCC(=O)Nc1nc2c(s1)CCCC2	ZINC000013086148	556285920	/nfs/dbraw/zinc/28/59/20/556285920.db2.gz	LMAVMYJIMICQND-UHFFFAOYSA-N	0	0	491.667	6.076	40	5		JKBBRN
Cc1cc(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032112008	556420883	/nfs/dbraw/zinc/42/08/83/556420883.db2.gz	SEQAIGUJZNKTHI-UHFFFAOYSA-N	0	0	479.876	5.573	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1C	ZINC000032116631	556424440	/nfs/dbraw/zinc/42/44/40/556424440.db2.gz	QYLINNXWUIFSEP-UHFFFAOYSA-N	0	0	460.515	5.455	40	5		JKBBRN
CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)sc2c1	ZINC000032118740	556425747	/nfs/dbraw/zinc/42/57/47/556425747.db2.gz	GFXIBAROOVOOHR-UHFFFAOYSA-N	0	0	458.565	5.073	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1	ZINC000032121148	556426016	/nfs/dbraw/zinc/42/60/16/556426016.db2.gz	LSVANRFLUNGHLV-BKUYFWCQSA-N	0	0	482.970	6.636	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124787	556427784	/nfs/dbraw/zinc/42/77/84/556427784.db2.gz	SEKVAKKOOYORII-CIAFOILYSA-N	0	0	482.970	6.949	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1	ZINC000032125450	556429802	/nfs/dbraw/zinc/42/98/02/556429802.db2.gz	XLWQWTPLIRNOBJ-CYBMUJFWSA-N	0	0	484.339	7.476	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1[N+](=O)[O-]	ZINC000032126709	556430955	/nfs/dbraw/zinc/43/09/55/556430955.db2.gz	UQECTQIPMNYYDV-UHFFFAOYSA-N	0	0	453.454	6.207	40	5		JKBBRN
O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000032127537	556432194	/nfs/dbraw/zinc/43/21/94/556432194.db2.gz	LJBSWIULUXCJLE-UHFFFAOYSA-N	0	0	475.460	7.069	40	5		JKBBRN
COc1ccc([C@H]2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2N=c2[nH]c3ccccc3s2)cc1	ZINC000032597632	556449449	/nfs/dbraw/zinc/44/94/49/556449449.db2.gz	LSLKQMRSFGRNGQ-LJJBLSSYSA-N	0	0	490.566	5.855	40	5		JKBBRN
O=C(CN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1Cl	ZINC000008686612	562952852	/nfs/dbraw/zinc/95/28/52/562952852.db2.gz	XANGFEQTZHHXCL-UHFFFAOYSA-N	0	0	492.746	5.836	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cccc(F)c5)nc4c3)cc2[N+](=O)[O-])CC1	ZINC000057313123	569596484	/nfs/dbraw/zinc/59/64/84/569596484.db2.gz	IFCMHUMTOADAOE-UHFFFAOYSA-N	0	0	474.492	6.031	40	5		JKBBRN
CCOc1ccc(-n2nc3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1	ZINC000057313190	569596603	/nfs/dbraw/zinc/59/66/03/569596603.db2.gz	NNACKEVLNAQFBJ-UHFFFAOYSA-N	0	0	493.932	5.848	40	5		JKBBRN
CCCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC	ZINC000057313382	569596624	/nfs/dbraw/zinc/59/66/24/569596624.db2.gz	NNEOSDFUPIZWCH-UHFFFAOYSA-N	0	0	468.554	5.221	40	5		JKBBRN
O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057313474	569596669	/nfs/dbraw/zinc/59/66/69/569596669.db2.gz	GNQZYUPDDQYQBJ-UHFFFAOYSA-N	0	0	484.324	6.103	40	5		JKBBRN
COc1ccc(-n2nc3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1	ZINC000057313630	569596734	/nfs/dbraw/zinc/59/67/34/569596734.db2.gz	FAEWADCLERLTCF-UHFFFAOYSA-N	0	0	479.905	5.458	40	5		JKBBRN
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)CC1	ZINC000057313796	569596778	/nfs/dbraw/zinc/59/67/78/569596778.db2.gz	NOYVTYBOIYDITR-UHFFFAOYSA-N	0	0	486.981	5.020	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000057315818	569597203	/nfs/dbraw/zinc/59/72/03/569597203.db2.gz	BNRNHIASVGEMPD-ZRDIBKRKSA-N	0	0	451.891	6.284	40	5		JKBBRN
CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C(=O)OCC)c1C	ZINC000057315972	569597384	/nfs/dbraw/zinc/59/73/84/569597384.db2.gz	LBKLAQHUJCHZPA-ACCUITESSA-N	0	0	498.513	5.230	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(-c2ccc(Br)cc2)o1	ZINC000057317066	569598356	/nfs/dbraw/zinc/59/83/56/569598356.db2.gz	ZLMAIROEXLFQAO-WTDSWWLTSA-N	0	0	461.699	5.600	40	5		JKBBRN
O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057333733	569599105	/nfs/dbraw/zinc/59/91/05/569599105.db2.gz	HLVZTXUICJCBRH-UHFFFAOYSA-N	0	0	464.890	5.596	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000059294148	569602462	/nfs/dbraw/zinc/60/24/62/569602462.db2.gz	MOERZROHZRESTN-UHFFFAOYSA-N	0	0	467.865	6.663	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1	ZINC000059294157	569602482	/nfs/dbraw/zinc/60/24/82/569602482.db2.gz	JGSHLRALYYNPJW-SDNWHVSQSA-N	0	0	485.883	6.968	40	5		JKBBRN
O=C(Nc1ccc(I)cc1F)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000059294438	569602505	/nfs/dbraw/zinc/60/25/05/569602505.db2.gz	UXQWRQICVDHYKU-UHFFFAOYSA-N	0	0	476.654	5.459	40	5		JKBBRN
Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000059294621	569602630	/nfs/dbraw/zinc/60/26/30/569602630.db2.gz	COZQGSXPABADCA-FYWRMAATSA-N	0	0	464.481	6.358	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C(C)(C)C)C4)cc2[N+](=O)[O-])CC1	ZINC000059294462	569602631	/nfs/dbraw/zinc/60/26/31/569602631.db2.gz	LEUFSCIUFUYEKZ-KRWDZBQOSA-N	0	0	498.649	5.395	40	5		JKBBRN
CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1Cl	ZINC000059294488	569602656	/nfs/dbraw/zinc/60/26/56/569602656.db2.gz	AJAXGDRWDPUETK-UHFFFAOYSA-N	0	0	466.346	5.897	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1cccc(Cl)c1	ZINC000059418214	569603078	/nfs/dbraw/zinc/60/30/78/569603078.db2.gz	MSKAOOMHNAZUDZ-VCHYOVAHSA-N	0	0	461.282	6.403	40	5		JKBBRN
COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000059428136	569603635	/nfs/dbraw/zinc/60/36/35/569603635.db2.gz	IFZNOIVAXSXZAF-UHFFFAOYSA-N	0	0	458.586	5.947	40	5		JKBBRN
Cc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000059463603	569604320	/nfs/dbraw/zinc/60/43/20/569604320.db2.gz	HQHHIKLWIFMASS-UHFFFAOYSA-N	0	0	494.370	6.709	40	5		JKBBRN
Cc1ccc(OCc2nnc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)n2-c2ccccc2)cc1C	ZINC000059474751	569604533	/nfs/dbraw/zinc/60/45/33/569604533.db2.gz	PXWXDJXHANHUDN-UHFFFAOYSA-N	0	0	485.569	6.145	40	5		JKBBRN
O=[N+]([O-])c1ccc(N2CCC(CCCC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1	ZINC000059474634	569604562	/nfs/dbraw/zinc/60/45/62/569604562.db2.gz	OYJOQXTWLLBJOL-UHFFFAOYSA-N	0	0	452.555	5.806	40	5		JKBBRN
O=C(CCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000059475104	569604644	/nfs/dbraw/zinc/60/46/44/569604644.db2.gz	BXUYTYGFYPMUFN-UHFFFAOYSA-N	0	0	470.526	5.981	40	5		JKBBRN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1	ZINC000059476557	569604831	/nfs/dbraw/zinc/60/48/31/569604831.db2.gz	GSNIFNYWTSAYCE-UHFFFAOYSA-N	0	0	450.834	5.039	40	5		JKBBRN
CC1=NN(c2ccccc2)[C@@]2(SC=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21	ZINC000059482984	569604840	/nfs/dbraw/zinc/60/48/40/569604840.db2.gz	IWKFZBLSNGJXQH-QFIPXVFZSA-N	0	0	460.475	5.054	40	5		JKBBRN
CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@@H](Nc1ccccn1)n1nnc2ccccc21	ZINC000059488684	569605534	/nfs/dbraw/zinc/60/55/34/569605534.db2.gz	ZVPJMVXWLFLHHV-SANMLTNESA-N	0	0	473.581	5.512	40	5		JKBBRN
O=C(CSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1	ZINC000059497612	569606130	/nfs/dbraw/zinc/60/61/30/569606130.db2.gz	IZKDYAQGDSVQIG-UHFFFAOYSA-N	0	0	451.382	5.406	40	5		JKBBRN
O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000059559199	569606932	/nfs/dbraw/zinc/60/69/32/569606932.db2.gz	UTNALBKSIZADGJ-UHFFFAOYSA-N	0	0	485.371	5.476	40	5		JKBBRN
COc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1	ZINC000033392835	569625624	/nfs/dbraw/zinc/62/56/24/569625624.db2.gz	HAAKENQTTZQNRC-UHFFFAOYSA-N	0	0	457.280	5.197	40	5		JKBBRN
COc1c(Br)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1	ZINC000033422673	569626115	/nfs/dbraw/zinc/62/61/15/569626115.db2.gz	MOUSASJAMYYXPS-UHFFFAOYSA-N	0	0	457.280	5.197	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000033618779	569628954	/nfs/dbraw/zinc/62/89/54/569628954.db2.gz	BNMHBHITZZJNRC-UHFFFAOYSA-N	0	0	470.304	5.993	40	5		JKBBRN
O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000033629531	569629196	/nfs/dbraw/zinc/62/91/96/569629196.db2.gz	SUUKEAKMUNAYMD-UHFFFAOYSA-N	0	0	487.855	5.561	40	5		JKBBRN
O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000033664320	569630239	/nfs/dbraw/zinc/63/02/39/569630239.db2.gz	XBXQTWRFSJGMEX-UHFFFAOYSA-N	0	0	455.253	5.927	40	5		JKBBRN
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000035147432	569675976	/nfs/dbraw/zinc/67/59/76/569675976.db2.gz	BXCNNDUMKQHOIO-RUZDIDTESA-N	0	0	482.496	5.220	40	5		JKBBRN
CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1	ZINC000035167593	569677226	/nfs/dbraw/zinc/67/72/26/569677226.db2.gz	FIFCNKLGGVAXQE-BQYQJAHWSA-N	0	0	457.118	5.437	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000035272017	569679341	/nfs/dbraw/zinc/67/93/41/569679341.db2.gz	SJGAMNFNGRJZQJ-UHFFFAOYSA-N	0	0	489.340	5.281	40	5		JKBBRN
COc1cc2c3c(C)nn(Cc4ccccc4)c3nc(-c3cccc([N+](=O)[O-])c3)c2cc1OC	ZINC000070503667	569695332	/nfs/dbraw/zinc/69/53/32/569695332.db2.gz	GGPSNVWSZXLBQV-UHFFFAOYSA-N	0	0	454.486	5.534	40	5		JKBBRN
COc1cc2c3c(C)nn(Cc4ccccc4)c3nc(-c3ccc([N+](=O)[O-])cc3)c2cc1OC	ZINC000070503666	569695384	/nfs/dbraw/zinc/69/53/84/569695384.db2.gz	XFZZYGSJFWDXDW-UHFFFAOYSA-N	0	0	454.486	5.534	40	5		JKBBRN
C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1[N+](=O)[O-]	ZINC000072229349	569700602	/nfs/dbraw/zinc/70/06/02/569700602.db2.gz	AIZNDLVENKOJSA-LBPRGKRZSA-N	0	0	452.736	5.642	40	5		JKBBRN
O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Br	ZINC000072229225	569700638	/nfs/dbraw/zinc/70/06/38/569700638.db2.gz	FUCUDLROURCKTQ-UHFFFAOYSA-N	0	0	452.736	6.008	40	5		JKBBRN
O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Br)c1	ZINC000072229264	569700645	/nfs/dbraw/zinc/70/06/45/569700645.db2.gz	SDERUYVCQKOLRQ-UHFFFAOYSA-N	0	0	452.736	6.008	40	5		JKBBRN
C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1[N+](=O)[O-]	ZINC000072229236	569700661	/nfs/dbraw/zinc/70/06/61/569700661.db2.gz	QREBQPHRJNVCAG-GFCCVEGCSA-N	0	0	452.736	5.642	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000072230006	569700726	/nfs/dbraw/zinc/70/07/26/569700726.db2.gz	BKGQQHFIAWTQBC-XMMPIXPASA-N	0	0	465.937	5.573	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000072229998	569700741	/nfs/dbraw/zinc/70/07/41/569700741.db2.gz	VYIZDDLGZKKIDW-XMMPIXPASA-N	0	0	465.937	5.573	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000072230005	569700760	/nfs/dbraw/zinc/70/07/60/569700760.db2.gz	BKGQQHFIAWTQBC-DEOSSOPVSA-N	0	0	465.937	5.573	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000072229996	569700776	/nfs/dbraw/zinc/70/07/76/569700776.db2.gz	GZXKXHHTFBQBHN-HSZRJFAPSA-N	0	0	451.910	5.182	40	5		JKBBRN
c1cc2c3c(cccc3c1)-c1c-2cc2ccc3c4c(cc5ccc1c2c53)-c1cccc2cccc-4c12	ZINC000090751166	569721075	/nfs/dbraw/zinc/72/10/75/569721075.db2.gz	RDSBINQKWNJFOM-UHFFFAOYSA-N	0	0	450.540	10.185	40	5		JKBBRN
c1cc2ccc3ccc4c5ccc6c7cccc8ccc9ccc%10c%11ccc%12c(c1)c2c3c4c%12c%11c5c6c%10c9c87	ZINC000095869732	569729265	/nfs/dbraw/zinc/72/92/65/569729265.db2.gz	FGCAICAGHWDMNZ-UHFFFAOYSA-N	0	0	498.584	11.561	40	5		JKBBRN
C[C@@H]1CCC[C@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@@H]2C)c4=O)[C@@H]1C	ZINC000036019146	569749657	/nfs/dbraw/zinc/74/96/57/569749657.db2.gz	AASLOMJBKLCZLF-WKBIJGOZSA-N	0	0	486.612	5.060	40	5		JKBBRN
C[C@@H]1CCC[C@@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@@H]2C)c4=O)[C@@H]1C	ZINC000036019149	569749660	/nfs/dbraw/zinc/74/96/60/569749660.db2.gz	AASLOMJBKLCZLF-CCXHWNHHSA-N	0	0	486.612	5.060	40	5		JKBBRN
O=[N+]([O-])c1ccc2o/c(=N\c3cccc(Br)c3)c(-c3nc4ccccc4[nH]3)cc2c1	ZINC000100480610	569761973	/nfs/dbraw/zinc/76/19/73/569761973.db2.gz	DGAIJVYMNSJAGQ-GYHWCHFESA-N	0	0	461.275	5.879	40	5		JKBBRN
Cc1c(OC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)ccc2c3ccccc3c(=O)oc12	ZINC000100766581	569769336	/nfs/dbraw/zinc/76/93/36/569769336.db2.gz	SZVPOKLXHVAKQG-HDICACEKSA-N	0	0	465.546	5.491	40	5		JKBBRN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000036408650	569775437	/nfs/dbraw/zinc/77/54/37/569775437.db2.gz	HXLDLGPOKADBKW-ZFVVBOAOSA-N	0	0	466.793	5.890	40	5		JKBBRN
CC1(C)c2ccccc2[N+](Cc2ccccc2)=C1/C=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000036610881	569777498	/nfs/dbraw/zinc/77/74/98/569777498.db2.gz	WLDMOGXSEYHHOU-UHFFFAOYSA-O	0	0	478.366	6.353	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000037073937	569781346	/nfs/dbraw/zinc/78/13/46/569781346.db2.gz	CRYDTGWOULSLPD-WFCXHVSVSA-N	0	0	460.961	7.124	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000038752933	569806381	/nfs/dbraw/zinc/80/63/81/569806381.db2.gz	FGSXUOUTGZCOTN-UHFFFAOYSA-N	0	0	462.571	5.995	40	5		JKBBRN
Cc1ccc(NC(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1	ZINC000039389020	569809644	/nfs/dbraw/zinc/80/96/44/569809644.db2.gz	NRMQZUKKOBNRNF-SFHVURJKSA-N	0	0	491.613	6.620	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000106685521	569854583	/nfs/dbraw/zinc/85/45/83/569854583.db2.gz	BYIVUGHLDBHVSC-BKUYFWCQSA-N	0	0	477.498	5.417	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(F)cc1	ZINC000106690400	569854630	/nfs/dbraw/zinc/85/46/30/569854630.db2.gz	SZDZSYVUHGEJMR-ODLFYWEKSA-N	0	0	451.435	5.158	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	ZINC000106689359	569854660	/nfs/dbraw/zinc/85/46/60/569854660.db2.gz	APDALGBHLRTKLX-NDENLUEZSA-N	0	0	481.461	5.166	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	ZINC000106688936	569854670	/nfs/dbraw/zinc/85/46/70/569854670.db2.gz	SJUBYKOJONQONQ-NDENLUEZSA-N	0	0	497.916	5.681	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	ZINC000106696015	569854706	/nfs/dbraw/zinc/85/47/06/569854706.db2.gz	JBDZEBKRSMQDHP-NDENLUEZSA-N	0	0	481.461	5.166	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000106697162	569854740	/nfs/dbraw/zinc/85/47/40/569854740.db2.gz	VFRNCGKQUIMHGS-MTJSOVHGSA-N	0	0	495.488	5.556	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1F	ZINC000106697612	569854749	/nfs/dbraw/zinc/85/47/49/569854749.db2.gz	PFMKTWXKOILQQC-CFRMEGHHSA-N	0	0	487.512	5.973	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl	ZINC000106699836	569854797	/nfs/dbraw/zinc/85/47/97/569854797.db2.gz	COVGGQQGCRKQNY-UUASQNMZSA-N	0	0	488.146	5.901	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000106701834	569854807	/nfs/dbraw/zinc/85/48/07/569854807.db2.gz	HOMVZBYZFXKDEU-OYKKKHCWSA-N	0	0	490.537	5.727	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1	ZINC000106702337	569854837	/nfs/dbraw/zinc/85/48/37/569854837.db2.gz	AZPJAADVYDCRPO-UUYOSTAYSA-N	0	0	491.481	5.840	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000106706539	569854906	/nfs/dbraw/zinc/85/49/06/569854906.db2.gz	NTSIRWSSEWHJFL-XKZIYDEJSA-N	0	0	491.525	5.726	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000106708075	569854940	/nfs/dbraw/zinc/85/49/40/569854940.db2.gz	SGYVRVMUVUAQND-UCQKPKSFSA-N	0	0	460.511	5.719	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000106708005	569854947	/nfs/dbraw/zinc/85/49/47/569854947.db2.gz	QQBXFUDMEZNXRH-XKZIYDEJSA-N	0	0	491.525	5.726	40	5		JKBBRN
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br	ZINC000106731078	569855219	/nfs/dbraw/zinc/85/52/19/569855219.db2.gz	PZBKKCNVQPRGFG-UNOMPAQXSA-N	0	0	484.331	5.385	40	5		JKBBRN
CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC	ZINC000106729228	569855224	/nfs/dbraw/zinc/85/52/24/569855224.db2.gz	PHLQZRZCVZFLJI-STZFKDTASA-N	0	0	456.520	5.409	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000106734763	569855301	/nfs/dbraw/zinc/85/53/01/569855301.db2.gz	UVNNFXNMFRJUJU-OCKHKDLRSA-N	0	0	485.880	5.811	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1	ZINC000106738930	569855338	/nfs/dbraw/zinc/85/53/38/569855338.db2.gz	OLERYPMROPJMER-OYKKKHCWSA-N	0	0	490.537	5.727	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106745845	569855431	/nfs/dbraw/zinc/85/54/31/569855431.db2.gz	ZJXPIMQENWUTSI-CFRMEGHHSA-N	0	0	487.512	5.973	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106743664	569855442	/nfs/dbraw/zinc/85/54/42/569855442.db2.gz	GLURWXNINLRHQY-UUASQNMZSA-N	0	0	454.247	5.046	40	5		JKBBRN
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C	ZINC000107895189	569857781	/nfs/dbraw/zinc/85/77/81/569857781.db2.gz	YABVAQKLXNNVLD-SFHVURJKSA-N	0	0	494.404	5.450	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000107904307	569857847	/nfs/dbraw/zinc/85/78/47/569857847.db2.gz	KWKFPWWVVMOASR-UHFFFAOYSA-N	0	0	469.828	5.654	40	5		JKBBRN
O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Cl)c1	ZINC000108189762	569858989	/nfs/dbraw/zinc/85/89/89/569858989.db2.gz	FIIYKVYPMPXNCR-UHFFFAOYSA-N	0	0	482.005	5.321	40	5		JKBBRN
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1sc2cc(Cl)ccc2c1Cl	ZINC000109029811	569860342	/nfs/dbraw/zinc/86/03/42/569860342.db2.gz	FUKJAQDTVYOMCF-UHFFFAOYSA-N	0	0	460.751	5.897	40	5		JKBBRN
CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000110396857	569860734	/nfs/dbraw/zinc/86/07/34/569860734.db2.gz	MKKKMOIXVLZJDJ-STZFKDTASA-N	0	0	485.993	5.560	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000113834170	569862160	/nfs/dbraw/zinc/86/21/60/569862160.db2.gz	ZDZVLFYSCFECQV-HYARGMPZSA-N	0	0	462.483	5.423	40	5		JKBBRN
COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000113928922	569862301	/nfs/dbraw/zinc/86/23/01/569862301.db2.gz	CTCXMAMCSNNZCY-NDEPHWFRSA-N	0	0	479.536	5.965	40	5		JKBBRN
Brc1c2ccccc2c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12	ZINC000117988520	569862831	/nfs/dbraw/zinc/86/28/31/569862831.db2.gz	BQYDXENQXPPQLP-UHFFFAOYSA-N	0	0	485.424	9.757	40	5		JKBBRN
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]4(Cl)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118927738	569863812	/nfs/dbraw/zinc/86/38/12/569863812.db2.gz	IUOUNLSFGGCHFC-HTTNMUSBSA-N	0	0	466.106	7.293	40	5		JKBBRN
C[C@@]12CCC[C@H]1[C@@H]1C[C@@H]3O[C@@]34C[C@@H](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@]4(C)[C@H]1CC2	ZINC000123424266	569864434	/nfs/dbraw/zinc/86/44/34/569864434.db2.gz	UHBQQROSQQYOOK-WSZXCHJCSA-N	0	0	484.549	5.593	40	5		JKBBRN
Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1	ZINC000169706874	569871594	/nfs/dbraw/zinc/87/15/94/569871594.db2.gz	HNYADDICHTXWIO-OWGSYBQFSA-N	0	0	480.611	5.884	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc2ccccc21	ZINC000209534835	569875932	/nfs/dbraw/zinc/87/59/32/569875932.db2.gz	PVDXIMJHSHUFCZ-OEAKJJBVSA-N	0	0	456.479	6.245	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1	ZINC000210808601	569875966	/nfs/dbraw/zinc/87/59/66/569875966.db2.gz	PSHBIAPSPWUTBW-BUVRLJJBSA-N	0	0	452.535	5.976	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000214040889	569876249	/nfs/dbraw/zinc/87/62/49/569876249.db2.gz	JSELAIRYRVLBOV-BUVRLJJBSA-N	0	0	490.537	5.809	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1Cl	ZINC000214077529	569876281	/nfs/dbraw/zinc/87/62/81/569876281.db2.gz	DYLAWZRXNWYDQP-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Cl	ZINC000214104821	569876330	/nfs/dbraw/zinc/87/63/30/569876330.db2.gz	DTHHWAKTRMPRQK-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1	ZINC000214146684	569876405	/nfs/dbraw/zinc/87/64/05/569876405.db2.gz	DUPKTFXCZVUILX-UDWIEESQSA-N	0	0	453.907	5.335	40	5		JKBBRN
O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1	ZINC000214208859	569876444	/nfs/dbraw/zinc/87/64/44/569876444.db2.gz	DXCIWXKEHKHFGF-SRZZPIQSSA-N	0	0	495.444	5.671	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000214208679	569876472	/nfs/dbraw/zinc/87/64/72/569876472.db2.gz	KRLUJYSWEQUJHZ-YDZHTSKRSA-N	0	0	494.500	5.558	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1	ZINC000214256188	569876508	/nfs/dbraw/zinc/87/65/08/569876508.db2.gz	QSVHROBDCFNQSG-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000214369497	569876583	/nfs/dbraw/zinc/87/65/83/569876583.db2.gz	PYWAWQYIWWAADG-YDZHTSKRSA-N	0	0	494.500	5.558	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000214490299	569876686	/nfs/dbraw/zinc/87/66/86/569876686.db2.gz	OVRSNYCQSBGUNU-ZMOGYAJESA-N	0	0	490.537	5.727	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1	ZINC000214488704	569876725	/nfs/dbraw/zinc/87/67/25/569876725.db2.gz	HZOOWIVRQCMJEO-YBFXNURJSA-N	0	0	483.889	5.183	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000214584999	569876772	/nfs/dbraw/zinc/87/67/72/569876772.db2.gz	UCUNWWBXCNCHSH-ZMOGYAJESA-N	0	0	490.537	5.727	40	5		JKBBRN
O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl	ZINC000214785209	569876979	/nfs/dbraw/zinc/87/69/79/569876979.db2.gz	SXXAZCDPCUPBQR-RGVLZGJSSA-N	0	0	488.352	5.988	40	5		JKBBRN
O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000214878671	569877005	/nfs/dbraw/zinc/87/70/05/569877005.db2.gz	RRZXMKROCFHQSU-YDZHTSKRSA-N	0	0	464.373	7.536	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)o1	ZINC000214893532	569877020	/nfs/dbraw/zinc/87/70/20/569877020.db2.gz	VHTVCAKSKQFMIT-RGVLZGJSSA-N	0	0	481.442	5.008	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1	ZINC000214895987	569877066	/nfs/dbraw/zinc/87/70/66/569877066.db2.gz	KSYLFTQBIDAAGG-BUVRLJJBSA-N	0	0	490.537	5.809	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(C)cc1	ZINC000214904660	569877079	/nfs/dbraw/zinc/87/70/79/569877079.db2.gz	RLZOXYJYIUZZCE-ZVHZXABRSA-N	0	0	490.537	5.727	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214985325	569877106	/nfs/dbraw/zinc/87/71/06/569877106.db2.gz	BEJZQGKZEWINAP-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000215028399	569877107	/nfs/dbraw/zinc/87/71/07/569877107.db2.gz	LGBWZDDRRFLTSA-WOJGMQOQSA-N	0	0	477.336	5.383	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214990005	569877114	/nfs/dbraw/zinc/87/71/14/569877114.db2.gz	QHRFJGKNKAAFDR-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)c1	ZINC000215011142	569877130	/nfs/dbraw/zinc/87/71/30/569877130.db2.gz	STCIEBHNRPJJCH-OEAKJJBVSA-N	0	0	460.511	5.719	40	5		JKBBRN
CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC	ZINC000215005235	569877131	/nfs/dbraw/zinc/87/71/31/569877131.db2.gz	UMRJWOFGDABDSG-LICLKQGHSA-N	0	0	493.335	5.001	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1O[C@H](C)CC	ZINC000215010095	569877139	/nfs/dbraw/zinc/87/71/39/569877139.db2.gz	NJECNARPVLGTHV-NWGMWSOJSA-N	0	0	456.520	5.407	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000215003168	569877146	/nfs/dbraw/zinc/87/71/46/569877146.db2.gz	CJYJMSBZUGTOFC-VXLYETTFSA-N	0	0	485.861	5.653	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000215106121	569877187	/nfs/dbraw/zinc/87/71/87/569877187.db2.gz	FVQJUDJNUJCAKE-SSDVNMTOSA-N	0	0	498.919	6.203	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000215246775	569877280	/nfs/dbraw/zinc/87/72/80/569877280.db2.gz	JHVOJRZIOULTFU-XQNSMLJCSA-N	0	0	476.510	5.289	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O	ZINC000222309695	569883929	/nfs/dbraw/zinc/88/39/29/569883929.db2.gz	CRGLESUARFMDBY-FOCFSEODSA-N	0	0	478.504	5.027	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223399816	569909868	/nfs/dbraw/zinc/90/98/68/569909868.db2.gz	DPPRCVQAURJIBP-BJKOFHAPSA-N	0	0	456.527	5.423	40	5		JKBBRN
CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000223749543	569922025	/nfs/dbraw/zinc/92/20/25/569922025.db2.gz	VGGGQVBGCVYVCL-QFIPXVFZSA-N	0	0	492.041	5.205	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223775569	569922898	/nfs/dbraw/zinc/92/28/98/569922898.db2.gz	CEXZLTMSIDJENG-DNQXCXABSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223782901	569923179	/nfs/dbraw/zinc/92/31/79/569923179.db2.gz	OPUCXQPATCPDGN-DNQXCXABSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223782546	569923195	/nfs/dbraw/zinc/92/31/95/569923195.db2.gz	KYLAKQQKRBOBST-RPWUZVMVSA-N	0	0	472.526	5.436	40	5		JKBBRN
CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223818946	569924273	/nfs/dbraw/zinc/92/42/73/569924273.db2.gz	LGTYZHHCCAZMAZ-FQEVSTJZSA-N	0	0	480.392	5.168	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000223829931	569924566	/nfs/dbraw/zinc/92/45/66/569924566.db2.gz	IFMRVRLSAFBHGG-LOSJGSFVSA-N	0	0	485.569	5.356	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000223829981	569924568	/nfs/dbraw/zinc/92/45/68/569924568.db2.gz	IFMRVRLSAFBHGG-JWQCQUIFSA-N	0	0	485.569	5.356	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223833068	569924675	/nfs/dbraw/zinc/92/46/75/569924675.db2.gz	ZNXIFLSHPMDYAI-RPBOFIJWSA-N	0	0	486.553	5.826	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223841413	569924870	/nfs/dbraw/zinc/92/48/70/569924870.db2.gz	ROGYTNZJJMSZNA-JWQCQUIFSA-N	0	0	486.553	5.826	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223841286	569924871	/nfs/dbraw/zinc/92/48/71/569924871.db2.gz	ROGYTNZJJMSZNA-RPBOFIJWSA-N	0	0	486.553	5.826	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223841496	569924875	/nfs/dbraw/zinc/92/48/75/569924875.db2.gz	DWKUNRHONIEVBR-DQEYMECFSA-N	0	0	486.553	5.826	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223841605	569924890	/nfs/dbraw/zinc/92/48/90/569924890.db2.gz	DWKUNRHONIEVBR-LOSJGSFVSA-N	0	0	486.553	5.826	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223872972	569925841	/nfs/dbraw/zinc/92/58/41/569925841.db2.gz	IMPISVXFLQKTPB-DHIUTWEWSA-N	0	0	458.499	5.133	40	5		JKBBRN
CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223902746	569926702	/nfs/dbraw/zinc/92/67/02/569926702.db2.gz	RQVWEJCNQDTYLG-FQEVSTJZSA-N	0	0	480.392	5.168	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000223908330	569926908	/nfs/dbraw/zinc/92/69/08/569926908.db2.gz	MSNCLIWOUGEEPQ-DQEYMECFSA-N	0	0	484.585	5.024	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000223908580	569926940	/nfs/dbraw/zinc/92/69/40/569926940.db2.gz	PYRZFHBRVSGRRM-DQEYMECFSA-N	0	0	484.585	5.024	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000223908453	569926952	/nfs/dbraw/zinc/92/69/52/569926952.db2.gz	MSNCLIWOUGEEPQ-LOSJGSFVSA-N	0	0	484.585	5.024	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223918403	569927227	/nfs/dbraw/zinc/92/72/27/569927227.db2.gz	JKNXNTMNWYRXGA-DQEYMECFSA-N	0	0	485.569	5.493	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223918240	569927232	/nfs/dbraw/zinc/92/72/32/569927232.db2.gz	IBDVVYJPLGBIKJ-RPBOFIJWSA-N	0	0	485.569	5.493	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223989994	569929635	/nfs/dbraw/zinc/92/96/35/569929635.db2.gz	GHVXCBOFWQEPBW-LOSJGSFVSA-N	0	0	499.552	5.385	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223998113	569929931	/nfs/dbraw/zinc/92/99/31/569929931.db2.gz	DQBUQQFDGTZMDF-LOSJGSFVSA-N	0	0	499.552	5.385	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1	ZINC000224029109	569931172	/nfs/dbraw/zinc/93/11/72/569931172.db2.gz	VJGFKFHTMVGEMB-RPWUZVMVSA-N	0	0	486.509	5.156	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1	ZINC000224185152	569935632	/nfs/dbraw/zinc/93/56/32/569935632.db2.gz	PENFXJBLQVLKAB-BJKOFHAPSA-N	0	0	472.526	5.436	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224200706	569936271	/nfs/dbraw/zinc/93/62/71/569936271.db2.gz	BLUPERNEULZNNU-XMMPIXPASA-N	0	0	483.634	5.003	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224213284	569936715	/nfs/dbraw/zinc/93/67/15/569936715.db2.gz	JJCBYBWLUWAYKA-DNQXCXABSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224212962	569936741	/nfs/dbraw/zinc/93/67/41/569936741.db2.gz	YUXDMLBJGPOVSN-ZEQRLZLVSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224215556	569936804	/nfs/dbraw/zinc/93/68/04/569936804.db2.gz	ZVFUAJNQHHVJDY-BJKOFHAPSA-N	0	0	456.527	5.735	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224243646	569937847	/nfs/dbraw/zinc/93/78/47/569937847.db2.gz	FJDVVUWUYWSYGT-XMMPIXPASA-N	0	0	483.634	5.003	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000224245641	569937961	/nfs/dbraw/zinc/93/79/61/569937961.db2.gz	WSKOYAHHEPGMJD-DNQXCXABSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C	ZINC000224278521	569939042	/nfs/dbraw/zinc/93/90/42/569939042.db2.gz	COODTFVAJXJTDQ-LOSJGSFVSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C	ZINC000224287266	569939395	/nfs/dbraw/zinc/93/93/95/569939395.db2.gz	QGKVLXLVJCSINW-JWQCQUIFSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C	ZINC000224287470	569939410	/nfs/dbraw/zinc/93/94/10/569939410.db2.gz	CMSHGVYFKWFLKV-JWQCQUIFSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224315717	569940251	/nfs/dbraw/zinc/94/02/51/569940251.db2.gz	RIZJRJGEFBRCBE-LOSJGSFVSA-N	0	0	470.554	6.044	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224348162	569941423	/nfs/dbraw/zinc/94/14/23/569941423.db2.gz	SHQOOYOHLJRIJG-RPBOFIJWSA-N	0	0	470.554	5.989	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224348196	569941429	/nfs/dbraw/zinc/94/14/29/569941429.db2.gz	SHQOOYOHLJRIJG-LOSJGSFVSA-N	0	0	470.554	5.989	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224354667	569941668	/nfs/dbraw/zinc/94/16/68/569941668.db2.gz	ANQAHXJPDVQWOH-LOSJGSFVSA-N	0	0	470.554	5.989	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224354770	569941687	/nfs/dbraw/zinc/94/16/87/569941687.db2.gz	ZNRRVLOPLLMZQZ-DQEYMECFSA-N	0	0	470.554	5.989	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224380440	569942601	/nfs/dbraw/zinc/94/26/01/569942601.db2.gz	MMOKTWKZURPYQM-IZZNHLLZSA-N	0	0	484.581	6.550	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224386737	569942807	/nfs/dbraw/zinc/94/28/07/569942807.db2.gz	CPBDHFXDHFVSQH-UIOOFZCWSA-N	0	0	484.581	6.550	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224415214	569943904	/nfs/dbraw/zinc/94/39/04/569943904.db2.gz	JLWJLQNXIDPMMG-BJKOFHAPSA-N	0	0	490.516	5.575	40	5		JKBBRN
CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224440100	569944595	/nfs/dbraw/zinc/94/45/95/569944595.db2.gz	GZGWJCKGVSJHEW-HXUWFJFHSA-N	0	0	498.432	5.078	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1	ZINC000224443064	569944676	/nfs/dbraw/zinc/94/46/76/569944676.db2.gz	JJUVPWRYAYPPTO-XZOQPEGZSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224445372	569944751	/nfs/dbraw/zinc/94/47/51/569944751.db2.gz	KJSMDVGYDWXHIT-PKTZIBPZSA-N	0	0	460.490	5.566	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224448670	569944851	/nfs/dbraw/zinc/94/48/51/569944851.db2.gz	PWZJZUQEHYEZHG-RPWUZVMVSA-N	0	0	490.516	5.575	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224453830	569945003	/nfs/dbraw/zinc/94/50/03/569945003.db2.gz	MYGNEJMCBVJSLM-OAQYLSRUSA-N	0	0	492.403	5.310	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	ZINC000224474659	569945557	/nfs/dbraw/zinc/94/55/57/569945557.db2.gz	LEVQLGXVIFPSAQ-PKTZIBPZSA-N	0	0	475.961	5.611	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1	ZINC000224482703	569945892	/nfs/dbraw/zinc/94/58/92/569945892.db2.gz	NCRIPZPOVUDLAS-GOTSBHOMSA-N	0	0	476.945	6.080	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224545582	569947893	/nfs/dbraw/zinc/94/78/93/569947893.db2.gz	GBVPRKCHWVJARF-BJKOFHAPSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000224589062	569949688	/nfs/dbraw/zinc/94/96/88/569949688.db2.gz	XQYYIDLTBTXCAW-ZEQRLZLVSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224620412	569951122	/nfs/dbraw/zinc/95/11/22/569951122.db2.gz	JCAIRPQIFBVVFP-BJKOFHAPSA-N	0	0	488.525	5.141	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1	ZINC000224623694	569951230	/nfs/dbraw/zinc/95/12/30/569951230.db2.gz	ZSVZKWBFZZDXDG-PKTZIBPZSA-N	0	0	458.499	5.133	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)cc1	ZINC000224623855	569951298	/nfs/dbraw/zinc/95/12/98/569951298.db2.gz	JBAJRQOQGINFID-DHIUTWEWSA-N	0	0	458.499	5.133	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc2ccccc2c1	ZINC000224646337	569952135	/nfs/dbraw/zinc/95/21/35/569952135.db2.gz	ZSFMBPXOOBINHL-UHFFFAOYSA-N	0	0	456.498	6.286	40	5		JKBBRN
CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224668271	569952933	/nfs/dbraw/zinc/95/29/33/569952933.db2.gz	QHWIIDFTJYYZCI-JOCHJYFZSA-N	0	0	492.041	5.061	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccc(Cl)cc1	ZINC000224679429	569953415	/nfs/dbraw/zinc/95/34/15/569953415.db2.gz	IGUVBZALNCZMPQ-UHFFFAOYSA-N	0	0	456.951	6.500	40	5		JKBBRN
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1	ZINC000224760461	569956440	/nfs/dbraw/zinc/95/64/40/569956440.db2.gz	FFSJDUMJACTHHH-BJKOFHAPSA-N	0	0	488.594	6.220	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccs3)cc2)cc1	ZINC000224760557	569956467	/nfs/dbraw/zinc/95/64/67/569956467.db2.gz	VSQBFGHTARQQHE-GOTSBHOMSA-N	0	0	490.635	6.380	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc[nH]3)cc2)cc1	ZINC000224761886	569956527	/nfs/dbraw/zinc/95/65/27/569956527.db2.gz	LHQTXIFVRSNUAU-DHIUTWEWSA-N	0	0	473.583	5.646	40	5		JKBBRN
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224812439	569958655	/nfs/dbraw/zinc/95/86/55/569958655.db2.gz	UHKUZMOXVPOYLS-FQEVSTJZSA-N	0	0	480.392	5.024	40	5		JKBBRN
O=C(Nc1nnc(SCc2ccccc2)s1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000224861066	569960592	/nfs/dbraw/zinc/96/05/92/569960592.db2.gz	CLVVSSUEJSLVDC-RCCKNPSSSA-N	0	0	474.567	5.918	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1	ZINC000224879102	569961482	/nfs/dbraw/zinc/96/14/82/569961482.db2.gz	ILDRYYWQAOJYQP-XZOQPEGZSA-N	0	0	491.960	5.317	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	ZINC000224879249	569961493	/nfs/dbraw/zinc/96/14/93/569961493.db2.gz	RCKBMUYYZRGYHO-PKTZIBPZSA-N	0	0	491.960	5.317	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1	ZINC000224879149	569961530	/nfs/dbraw/zinc/96/15/30/569961530.db2.gz	ILDRYYWQAOJYQP-GOTSBHOMSA-N	0	0	491.960	5.317	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1	ZINC000224881312	569961686	/nfs/dbraw/zinc/96/16/86/569961686.db2.gz	KMORXUVTJRITEM-PKTZIBPZSA-N	0	0	492.944	5.786	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1	ZINC000224881346	569961696	/nfs/dbraw/zinc/96/16/96/569961696.db2.gz	KMORXUVTJRITEM-XZOQPEGZSA-N	0	0	492.944	5.786	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1	ZINC000224887171	569961910	/nfs/dbraw/zinc/96/19/10/569961910.db2.gz	NPBMPCFBKHGKTC-DHIUTWEWSA-N	0	0	492.944	5.786	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F	ZINC000224910518	569963023	/nfs/dbraw/zinc/96/30/23/569963023.db2.gz	TWNGNTRSHVDMRX-ZEQRLZLVSA-N	0	0	474.517	5.874	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1	ZINC000224953845	569964775	/nfs/dbraw/zinc/96/47/75/569964775.db2.gz	BQGFZUFSQDUMDO-UHFFFAOYSA-N	0	0	464.275	5.932	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225005694	569968713	/nfs/dbraw/zinc/96/87/13/569968713.db2.gz	QDFIVJCVGHPFRJ-XMMPIXPASA-N	0	0	483.634	5.084	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1	ZINC000225029759	569970257	/nfs/dbraw/zinc/97/02/57/569970257.db2.gz	HRQBTARWVOJQOQ-GOTSBHOMSA-N	0	0	464.547	5.174	40	5		JKBBRN
Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408604660	569970445	/nfs/dbraw/zinc/97/04/45/569970445.db2.gz	FFODZMHNYBFZEX-UHFFFAOYSA-N	0	0	461.743	6.510	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	ZINC000408605708	569970899	/nfs/dbraw/zinc/97/08/99/569970899.db2.gz	GMVWRYVXKXJDEY-UHFFFAOYSA-N	0	0	476.316	5.540	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1	ZINC000408605759	569970969	/nfs/dbraw/zinc/97/09/69/569970969.db2.gz	GPZMLYDDNIHOOK-UHFFFAOYSA-N	0	0	471.351	6.256	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1	ZINC000408605915	569971021	/nfs/dbraw/zinc/97/10/21/569971021.db2.gz	HIEFPGCXAHDDQR-UHFFFAOYSA-N	0	0	463.331	6.702	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2Cl)cc1	ZINC000408606542	569971228	/nfs/dbraw/zinc/97/12/28/569971228.db2.gz	IMTHZRIWZPBWHT-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408607208	569971333	/nfs/dbraw/zinc/97/13/33/569971333.db2.gz	JWSUDNXCRUSMOE-UHFFFAOYSA-N	0	0	461.833	6.099	40	5		JKBBRN
COc1cc(CNc2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408607340	569971464	/nfs/dbraw/zinc/97/14/64/569971464.db2.gz	LDEGOEDNTXIWBO-UHFFFAOYSA-N	0	0	464.261	6.223	40	5		JKBBRN
CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408608167	569971752	/nfs/dbraw/zinc/97/17/52/569971752.db2.gz	MVGSSDXSWYAZSG-UHFFFAOYSA-N	0	0	478.288	6.613	40	5		JKBBRN
O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br)Nc1ccc(Cl)cc1	ZINC000408609167	569971989	/nfs/dbraw/zinc/97/19/89/569971989.db2.gz	OKUADQKLMNUPFK-UHFFFAOYSA-N	0	0	490.741	5.640	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	ZINC000225053353	569972152	/nfs/dbraw/zinc/97/21/52/569972152.db2.gz	DXPUGKIXGVHQNC-UIOOFZCWSA-N	0	0	498.612	5.255	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1	ZINC000225053150	569972156	/nfs/dbraw/zinc/97/21/56/569972156.db2.gz	OGVSHSGEWHNHLC-IZZNHLLZSA-N	0	0	498.612	5.255	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	ZINC000225053277	569972182	/nfs/dbraw/zinc/97/21/82/569972182.db2.gz	DXPUGKIXGVHQNC-FTJBHMTQSA-N	0	0	498.612	5.255	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1	ZINC000408609772	569972206	/nfs/dbraw/zinc/97/22/06/569972206.db2.gz	ORIJCLZANIVEHF-UHFFFAOYSA-N	0	0	492.167	6.311	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	ZINC000408609747	569972235	/nfs/dbraw/zinc/97/22/35/569972235.db2.gz	OPAISRYKHRZRJC-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1	ZINC000408610674	569972575	/nfs/dbraw/zinc/97/25/75/569972575.db2.gz	RIDYFFYDXBSLCA-UHFFFAOYSA-N	0	0	461.287	5.696	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1	ZINC000225061394	569972700	/nfs/dbraw/zinc/97/27/00/569972700.db2.gz	MCCZUVRWLPIYTE-IZZNHLLZSA-N	0	0	499.596	5.725	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1	ZINC000225061345	569972764	/nfs/dbraw/zinc/97/27/64/569972764.db2.gz	MCCZUVRWLPIYTE-FTJBHMTQSA-N	0	0	499.596	5.725	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc21	ZINC000408611475	569972844	/nfs/dbraw/zinc/97/28/44/569972844.db2.gz	SHKPBBIJKWASGX-UHFFFAOYSA-N	0	0	462.933	6.991	40	5		JKBBRN
CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408611537	569972846	/nfs/dbraw/zinc/97/28/46/569972846.db2.gz	SXUYWRAOJISPFQ-UHFFFAOYSA-N	0	0	484.833	7.209	40	5		JKBBRN
COc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408612354	569973056	/nfs/dbraw/zinc/97/30/56/569973056.db2.gz	VOLFXHHMDVKXKV-UHFFFAOYSA-N	0	0	495.732	6.350	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408613117	569973194	/nfs/dbraw/zinc/97/31/94/569973194.db2.gz	XMKUYJMTNRLDPC-UHFFFAOYSA-N	0	0	454.395	5.214	40	5		JKBBRN
O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(-c2ccccc2)cc1	ZINC000408617121	569976087	/nfs/dbraw/zinc/97/60/87/569976087.db2.gz	BTBSEKFGRXUKLF-UHFFFAOYSA-N	0	0	461.857	6.215	40	5		JKBBRN
COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	ZINC000408621536	569978244	/nfs/dbraw/zinc/97/82/44/569978244.db2.gz	ONXZSSXQUQAOEU-UHFFFAOYSA-N	0	0	464.861	6.561	40	5		JKBBRN
O=C(Nc1ccc(I)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000408621630	569978402	/nfs/dbraw/zinc/97/84/02/569978402.db2.gz	OWYZGAZAVLYTOU-UHFFFAOYSA-N	0	0	468.634	5.365	40	5		JKBBRN
O=C(OCC(=O)c1ccc(Br)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000408623388	569979183	/nfs/dbraw/zinc/97/91/83/569979183.db2.gz	SZGMGZTXBYPKNF-UHFFFAOYSA-N	0	0	464.655	5.310	40	5		JKBBRN
Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1C	ZINC000408640003	569988677	/nfs/dbraw/zinc/98/86/77/569988677.db2.gz	HUSZCNXWQLZREM-IBGZPJMESA-N	0	0	459.502	5.304	40	5		JKBBRN
CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1	ZINC000408642329	569989720	/nfs/dbraw/zinc/98/97/20/569989720.db2.gz	OAVVGNBNJBEJFD-SFHVURJKSA-N	0	0	473.529	5.676	40	5		JKBBRN
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225316014	569990086	/nfs/dbraw/zinc/99/00/86/569990086.db2.gz	RRKPCWMNFJNOCS-MHZLTWQESA-N	0	0	487.600	5.002	40	5		JKBBRN
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408645411	569991404	/nfs/dbraw/zinc/99/14/04/569991404.db2.gz	USKUTWQVKPYHQB-NRFANRHFSA-N	0	0	481.508	5.840	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000225482489	569998926	/nfs/dbraw/zinc/99/89/26/569998926.db2.gz	CICMZHYXPLLOCG-XSFVSMFZSA-N	0	0	462.918	5.946	40	5		JKBBRN
COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl	ZINC000225538780	570003809	/nfs/dbraw/zinc/00/38/09/570003809.db2.gz	SKGOHYOCHKJBOE-UHFFFAOYSA-N	0	0	474.985	6.283	40	5		JKBBRN
Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1[N+](=O)[O-]	ZINC000408669570	570006618	/nfs/dbraw/zinc/00/66/18/570006618.db2.gz	WWMJHBRWMYKLGT-VWQFJMCTSA-N	0	0	496.560	5.316	40	5		JKBBRN
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225595999	570008507	/nfs/dbraw/zinc/00/85/07/570008507.db2.gz	GVUCDAOFMUZIOB-HNNXBMFYSA-N	0	0	498.432	5.077	40	5		JKBBRN
Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)cc1	ZINC000408673598	570008750	/nfs/dbraw/zinc/00/87/50/570008750.db2.gz	UBJILZMNHAZHFF-UHFFFAOYSA-N	0	0	467.481	6.200	40	5		JKBBRN
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225614755	570009772	/nfs/dbraw/zinc/00/97/72/570009772.db2.gz	JEAMLFBYRAENCM-OAHLLOKOSA-N	0	0	498.432	5.077	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1	ZINC000408682174	570012795	/nfs/dbraw/zinc/01/27/95/570012795.db2.gz	JCJQYAQFFYEJTB-QFIPXVFZSA-N	0	0	488.359	5.454	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225670828	570013668	/nfs/dbraw/zinc/01/36/68/570013668.db2.gz	CIGOLKZJJOSZTQ-QRWLVFNGSA-N	0	0	480.392	5.166	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225670772	570013696	/nfs/dbraw/zinc/01/36/96/570013696.db2.gz	CIGOLKZJJOSZTQ-FOIQADDNSA-N	0	0	480.392	5.166	40	5		JKBBRN
CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1O[C@@H](C)CC	ZINC000225677186	570014071	/nfs/dbraw/zinc/01/40/71/570014071.db2.gz	ULBRXNPXSRHXNI-KRWDZBQOSA-N	0	0	454.523	5.399	40	5		JKBBRN
Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)c1	ZINC000408693845	570016417	/nfs/dbraw/zinc/01/64/17/570016417.db2.gz	FWPJOTCFAWRGOK-UHFFFAOYSA-N	0	0	478.306	5.166	40	5		JKBBRN
Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1	ZINC000408694669	570017136	/nfs/dbraw/zinc/01/71/36/570017136.db2.gz	LOXHTOQOVZMTAB-UHFFFAOYSA-N	0	0	468.300	5.710	40	5		JKBBRN
Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1	ZINC000408694973	570017415	/nfs/dbraw/zinc/01/74/15/570017415.db2.gz	NCAZPESVTCINRM-UHFFFAOYSA-N	0	0	451.845	5.196	40	5		JKBBRN
Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1Cl	ZINC000408695402	570017828	/nfs/dbraw/zinc/01/78/28/570017828.db2.gz	QKHRTKMPZLMAIG-UHFFFAOYSA-N	0	0	468.300	5.710	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Br)cc2)n1	ZINC000408696102	570018303	/nfs/dbraw/zinc/01/83/03/570018303.db2.gz	WDRRRGZAQFJVKZ-UHFFFAOYSA-N	0	0	498.724	5.511	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1	ZINC000408696279	570018473	/nfs/dbraw/zinc/01/84/73/570018473.db2.gz	ZETFKGWKLMYJPM-UHFFFAOYSA-N	0	0	488.718	6.055	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1	ZINC000408703110	570023093	/nfs/dbraw/zinc/02/30/93/570023093.db2.gz	DRCJEMOOQSUFLV-DEOSSOPVSA-N	0	0	481.961	5.583	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1	ZINC000408703423	570023239	/nfs/dbraw/zinc/02/32/39/570023239.db2.gz	FVDIMBKMJCHBME-XMMPIXPASA-N	0	0	497.960	5.283	40	5		JKBBRN
CCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCC)c3cc21	ZINC000408720295	570026447	/nfs/dbraw/zinc/02/64/47/570026447.db2.gz	KXQYANOFQMZKLU-UHFFFAOYSA-N	0	0	476.532	6.470	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)ccc1[N+](=O)[O-]	ZINC000408725980	570028147	/nfs/dbraw/zinc/02/81/47/570028147.db2.gz	JRHJEUOBZDQXRK-GRSHGNNSSA-N	0	0	475.309	6.711	40	5		JKBBRN
CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408734558	570029895	/nfs/dbraw/zinc/02/98/95/570029895.db2.gz	HZHFPQNOHMQNCS-UHFFFAOYSA-N	0	0	451.504	5.567	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	ZINC000408735330	570030069	/nfs/dbraw/zinc/03/00/69/570030069.db2.gz	NDPHQCNZSNSEBG-UHFFFAOYSA-N	0	0	461.481	6.516	40	5		JKBBRN
O=[N+]([O-])c1cccc(NC(=S)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1	ZINC000408735689	570030180	/nfs/dbraw/zinc/03/01/80/570030180.db2.gz	VHCSVABIHUUSEW-UHFFFAOYSA-N	0	0	477.549	6.681	40	5		JKBBRN
Cc1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1	ZINC000408736588	570030519	/nfs/dbraw/zinc/03/05/19/570030519.db2.gz	DAEFAPKAJNUXOG-MHZLTWQESA-N	0	0	493.563	5.401	40	5		JKBBRN
CC(C)(C)c1ccc(C2=N/C(=C\c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)O2)cc1	ZINC000408737018	570030674	/nfs/dbraw/zinc/03/06/74/570030674.db2.gz	GSUGFQUHQMYXHH-KQWNVCNZSA-N	0	0	470.481	5.456	40	5		JKBBRN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1	ZINC000408750162	570033864	/nfs/dbraw/zinc/03/38/64/570033864.db2.gz	KYTXDNDVWDMXHQ-UHFFFAOYSA-N	0	0	481.942	5.951	40	5		JKBBRN
Cc1ccc(C(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1	ZINC000408750822	570034089	/nfs/dbraw/zinc/03/40/89/570034089.db2.gz	SBXWSGMUOFSYRO-UHFFFAOYSA-N	0	0	489.534	5.289	40	5		JKBBRN
O=[N+]([O-])c1ccc2nc(SCc3ccc(Br)cc3Br)sc2c1	ZINC000408750798	570034092	/nfs/dbraw/zinc/03/40/92/570034092.db2.gz	RWWHXQFOGIVHLX-UHFFFAOYSA-N	0	0	460.172	6.022	40	5		JKBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3cccc4ccccc43)sc2c1	ZINC000408750956	570034190	/nfs/dbraw/zinc/03/41/90/570034190.db2.gz	UMMBENZVQUQTKA-UHFFFAOYSA-N	0	0	497.557	6.451	40	5		JKBBRN
Cc1cccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1	ZINC000408756971	570035684	/nfs/dbraw/zinc/03/56/84/570035684.db2.gz	KYDXLMSQRNJBHS-UHFFFAOYSA-N	0	0	457.873	6.254	40	5		JKBBRN
CCc1ccccc1N1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408756729	570035689	/nfs/dbraw/zinc/03/56/89/570035689.db2.gz	JDMOYJSJHKEAQQ-UHFFFAOYSA-N	0	0	471.900	6.508	40	5		JKBBRN
Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408756918	570035744	/nfs/dbraw/zinc/03/57/44/570035744.db2.gz	KMPVLMHIUDPVHS-UHFFFAOYSA-N	0	0	457.873	6.254	40	5		JKBBRN
COCCCN1C(=O)c2cccc3c(-c4ccc(Br)c(C)c4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408758136	570036102	/nfs/dbraw/zinc/03/61/02/570036102.db2.gz	VTENQUXVAXAPPQ-UHFFFAOYSA-N	0	0	483.318	5.118	40	5		JKBBRN
CN(C)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000408757878	570036115	/nfs/dbraw/zinc/03/61/15/570036115.db2.gz	RHTOEFYUONUVFF-UHFFFAOYSA-N	0	0	486.915	6.012	40	5		JKBBRN
O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)C1c3ccccc3C2c2ccccc21	ZINC000408764160	570037574	/nfs/dbraw/zinc/03/75/74/570037574.db2.gz	SCACHMPNXOLOAL-XQOSCOKLSA-N	0	0	472.500	5.658	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1	ZINC000408768163	570038339	/nfs/dbraw/zinc/03/83/39/570038339.db2.gz	CKJQQDVCTFAVAC-RISWYLRJSA-N	0	0	491.569	5.344	40	5		JKBBRN
COC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc12	ZINC000226767659	570038443	/nfs/dbraw/zinc/03/84/43/570038443.db2.gz	RTDBMHNZTITFPP-UHFFFAOYSA-N	0	0	469.247	5.047	40	5		JKBBRN
Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000226767707	570038464	/nfs/dbraw/zinc/03/84/64/570038464.db2.gz	UYSUJJVVGBTZMM-UHFFFAOYSA-N	0	0	453.248	5.381	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1	ZINC000408771334	570039061	/nfs/dbraw/zinc/03/90/61/570039061.db2.gz	FNWPQJOGKHFMDN-LWUPDDLQSA-N	0	0	461.543	5.336	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)S2)cc1	ZINC000408772611	570039255	/nfs/dbraw/zinc/03/92/55/570039255.db2.gz	DLHSVONLIHSSLY-LIHBCPLWSA-N	0	0	490.368	6.324	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)S2)cc1	ZINC000408775163	570040060	/nfs/dbraw/zinc/04/00/60/570040060.db2.gz	FIAOVRIZUDNQKP-VZIOXZNFSA-N	0	0	451.504	5.025	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)S2)cc1	ZINC000408778219	570040680	/nfs/dbraw/zinc/04/06/80/570040680.db2.gz	RDYLTVCKQJMHSC-MFUBYVTQSA-N	0	0	492.513	5.457	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])S2)cc1	ZINC000408778827	570040923	/nfs/dbraw/zinc/04/09/23/570040923.db2.gz	MAELRMGVLDQCFH-QARYAGPDSA-N	0	0	491.569	5.344	40	5		JKBBRN
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1Nc1ccccc1	ZINC000408803620	570046562	/nfs/dbraw/zinc/04/65/62/570046562.db2.gz	RHTZJKPEAINNJI-HECKZLQOSA-N	0	0	477.653	8.047	40	5		JKBBRN
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1Nc1ccccc1	ZINC000408803621	570046565	/nfs/dbraw/zinc/04/65/65/570046565.db2.gz	RHTZJKPEAINNJI-STLMOZLASA-N	0	0	477.653	8.047	40	5		JKBBRN
Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1	ZINC000408803592	570046572	/nfs/dbraw/zinc/04/65/72/570046572.db2.gz	QVXIXGDBUVZJOF-UHFFFAOYSA-N	0	0	454.915	5.888	40	5		JKBBRN
O=C1NC(Nc2ccccc2F)S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408805171	570047262	/nfs/dbraw/zinc/04/72/62/570047262.db2.gz	JCZIUGCHLZKERM-UHFFFAOYSA-N	0	0	450.471	5.076	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408809483	570048648	/nfs/dbraw/zinc/04/86/48/570048648.db2.gz	HQJQWDKWXSCYOV-BKUYFWCQSA-N	0	0	496.928	6.077	40	5		JKBBRN
CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O	ZINC000408811263	570049203	/nfs/dbraw/zinc/04/92/03/570049203.db2.gz	ARAVVUWMFOOLNG-NVNXTCNLSA-N	0	0	483.727	5.256	40	5		JKBBRN
CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O	ZINC000408811245	570049211	/nfs/dbraw/zinc/04/92/11/570049211.db2.gz	AHVJLDSWLKKPGL-NVNXTCNLSA-N	0	0	483.727	5.256	40	5		JKBBRN
O=C1[C@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000239284773	570050034	/nfs/dbraw/zinc/05/00/34/570050034.db2.gz	CACWZHSYVDZDDS-HPQIJTKRSA-N	0	0	493.519	6.025	40	5		JKBBRN
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1	ZINC000408819217	570051386	/nfs/dbraw/zinc/05/13/86/570051386.db2.gz	YPVONXRATGWLNI-UHFFFAOYSA-N	0	0	470.914	5.588	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1	ZINC000408822528	570052154	/nfs/dbraw/zinc/05/21/54/570052154.db2.gz	CDJLOVUSNAZEHC-UHFFFAOYSA-N	0	0	480.889	6.199	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3ccccc3Br)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408823791	570052184	/nfs/dbraw/zinc/05/21/84/570052184.db2.gz	FDTPZMWBQILMSF-UHFFFAOYSA-N	0	0	494.370	6.709	40	5		JKBBRN
COc1ccc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408823058	570052204	/nfs/dbraw/zinc/05/22/04/570052204.db2.gz	DIVMCMZXDAHZOP-UHFFFAOYSA-N	0	0	476.470	5.554	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2	ZINC000408834242	570053068	/nfs/dbraw/zinc/05/30/68/570053068.db2.gz	LFUAEDJTYVXRNQ-UHFFFAOYSA-N	0	0	459.571	6.540	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1	ZINC000408836718	570053182	/nfs/dbraw/zinc/05/31/82/570053182.db2.gz	UPJODJWOAVZPBE-UHFFFAOYSA-N	0	0	453.882	6.430	40	5		JKBBRN
O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1c2ccccc2cc2ccccc21	ZINC000408840068	570053478	/nfs/dbraw/zinc/05/34/78/570053478.db2.gz	XJPGDDBLUFWLJE-FYJGNVAPSA-N	0	0	484.920	7.114	40	5		JKBBRN
O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408842758	570053934	/nfs/dbraw/zinc/05/39/34/570053934.db2.gz	KOCAYEZXHOWDFU-LFYBBSHMSA-N	0	0	464.242	5.369	40	5		JKBBRN
O=C(Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccc(Cl)cc1Cl	ZINC000408846817	570054685	/nfs/dbraw/zinc/05/46/85/570054685.db2.gz	RIVSZGRBHDUJLL-YBFXNURJSA-N	0	0	483.263	5.465	40	5		JKBBRN
O=c1/c(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)sc2nc3ccccc3n12	ZINC000408903377	570069869	/nfs/dbraw/zinc/06/98/69/570069869.db2.gz	SBDMTLPGLWUPKB-MYYYXRDXSA-N	0	0	479.517	5.097	40	5		JKBBRN
C[C@@H]1CCC[C@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@H]2C)c4=O)[C@@H]1C	ZINC000248129311	570074837	/nfs/dbraw/zinc/07/48/37/570074837.db2.gz	AASLOMJBKLCZLF-UGCBEVCYSA-N	0	0	486.612	5.060	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408916581	570075510	/nfs/dbraw/zinc/07/55/10/570075510.db2.gz	FKSIPRTZCRVBLG-GRSHGNNSSA-N	0	0	475.309	6.398	40	5		JKBBRN
Cc1cc(CSc2ccccc2)ccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408920420	570076892	/nfs/dbraw/zinc/07/68/92/570076892.db2.gz	HBPGQFOUQCWHMP-ZXVVBBHZSA-N	0	0	480.589	7.375	40	5		JKBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1	ZINC000408921010	570077149	/nfs/dbraw/zinc/07/71/49/570077149.db2.gz	BADYWCNREVZIJT-AWNIVKPZSA-N	0	0	492.340	5.354	40	5		JKBBRN
O=C(NCCSCc1ccc(Cl)c(Cl)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408926165	570078396	/nfs/dbraw/zinc/07/83/96/570078396.db2.gz	PQRXZEZZPJZUGL-KGENOOAVSA-N	0	0	487.408	6.492	40	5		JKBBRN
Cc1cc(CSc2ccccc2)ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408927539	570078906	/nfs/dbraw/zinc/07/89/06/570078906.db2.gz	WUFMLUDPOKRAIO-ZXVVBBHZSA-N	0	0	480.589	7.375	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1C	ZINC000408929311	570079306	/nfs/dbraw/zinc/07/93/06/570079306.db2.gz	WBWYHCAQJFHNEU-MTJSOVHGSA-N	0	0	477.498	5.147	40	5		JKBBRN
O=C1N/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1	ZINC000408932536	570080527	/nfs/dbraw/zinc/08/05/27/570080527.db2.gz	DBMQRHXMQBDMKE-QRVIBDJDSA-N	0	0	486.915	5.344	40	5		JKBBRN
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)c1	ZINC000408940488	570082518	/nfs/dbraw/zinc/08/25/18/570082518.db2.gz	UTTFJOQGRNHKGQ-MTJSOVHGSA-N	0	0	477.498	5.147	40	5		JKBBRN
Fc1ccccc1NC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408973919	570089326	/nfs/dbraw/zinc/08/93/26/570089326.db2.gz	CQIXJCGVQBURKZ-UHFFFAOYSA-N	0	0	450.502	5.827	40	5		JKBBRN
CCOc1ccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1	ZINC000408974960	570089448	/nfs/dbraw/zinc/08/94/48/570089448.db2.gz	GRDWQKKTDKZJBL-UHFFFAOYSA-N	0	0	476.565	6.087	40	5		JKBBRN
COc1ccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1	ZINC000408974977	570089591	/nfs/dbraw/zinc/08/95/91/570089591.db2.gz	HBQQFIKTXXWPOJ-UHFFFAOYSA-N	0	0	462.538	5.697	40	5		JKBBRN
Cc1ccc(N2C(=N)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])c(Cl)c4)o3)C2=O)cc1C	ZINC000408975471	570089659	/nfs/dbraw/zinc/08/96/59/570089659.db2.gz	KSRXDFHPNVVLKW-IBMPOVEYSA-N	0	0	453.907	6.181	40	5		JKBBRN
CN(C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccc2ccccc2c1	ZINC000408975554	570089706	/nfs/dbraw/zinc/08/97/06/570089706.db2.gz	MYZFGRLAAPRHHH-UHFFFAOYSA-N	0	0	496.599	6.866	40	5		JKBBRN
COc1ccc(N(C)C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1	ZINC000408976030	570089811	/nfs/dbraw/zinc/08/98/11/570089811.db2.gz	OPURHAURVIPPTH-UHFFFAOYSA-N	0	0	476.565	5.721	40	5		JKBBRN
CC(=O)c1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408976191	570089928	/nfs/dbraw/zinc/08/99/28/570089928.db2.gz	QGXDZPISRJHQIO-UHFFFAOYSA-N	0	0	458.481	5.726	40	5		JKBBRN
Cc1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C	ZINC000408978128	570090318	/nfs/dbraw/zinc/09/03/18/570090318.db2.gz	YFQYEMSDABHZRV-UHFFFAOYSA-N	0	0	460.566	6.305	40	5		JKBBRN
CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1cccc(Cl)c1Cl	ZINC000408985230	570092118	/nfs/dbraw/zinc/09/21/18/570092118.db2.gz	AJAFZSBRUYCZQS-FQEVSTJZSA-N	0	0	490.368	6.197	40	5		JKBBRN
COc1cc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCCC5)o2)cc([N+](=O)[O-])c1OC	ZINC000408985375	570092155	/nfs/dbraw/zinc/09/21/55/570092155.db2.gz	LQMOCIYQEXPNDP-UHFFFAOYSA-N	0	0	481.530	5.908	40	5		JKBBRN
Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4c5ccccc5C[C@@H]43)cc2)cc1	ZINC000408993057	570094753	/nfs/dbraw/zinc/09/47/53/570094753.db2.gz	BRXBQGUWHJCDAW-SHSRKSKBSA-N	0	0	462.549	6.953	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4c5ccccc5C[C@H]43)cc2)cc1	ZINC000408993252	570094769	/nfs/dbraw/zinc/09/47/69/570094769.db2.gz	CZBMHTFUGVIZSK-FGUUHEIUSA-N	0	0	493.519	6.553	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	ZINC000408995516	570095333	/nfs/dbraw/zinc/09/53/33/570095333.db2.gz	JURVSWICRFENIT-FGUUHEIUSA-N	0	0	482.967	7.298	40	5		JKBBRN
Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1	ZINC000408998851	570095961	/nfs/dbraw/zinc/09/59/61/570095961.db2.gz	OTBMKKGBGHFBJT-QFIPXVFZSA-N	0	0	467.909	5.033	40	5		JKBBRN
C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1	ZINC000408999468	570096051	/nfs/dbraw/zinc/09/60/51/570096051.db2.gz	CYXMOWBWKHEYQE-AIGMYPEUSA-N	0	0	499.611	5.149	40	5		JKBBRN
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2ccccc2)cc1)OCc1ccccc1	ZINC000409000568	570096311	/nfs/dbraw/zinc/09/63/11/570096311.db2.gz	XMFKGLZHYWGMLA-MHZLTWQESA-N	0	0	495.535	5.738	40	5		JKBBRN
CCCCOc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)O2)cc1	ZINC000409003122	570096854	/nfs/dbraw/zinc/09/68/54/570096854.db2.gz	DQFMFDZTDJQOPI-JJIBRWJFSA-N	0	0	486.480	5.337	40	5		JKBBRN
CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O	ZINC000409009328	570099043	/nfs/dbraw/zinc/09/90/43/570099043.db2.gz	DGWPTFXEURSRRP-XBTXGSBDSA-N	0	0	451.298	5.452	40	5		JKBBRN
CC[C@@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	ZINC000409010513	570099352	/nfs/dbraw/zinc/09/93/52/570099352.db2.gz	FFZNCTISNZDWAN-OTGIAGGSSA-N	0	0	476.938	5.671	40	5		JKBBRN
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O	ZINC000409010825	570099410	/nfs/dbraw/zinc/09/94/10/570099410.db2.gz	LSOZIRLVCIMNFX-OTGIAGGSSA-N	0	0	491.363	5.771	40	5		JKBBRN
O=C1NC(=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1c1ccccc1	ZINC000409012232	570099907	/nfs/dbraw/zinc/09/99/07/570099907.db2.gz	JYWAVOZBVVHIHL-LFVJCYFKSA-N	0	0	465.465	5.424	40	5		JKBBRN
CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O	ZINC000409012588	570100042	/nfs/dbraw/zinc/10/00/42/570100042.db2.gz	QSOWIMKHTPAANE-MDBUFAAASA-N	0	0	491.363	5.771	40	5		JKBBRN
CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O	ZINC000409012590	570100061	/nfs/dbraw/zinc/10/00/61/570100061.db2.gz	QSOWIMKHTPAANE-OTGIAGGSSA-N	0	0	491.363	5.771	40	5		JKBBRN
CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409013504	570100294	/nfs/dbraw/zinc/10/02/94/570100294.db2.gz	APOYFZPQXVVWEB-RQZCQDPDSA-N	0	0	467.330	5.925	40	5		JKBBRN
CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O	ZINC000409015654	570101112	/nfs/dbraw/zinc/10/11/12/570101112.db2.gz	SVLICWPPKVAXKS-AINDZBIGSA-N	0	0	473.463	5.139	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409016558	570101310	/nfs/dbraw/zinc/10/13/10/570101310.db2.gz	DOVZSADSLADPLH-NWGMWSOJSA-N	0	0	456.520	5.407	40	5		JKBBRN
O=C(Nc1cccc2ccccc21)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409018147	570101904	/nfs/dbraw/zinc/10/19/04/570101904.db2.gz	SOLQZMXCWBWRBU-UHFFFAOYSA-N	0	0	495.538	7.883	40	5		JKBBRN
Cc1ccccc1NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409018893	570102283	/nfs/dbraw/zinc/10/22/83/570102283.db2.gz	WMABPQYUFWRZFT-UHFFFAOYSA-N	0	0	459.505	7.038	40	5		JKBBRN
Cc1ccc(C)c(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)c1	ZINC000409019419	570102551	/nfs/dbraw/zinc/10/25/51/570102551.db2.gz	SIZSIRDQIIPUEW-UHFFFAOYSA-N	0	0	473.532	7.346	40	5		JKBBRN
CC(C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O	ZINC000409024047	570103805	/nfs/dbraw/zinc/10/38/05/570103805.db2.gz	SHXFPIFBWIUVTR-VCHYOVAHSA-N	0	0	477.336	5.381	40	5		JKBBRN
O=C(Nc1ccc2ccccc2c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409024459	570104036	/nfs/dbraw/zinc/10/40/36/570104036.db2.gz	YOVCXFGEPXTDHZ-UHFFFAOYSA-N	0	0	495.538	7.883	40	5		JKBBRN
COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O	ZINC000409058531	570112890	/nfs/dbraw/zinc/11/28/90/570112890.db2.gz	NRTOGGQKJMFJDH-XKZIYDEJSA-N	0	0	496.928	6.077	40	5		JKBBRN
O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1F	ZINC000409066164	570116504	/nfs/dbraw/zinc/11/65/04/570116504.db2.gz	LZXNVBBKPWNJES-REZTVBANSA-N	0	0	476.247	5.394	40	5		JKBBRN
O=C1C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)NC(=S)N1C1CCCCC1	ZINC000409076862	570120154	/nfs/dbraw/zinc/12/01/54/570120154.db2.gz	CLUPLCXJUHUTQC-MOSHPQCFSA-N	0	0	471.966	5.218	40	5		JKBBRN
O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409079869	570121227	/nfs/dbraw/zinc/12/12/27/570121227.db2.gz	BYUABPAZHUQIEQ-UHFFFAOYSA-N	0	0	463.468	6.868	40	5		JKBBRN
COC(=O)C(=Cc1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC	ZINC000409080176	570121357	/nfs/dbraw/zinc/12/13/57/570121357.db2.gz	MIHWMZDTTNKDOV-UHFFFAOYSA-N	0	0	494.205	5.442	40	5		JKBBRN
COC(=O)C(=Cc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)OC	ZINC000409088117	570123898	/nfs/dbraw/zinc/12/38/98/570123898.db2.gz	DGJICLGJEWNFBS-UHFFFAOYSA-N	0	0	494.205	5.442	40	5		JKBBRN
COc1cccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)c1	ZINC000409089612	570124280	/nfs/dbraw/zinc/12/42/80/570124280.db2.gz	JFFLBGMMBJRFNE-UHFFFAOYSA-N	0	0	475.504	6.738	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1	ZINC000409093677	570125746	/nfs/dbraw/zinc/12/57/46/570125746.db2.gz	AZSRHNPEGVITHH-UHFFFAOYSA-N	0	0	490.894	6.590	40	5		JKBBRN
Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1	ZINC000409093572	570125762	/nfs/dbraw/zinc/12/57/62/570125762.db2.gz	AKMMVMBBBCANRW-UHFFFAOYSA-N	0	0	490.894	6.974	40	5		JKBBRN
O=C1NC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1	ZINC000409093851	570125851	/nfs/dbraw/zinc/12/58/51/570125851.db2.gz	AXZMZBONKRIQMT-VCHYOVAHSA-N	0	0	480.820	5.046	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1	ZINC000409094140	570126038	/nfs/dbraw/zinc/12/60/38/570126038.db2.gz	CFYNZSQMYCBLHP-UHFFFAOYSA-N	0	0	461.400	5.547	40	5		JKBBRN
CCc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000409095555	570126568	/nfs/dbraw/zinc/12/65/68/570126568.db2.gz	HRJVHXDHEIRQNK-UHFFFAOYSA-N	0	0	484.503	6.499	40	5		JKBBRN
Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1C	ZINC000409099075	570127749	/nfs/dbraw/zinc/12/77/49/570127749.db2.gz	RUNKWTLHOLFCCG-UHFFFAOYSA-N	0	0	470.476	6.629	40	5		JKBBRN
CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	ZINC000409101852	570128685	/nfs/dbraw/zinc/12/86/85/570128685.db2.gz	ZEQUHKFLYUEZQA-LICLKQGHSA-N	0	0	493.335	5.001	40	5		JKBBRN
Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1C	ZINC000409102407	570128762	/nfs/dbraw/zinc/12/87/62/570128762.db2.gz	SQEQFVGNCOUJJD-UHFFFAOYSA-N	0	0	450.951	6.405	40	5		JKBBRN
COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409109360	570131455	/nfs/dbraw/zinc/13/14/55/570131455.db2.gz	CCGHJAWJSIASHG-UHFFFAOYSA-N	0	0	490.943	7.240	40	5		JKBBRN
Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000409109554	570131644	/nfs/dbraw/zinc/13/16/44/570131644.db2.gz	HEQOIBPFPNLPAM-UHFFFAOYSA-N	0	0	451.737	7.055	40	5		JKBBRN
O=C1Nc2ccccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	ZINC000409110079	570131824	/nfs/dbraw/zinc/13/18/24/570131824.db2.gz	QXECICALHLHCDB-WQRHYEAKSA-N	0	0	451.276	5.429	40	5		JKBBRN
CCOC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCCC2	ZINC000409110261	570131959	/nfs/dbraw/zinc/13/19/59/570131959.db2.gz	ALIPVTURDFACOZ-LTGZKZEYSA-N	0	0	476.554	5.891	40	5		JKBBRN
CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c2ccccc21	ZINC000409112110	570132525	/nfs/dbraw/zinc/13/25/25/570132525.db2.gz	KEARZTMQEULUFL-JCMHNJIXSA-N	0	0	493.357	6.234	40	5		JKBBRN
O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1	ZINC000409112671	570132756	/nfs/dbraw/zinc/13/27/56/570132756.db2.gz	FYABPUYAOZGGRJ-UHFFFAOYSA-N	0	0	457.342	6.442	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccccc2)cc1	ZINC000409112884	570132923	/nfs/dbraw/zinc/13/29/23/570132923.db2.gz	MGPMHYYIVYYREF-UHFFFAOYSA-N	0	0	492.167	6.311	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])N1Cc1ccccc1	ZINC000409114765	570133516	/nfs/dbraw/zinc/13/35/16/570133516.db2.gz	QCHGQRGVDDIMCX-MHZLTWQESA-N	0	0	494.507	5.864	40	5		JKBBRN
Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409115714	570134011	/nfs/dbraw/zinc/13/40/11/570134011.db2.gz	JSUJNHPTTYAKTH-UHFFFAOYSA-N	0	0	451.737	7.055	40	5		JKBBRN
CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(F)cc3)c(=O)c2c1C	ZINC000409115882	570134018	/nfs/dbraw/zinc/13/40/18/570134018.db2.gz	IBOBZQNJNSKUSA-UHFFFAOYSA-N	0	0	469.563	6.048	40	5		JKBBRN
CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C	ZINC000409116244	570134135	/nfs/dbraw/zinc/13/41/35/570134135.db2.gz	IMZZTRMQXYQVLM-UHFFFAOYSA-N	0	0	479.627	6.525	40	5		JKBBRN
CCOc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409116503	570134295	/nfs/dbraw/zinc/13/42/95/570134295.db2.gz	MCJLDQBJILXQCZ-UHFFFAOYSA-N	0	0	485.378	6.564	40	5		JKBBRN
CCOc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1	ZINC000409116658	570134323	/nfs/dbraw/zinc/13/43/23/570134323.db2.gz	LGVCVUTUPSORKG-UHFFFAOYSA-N	0	0	456.926	6.237	40	5		JKBBRN
CCOc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409117464	570134590	/nfs/dbraw/zinc/13/45/90/570134590.db2.gz	NSKCYEVQHRMPRA-UHFFFAOYSA-N	0	0	485.378	6.564	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(F)cc2)N1Cc1ccccc1	ZINC000409118556	570134978	/nfs/dbraw/zinc/13/49/78/570134978.db2.gz	OAYSSDZIRKLIPI-MHZLTWQESA-N	0	0	467.500	6.095	40	5		JKBBRN
CC(C)c1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000409120558	570135690	/nfs/dbraw/zinc/13/56/90/570135690.db2.gz	UGPHSINYKZADAA-SSEXGKCCSA-N	0	0	491.591	7.080	40	5		JKBBRN
CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409121121	570135796	/nfs/dbraw/zinc/13/57/96/570135796.db2.gz	YLQZZJJZAXGXQA-UHFFFAOYSA-N	0	0	457.324	5.947	40	5		JKBBRN
COc1cc(CNc2cccc(Cl)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409122510	570136346	/nfs/dbraw/zinc/13/63/46/570136346.db2.gz	YYLKTOHADMTXSY-UHFFFAOYSA-N	0	0	491.769	6.519	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc3ccccc32)N1Cc1ccccc1	ZINC000409123356	570136720	/nfs/dbraw/zinc/13/67/20/570136720.db2.gz	FUTORICUHDBMKJ-WJOKGBTCSA-N	0	0	499.570	7.109	40	5		JKBBRN
COCCN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O	ZINC000409132107	570140649	/nfs/dbraw/zinc/14/06/49/570140649.db2.gz	OULJPCJBHOJGNT-HYARGMPZSA-N	0	0	464.499	5.010	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1	ZINC000409132668	570140879	/nfs/dbraw/zinc/14/08/79/570140879.db2.gz	LFVPNJNSIBSBCJ-CIAFOILYSA-N	0	0	483.502	5.912	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1	ZINC000409141488	570144869	/nfs/dbraw/zinc/14/48/69/570144869.db2.gz	ITXYTHSKZCHHPN-HYARGMPZSA-N	0	0	452.532	5.790	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CC1CCCCC1	ZINC000409145626	570146718	/nfs/dbraw/zinc/14/67/18/570146718.db2.gz	QLKROURJPQVGCX-HYARGMPZSA-N	0	0	452.532	5.790	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1	ZINC000409148847	570148236	/nfs/dbraw/zinc/14/82/36/570148236.db2.gz	SRBNUEBHQBLOPH-JJIBRWJFSA-N	0	0	474.538	5.843	40	5		JKBBRN
Cc1ccc(-c2nn(CC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c(=S)o2)cc1	ZINC000409150986	570149108	/nfs/dbraw/zinc/14/91/08/570149108.db2.gz	FTOOQWSHJUZJIY-UHFFFAOYSA-N	0	0	467.532	5.160	40	5		JKBBRN
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1	ZINC000409153125	570149629	/nfs/dbraw/zinc/14/96/29/570149629.db2.gz	HCGVZWDAEUYLHO-UDWIEESQSA-N	0	0	495.538	5.252	40	5		JKBBRN
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	ZINC000409154975	570150201	/nfs/dbraw/zinc/15/02/01/570150201.db2.gz	POWYFRZUJWAEEK-UDWIEESQSA-N	0	0	477.498	5.147	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409164806	570152946	/nfs/dbraw/zinc/15/29/46/570152946.db2.gz	ODSFGNOLVSDWKN-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000409172965	570155606	/nfs/dbraw/zinc/15/56/06/570155606.db2.gz	JUKMAIUGTUAEKR-MHZLTWQESA-N	0	0	494.503	5.937	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	ZINC000409173932	570156055	/nfs/dbraw/zinc/15/60/55/570156055.db2.gz	PRLLSBFLZLLCSO-UHFFFAOYSA-N	0	0	473.781	5.214	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1N1C(=O)c2ccccc2C1=O	ZINC000409176146	570156944	/nfs/dbraw/zinc/15/69/44/570156944.db2.gz	IMLQGIKXAJOPJV-UHFFFAOYSA-N	0	0	494.459	5.545	40	5		JKBBRN
Cc1c(Br)cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000409176765	570157196	/nfs/dbraw/zinc/15/71/96/570157196.db2.gz	XAZFDSGJKJLNFD-OAQYLSRUSA-N	0	0	499.273	5.355	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1ccccc1	ZINC000409176877	570157276	/nfs/dbraw/zinc/15/72/76/570157276.db2.gz	ZTSUVZOOUOMKBX-SANMLTNESA-N	0	0	452.466	6.119	40	5		JKBBRN
O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc2ccccc21	ZINC000409177178	570157373	/nfs/dbraw/zinc/15/73/73/570157373.db2.gz	CWXGQKWBLHZEMI-UHFFFAOYSA-N	0	0	470.481	6.002	40	5		JKBBRN
CC(C)(C)c1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1	ZINC000409177106	570157385	/nfs/dbraw/zinc/15/73/85/570157385.db2.gz	ARKZFJRSYZUURB-AREMUKBSSA-N	0	0	473.569	6.971	40	5		JKBBRN
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409177088	570157433	/nfs/dbraw/zinc/15/74/33/570157433.db2.gz	AFJYLBCZNXMRQD-UHFFFAOYSA-N	0	0	475.284	5.276	40	5		JKBBRN
Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c2)cc1	ZINC000409177318	570157479	/nfs/dbraw/zinc/15/74/79/570157479.db2.gz	DKTDIABAYYTPFY-UHFFFAOYSA-N	0	0	482.492	6.305	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)-c1ccccc1C2=O	ZINC000409177464	570157498	/nfs/dbraw/zinc/15/74/98/570157498.db2.gz	FLXWZJMZCKEZBP-UHFFFAOYSA-N	0	0	451.434	5.956	40	5		JKBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O	ZINC000409177345	570157534	/nfs/dbraw/zinc/15/75/34/570157534.db2.gz	FAQFPKXZTVXDBB-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000409177671	570157592	/nfs/dbraw/zinc/15/75/92/570157592.db2.gz	BWCUGLNBSPYQFI-UHFFFAOYSA-N	0	0	459.479	5.314	40	5		JKBBRN
Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000409177838	570157692	/nfs/dbraw/zinc/15/76/92/570157692.db2.gz	JHSPFAJXQQYCNM-AREMUKBSSA-N	0	0	460.486	5.098	40	5		JKBBRN
Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000409177839	570157746	/nfs/dbraw/zinc/15/77/46/570157746.db2.gz	JHSPFAJXQQYCNM-SANMLTNESA-N	0	0	460.486	5.098	40	5		JKBBRN
CC(C)(C)c1cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc(C(C)(C)C)c1	ZINC000409177997	570157808	/nfs/dbraw/zinc/15/78/08/570157808.db2.gz	KDUNTFHZAHBBPV-UHFFFAOYSA-N	0	0	461.558	7.339	40	5		JKBBRN
O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000409177929	570157841	/nfs/dbraw/zinc/15/78/41/570157841.db2.gz	HESWABXRPJUGRE-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000409178412	570157968	/nfs/dbraw/zinc/15/79/68/570157968.db2.gz	HLMBBLMBIDXVHK-HXUWFJFHSA-N	0	0	474.694	5.792	40	5		JKBBRN
O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	ZINC000409178508	570158015	/nfs/dbraw/zinc/15/80/15/570158015.db2.gz	KKSAGLNXWDKEPY-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1I	ZINC000409178582	570158071	/nfs/dbraw/zinc/15/80/71/570158071.db2.gz	LLULDJGKARICOE-UHFFFAOYSA-N	0	0	475.238	5.349	40	5		JKBBRN
Cc1ccc(C)c(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1	ZINC000409178980	570158102	/nfs/dbraw/zinc/15/81/02/570158102.db2.gz	LVXUDMHICVEXBT-SANMLTNESA-N	0	0	460.486	5.098	40	5		JKBBRN
Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1	ZINC000409178779	570158106	/nfs/dbraw/zinc/15/81/06/570158106.db2.gz	NHPODKSONSJPJJ-UHFFFAOYSA-N	0	0	482.492	6.305	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)-c1ccccc1C2=O	ZINC000409179182	570158194	/nfs/dbraw/zinc/15/81/94/570158194.db2.gz	PSCJOJCTJASPSI-UHFFFAOYSA-N	0	0	451.434	5.956	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409179346	570158304	/nfs/dbraw/zinc/15/83/04/570158304.db2.gz	QOQUOKYJESSQOU-UHFFFAOYSA-N	0	0	486.505	6.601	40	5		JKBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000409179950	570158690	/nfs/dbraw/zinc/15/86/90/570158690.db2.gz	QSCYMCJHCPIABK-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000409180399	570158918	/nfs/dbraw/zinc/15/89/18/570158918.db2.gz	WZBONBTUCIXNHM-UHFFFAOYSA-N	0	0	452.677	6.704	40	5		JKBBRN
CC(C)(C)c1cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(C(C)(C)C)c1	ZINC000409180832	570159110	/nfs/dbraw/zinc/15/91/10/570159110.db2.gz	WAISUNWQFXDOCM-UHFFFAOYSA-N	0	0	461.558	7.339	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1c2ccccc2nc2c1CCCC2	ZINC000409180906	570159118	/nfs/dbraw/zinc/15/91/18/570159118.db2.gz	UIQQQMJXGZRTSE-MHZLTWQESA-N	0	0	466.493	5.803	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-]	ZINC000409181128	570159167	/nfs/dbraw/zinc/15/91/67/570159167.db2.gz	XECPDTSQAIVEOT-UHFFFAOYSA-N	0	0	475.953	7.346	40	5		JKBBRN
Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000409181289	570159311	/nfs/dbraw/zinc/15/93/11/570159311.db2.gz	AQBOGVLHLLHFSF-UHFFFAOYSA-N	0	0	485.279	5.368	40	5		JKBBRN
Cc1ccc(OCc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1	ZINC000409181590	570159372	/nfs/dbraw/zinc/15/93/72/570159372.db2.gz	DIUCPUFHPFJOBL-UHFFFAOYSA-N	0	0	469.493	6.632	40	5		JKBBRN
O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	ZINC000409181811	570159524	/nfs/dbraw/zinc/15/95/24/570159524.db2.gz	FKMHBDOYDZTYAJ-SANMLTNESA-N	0	0	480.476	5.628	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OCc2ccccc2)cc1	ZINC000409182298	570159721	/nfs/dbraw/zinc/15/97/21/570159721.db2.gz	JUCKPNJHPJIDSF-UHFFFAOYSA-N	0	0	455.466	6.323	40	5		JKBBRN
Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	ZINC000409182603	570159953	/nfs/dbraw/zinc/15/99/53/570159953.db2.gz	NAQQDPXSTWQZSL-UHFFFAOYSA-N	0	0	482.492	6.305	40	5		JKBBRN
O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000409182949	570160020	/nfs/dbraw/zinc/16/00/20/570160020.db2.gz	PHAMUNPNZBDLBU-AREMUKBSSA-N	0	0	480.476	5.628	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000409182865	570160098	/nfs/dbraw/zinc/16/00/98/570160098.db2.gz	OXKOETJQEOKOIT-UHFFFAOYSA-N	0	0	479.445	5.066	40	5		JKBBRN
COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000409183859	570160286	/nfs/dbraw/zinc/16/02/86/570160286.db2.gz	VUDDPYSNIIRSMK-RUZDIDTESA-N	0	0	496.903	5.143	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1	ZINC000409191419	570162134	/nfs/dbraw/zinc/16/21/34/570162134.db2.gz	GYICGSPUAFQRMD-RGVLZGJSSA-N	0	0	497.872	6.190	40	5		JKBBRN
Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1C	ZINC000409193132	570162607	/nfs/dbraw/zinc/16/26/07/570162607.db2.gz	CLTLCOTUFZGKAQ-RFBIWTDZSA-N	0	0	477.973	6.340	40	5		JKBBRN
COc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000409195321	570163317	/nfs/dbraw/zinc/16/33/17/570163317.db2.gz	ONXCFMDJSMGWQN-JMIUGGIZSA-N	0	0	492.871	5.129	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(-c3nc4ccccc4s3)c2-c2ccccc2)cc1	ZINC000409195529	570163372	/nfs/dbraw/zinc/16/33/72/570163372.db2.gz	WEIGFKNFMHLHKS-UHFFFAOYSA-N	0	0	473.557	7.996	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O	ZINC000409196372	570163706	/nfs/dbraw/zinc/16/37/06/570163706.db2.gz	ZTJUNFYQAGHYNR-KOTFUQRNSA-N	0	0	474.856	5.212	40	5		JKBBRN
COc1ccc(-c2s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n(C)c2-c2ccc(OC)cc2)cc1	ZINC000409197840	570164041	/nfs/dbraw/zinc/16/40/41/570164041.db2.gz	PYOPFKJOVILMMO-QPLCGJKRSA-N	0	0	475.526	5.087	40	5		JKBBRN
COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1	ZINC000409200403	570165091	/nfs/dbraw/zinc/16/50/91/570165091.db2.gz	RXSKQIPOOGFWFE-LCUIJRPUSA-N	0	0	479.945	5.732	40	5		JKBBRN
Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1	ZINC000409206423	570167359	/nfs/dbraw/zinc/16/73/59/570167359.db2.gz	ODBCHHDWLJWTDW-LCUIJRPUSA-N	0	0	463.946	6.032	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1CCc1ccccc1	ZINC000409215102	570171956	/nfs/dbraw/zinc/17/19/56/570171956.db2.gz	ZTULFEOTDJSGGO-DEDYPNTBSA-N	0	0	454.891	5.787	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409216987	570173047	/nfs/dbraw/zinc/17/30/47/570173047.db2.gz	QJYGKVJBOYHLHV-DEDYPNTBSA-N	0	0	463.471	5.422	40	5		JKBBRN
COCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O	ZINC000409218965	570173864	/nfs/dbraw/zinc/17/38/64/570173864.db2.gz	ZCAPXRSMOBBLHQ-BOPFTXTBSA-N	0	0	450.925	5.082	40	5		JKBBRN
O=C(CN1C(=O)SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)c1ccccc1	ZINC000409220365	570174087	/nfs/dbraw/zinc/17/40/87/570174087.db2.gz	XXERKXUPBVDALV-RGVLZGJSSA-N	0	0	468.874	5.427	40	5		JKBBRN
O=C1N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1Cc1ccccc1	ZINC000409230010	570177409	/nfs/dbraw/zinc/17/74/09/570177409.db2.gz	WLFPGVQMDCKCBS-PCLIKHOPSA-N	0	0	479.492	5.420	40	5		JKBBRN
O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccccc1	ZINC000409233702	570178838	/nfs/dbraw/zinc/17/88/38/570178838.db2.gz	WDWHHRIKORFEAU-CIAFOILYSA-N	0	0	498.322	5.574	40	5		JKBBRN
Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cccc1[N+](=O)[O-]	ZINC000328971286	570179954	/nfs/dbraw/zinc/17/99/54/570179954.db2.gz	DPSYHDWKNGJRKH-UHFFFAOYSA-N	0	0	473.455	5.201	40	5		JKBBRN
CCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	ZINC000409236709	570180052	/nfs/dbraw/zinc/18/00/52/570180052.db2.gz	GQSAWGZVYASKCJ-WOJGMQOQSA-N	0	0	462.911	5.282	40	5		JKBBRN
CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409238868	570180998	/nfs/dbraw/zinc/18/09/98/570180998.db2.gz	LUGDIUURIQGTLY-FYJGNVAPSA-N	0	0	493.903	5.323	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccccc1Cl	ZINC000409252569	570186152	/nfs/dbraw/zinc/18/61/52/570186152.db2.gz	SRSNPWPUEVKNKZ-OEAKJJBVSA-N	0	0	472.953	6.321	40	5		JKBBRN
O=c1[nH]c(-c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc12	ZINC000409261835	570187628	/nfs/dbraw/zinc/18/76/28/570187628.db2.gz	DKRHBWUPCDVPSX-UHFFFAOYSA-N	0	0	483.234	5.374	40	5		JKBBRN
O=c1[nH]c(-c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])nc2ccccc12	ZINC000409262190	570187824	/nfs/dbraw/zinc/18/78/24/570187824.db2.gz	DDBOLBPHKDPMHJ-UHFFFAOYSA-N	0	0	452.264	5.252	40	5		JKBBRN
CC(C)(C)c1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(C(C)(C)C)c1O	ZINC000408532420	570188530	/nfs/dbraw/zinc/18/85/30/570188530.db2.gz	OJEPKQWFLKJUKY-BKUYFWCQSA-N	0	0	496.585	5.815	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1cccc2ccccc21	ZINC000409269251	570189022	/nfs/dbraw/zinc/18/90/22/570189022.db2.gz	AESSEERSTGZWJR-OEAKJJBVSA-N	0	0	499.504	5.683	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1cccc2ccccc21	ZINC000409274562	570189661	/nfs/dbraw/zinc/18/96/61/570189661.db2.gz	PPICEQNSBDVMGJ-OEAKJJBVSA-N	0	0	499.504	5.683	40	5		JKBBRN
CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	ZINC000408543698	570192211	/nfs/dbraw/zinc/19/22/11/570192211.db2.gz	QHNZZJLVJHKKLG-TWGQIWQCSA-N	0	0	493.741	6.455	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccccc2O)c(C)c1	ZINC000408544278	570192453	/nfs/dbraw/zinc/19/24/53/570192453.db2.gz	UYCWCXQDUMXDPB-UHFFFAOYSA-N	0	0	489.557	5.204	40	5		JKBBRN
Cc1noc(/C=C\c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)cc2)c1[N+](=O)[O-]	ZINC000408544844	570192694	/nfs/dbraw/zinc/19/26/94/570192694.db2.gz	VOONOEUDFNNLGU-TWGQIWQCSA-N	0	0	486.322	5.458	40	5		JKBBRN
COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408553566	570195881	/nfs/dbraw/zinc/19/58/81/570195881.db2.gz	ATHHNIQSUSCXLF-HSZRJFAPSA-N	0	0	470.934	5.614	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)cc1	ZINC000408553850	570195972	/nfs/dbraw/zinc/19/59/72/570195972.db2.gz	BLSDVQVVOIZCTH-UHFFFAOYSA-N	0	0	455.898	5.277	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	ZINC000408554507	570196340	/nfs/dbraw/zinc/19/63/40/570196340.db2.gz	FFZDSVOVNIDJAL-UHFFFAOYSA-N	0	0	481.763	7.145	40	5		JKBBRN
COc1cc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)ccc1[N+](=O)[O-]	ZINC000408554803	570196431	/nfs/dbraw/zinc/19/64/31/570196431.db2.gz	UNKHPTHJIZVWTM-UHFFFAOYSA-N	0	0	498.870	5.463	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	ZINC000408555519	570196865	/nfs/dbraw/zinc/19/68/65/570196865.db2.gz	HCQABUHGZDHCED-UHFFFAOYSA-N	0	0	471.351	6.256	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F	ZINC000408556177	570197280	/nfs/dbraw/zinc/19/72/80/570197280.db2.gz	IDADRIRMWHCOKY-UHFFFAOYSA-N	0	0	475.314	6.086	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)c1	ZINC000408557224	570198026	/nfs/dbraw/zinc/19/80/26/570198026.db2.gz	NWKHLXKEVAUMQV-UHFFFAOYSA-N	0	0	463.331	6.702	40	5		JKBBRN
CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1cccc(Cl)c1	ZINC000408558308	570198971	/nfs/dbraw/zinc/19/89/71/570198971.db2.gz	QIUVTPJBUPMJOI-UHFFFAOYSA-N	0	0	489.937	5.008	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000408559085	570199447	/nfs/dbraw/zinc/19/94/47/570199447.db2.gz	XJXSYTBJNPJSLO-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1	ZINC000408559665	570199920	/nfs/dbraw/zinc/19/99/20/570199920.db2.gz	ATNOVDZWNCLSNU-VHXPQNKSSA-N	0	0	468.535	5.363	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408561500	570201146	/nfs/dbraw/zinc/20/11/46/570201146.db2.gz	IWOPWQCCRPESOO-DAFNUICNSA-N	0	0	498.819	6.799	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408562260	570201595	/nfs/dbraw/zinc/20/15/95/570201595.db2.gz	OLMLXAOFEXUJJC-GFMRDNFCSA-N	0	0	484.792	6.408	40	5		JKBBRN
CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000408562503	570201840	/nfs/dbraw/zinc/20/18/40/570201840.db2.gz	QJCZCIIXMCVVMJ-QOCHGBHMSA-N	0	0	481.317	5.409	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1	ZINC000408562871	570201974	/nfs/dbraw/zinc/20/19/74/570201974.db2.gz	SCHXCUHXDSIVQR-ATJXCDBQSA-N	0	0	494.798	5.864	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1	ZINC000408562878	570202003	/nfs/dbraw/zinc/20/20/03/570202003.db2.gz	SCMPOLGVBDMEGR-XDOYNYLZSA-N	0	0	460.353	5.211	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408563177	570202077	/nfs/dbraw/zinc/20/20/77/570202077.db2.gz	UNCAGPXXGQOLPW-GFMRDNFCSA-N	0	0	484.792	6.408	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408563101	570202093	/nfs/dbraw/zinc/20/20/93/570202093.db2.gz	UCAJLAKYAQHFRQ-DAFNUICNSA-N	0	0	498.819	6.799	40	5		JKBBRN
O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1c1ccccc1	ZINC000409326838	570202447	/nfs/dbraw/zinc/20/24/47/570202447.db2.gz	FECGAYZBGSGYLZ-SANMLTNESA-N	0	0	469.928	6.614	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1	ZINC000408564989	570202899	/nfs/dbraw/zinc/20/28/99/570202899.db2.gz	AWQBVVBSYPTHFU-XMMPIXPASA-N	0	0	494.548	5.413	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc2ccccc21	ZINC000408564964	570202950	/nfs/dbraw/zinc/20/29/50/570202950.db2.gz	ATUBQHXHOAWWDA-SANMLTNESA-N	0	0	466.537	6.707	40	5		JKBBRN
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cc(Cl)ccc2o1	ZINC000409328413	570202957	/nfs/dbraw/zinc/20/29/57/570202957.db2.gz	UUMURDMVIXWTKM-UHFFFAOYSA-N	0	0	457.899	5.004	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	ZINC000408565098	570203047	/nfs/dbraw/zinc/20/30/47/570203047.db2.gz	HRAWXSGSMMPZFZ-WQWSHVPRSA-N	0	0	498.366	5.094	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1	ZINC000408565087	570203053	/nfs/dbraw/zinc/20/30/53/570203053.db2.gz	BDXYUZLZVINCDK-IBGZPJMESA-N	0	0	475.759	7.116	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	ZINC000408565094	570203056	/nfs/dbraw/zinc/20/30/56/570203056.db2.gz	HRAWXSGSMMPZFZ-HGMMTPDKSA-N	0	0	498.366	5.094	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1	ZINC000408565882	570203511	/nfs/dbraw/zinc/20/35/11/570203511.db2.gz	DBWOJNJSNAXGMI-XMMPIXPASA-N	0	0	494.548	5.413	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1	ZINC000408565900	570203514	/nfs/dbraw/zinc/20/35/14/570203514.db2.gz	DDYFUHCXPPKPIM-FQEVSTJZSA-N	0	0	485.765	6.571	40	5		JKBBRN
CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1	ZINC000408566105	570203595	/nfs/dbraw/zinc/20/35/95/570203595.db2.gz	DWLZWZUCDBHTAW-GOSISDBHSA-N	0	0	453.351	5.391	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	ZINC000408566032	570203621	/nfs/dbraw/zinc/20/36/21/570203621.db2.gz	DPHHDATXJJDNAI-IBGZPJMESA-N	0	0	459.304	6.601	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)cc1	ZINC000408566720	570203818	/nfs/dbraw/zinc/20/38/18/570203818.db2.gz	GACRZKBBRNLKFM-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(F)cc1	ZINC000408566707	570203839	/nfs/dbraw/zinc/20/38/39/570203839.db2.gz	FZPTVNKBYOSCKE-OAQYLSRUSA-N	0	0	469.310	6.057	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1	ZINC000408567097	570203855	/nfs/dbraw/zinc/20/38/55/570203855.db2.gz	GLIUQOHHJMPGKL-DEOSSOPVSA-N	0	0	494.548	5.413	40	5		JKBBRN
O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000408566849	570203904	/nfs/dbraw/zinc/20/39/04/570203904.db2.gz	PMTNZPNPERANRG-JJIBRWJFSA-N	0	0	481.474	5.503	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(Cl)cc1	ZINC000408567590	570204142	/nfs/dbraw/zinc/20/41/42/570204142.db2.gz	GWZQENKZSWYNDR-HSZRJFAPSA-N	0	0	480.977	5.918	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	ZINC000408568150	570204143	/nfs/dbraw/zinc/20/41/43/570204143.db2.gz	HTQCAHVICFERFW-LJQANCHMSA-N	0	0	459.304	6.601	40	5		JKBBRN
Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])c3c[nH]c4ccccc43)cc2Br)cc1	ZINC000408569098	570204245	/nfs/dbraw/zinc/20/42/45/570204245.db2.gz	IUUQXBRTCJFZMT-NRFANRHFSA-N	0	0	465.347	6.226	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(F)cc1	ZINC000408569567	570204362	/nfs/dbraw/zinc/20/43/62/570204362.db2.gz	JOESDHGHKLICJT-HSZRJFAPSA-N	0	0	482.512	5.543	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(Cl)cc1	ZINC000408569134	570204427	/nfs/dbraw/zinc/20/44/27/570204427.db2.gz	IYKCPTVFSISKBH-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(C)c(C)c1	ZINC000408569891	570204512	/nfs/dbraw/zinc/20/45/12/570204512.db2.gz	KDUXCFFBIUKDNC-VWLOTQADSA-N	0	0	492.576	6.021	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(F)cc2)c(Br)c1	ZINC000408570871	570204636	/nfs/dbraw/zinc/20/46/36/570204636.db2.gz	MCVMAFAHPYUFTG-FQEVSTJZSA-N	0	0	469.310	6.057	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(C)cc1	ZINC000408571095	570204644	/nfs/dbraw/zinc/20/46/44/570204644.db2.gz	NMCAHYOGVPJKBU-XMMPIXPASA-N	0	0	495.004	6.227	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(C)c(C)c1	ZINC000408570902	570204648	/nfs/dbraw/zinc/20/46/48/570204648.db2.gz	MGMFSFXDYYWCBQ-VWLOTQADSA-N	0	0	492.576	6.021	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1F	ZINC000408571166	570204653	/nfs/dbraw/zinc/20/46/53/570204653.db2.gz	NYUNAUQNGKBSPK-LJQANCHMSA-N	0	0	499.336	6.066	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1cccc(C)c1	ZINC000408571152	570204658	/nfs/dbraw/zinc/20/46/58/570204658.db2.gz	NWRRJXAHGVQNTF-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1	ZINC000408571155	570204668	/nfs/dbraw/zinc/20/46/68/570204668.db2.gz	NWVXLNKSOZVDDV-VWLOTQADSA-N	0	0	490.585	5.582	40	5		JKBBRN
CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl	ZINC000408571177	570204686	/nfs/dbraw/zinc/20/46/86/570204686.db2.gz	OBGKYTWRKPLPLU-KRWDZBQOSA-N	0	0	487.796	6.045	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(C)cc1	ZINC000408571922	570204845	/nfs/dbraw/zinc/20/48/45/570204845.db2.gz	PXBWICNVPDUQKH-DEOSSOPVSA-N	0	0	495.004	6.227	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1	ZINC000408571845	570204861	/nfs/dbraw/zinc/20/48/61/570204861.db2.gz	PRWPKQDZAZXSHL-RUZDIDTESA-N	0	0	490.585	5.582	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1	ZINC000408571847	570204864	/nfs/dbraw/zinc/20/48/64/570204864.db2.gz	PRWPKQDZAZXSHL-VWLOTQADSA-N	0	0	490.585	5.582	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(F)cc1	ZINC000408572157	570204892	/nfs/dbraw/zinc/20/48/92/570204892.db2.gz	QRWMJYUWOIGOKS-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000408572547	570204971	/nfs/dbraw/zinc/20/49/71/570204971.db2.gz	JTYDKYDMSRMQQS-ZRDIBKRKSA-N	0	0	476.539	5.505	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(Cl)cc1	ZINC000408572656	570205019	/nfs/dbraw/zinc/20/50/19/570205019.db2.gz	RQRTYOFEKJHSSC-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccccc1	ZINC000408573159	570205138	/nfs/dbraw/zinc/20/51/38/570205138.db2.gz	SQWDRZXPPHDQGP-HSZRJFAPSA-N	0	0	480.977	5.918	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	ZINC000408574103	570205352	/nfs/dbraw/zinc/20/53/52/570205352.db2.gz	USSCFRUKSTZYQP-GOSISDBHSA-N	0	0	475.759	7.116	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(C)cc1	ZINC000408575485	570205669	/nfs/dbraw/zinc/20/56/69/570205669.db2.gz	WIKHDZGIRRYSFW-OAQYLSRUSA-N	0	0	495.373	6.235	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(C)cc1	ZINC000408575480	570205689	/nfs/dbraw/zinc/20/56/89/570205689.db2.gz	WIKHDZGIRRYSFW-NRFANRHFSA-N	0	0	495.373	6.235	40	5		JKBBRN
COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Br	ZINC000408575826	570205775	/nfs/dbraw/zinc/20/57/75/570205775.db2.gz	WWFOZBDKASYGRP-IBGZPJMESA-N	0	0	477.384	5.074	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1cccc(C)c1	ZINC000408576035	570205800	/nfs/dbraw/zinc/20/58/00/570205800.db2.gz	XETIBPGPJAOIQS-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Br)cc1	ZINC000408577100	570206070	/nfs/dbraw/zinc/20/60/70/570206070.db2.gz	YOJLXQKQYRROOO-OAQYLSRUSA-N	0	0	481.346	5.927	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc2ccccc2c1	ZINC000408577016	570206093	/nfs/dbraw/zinc/20/60/93/570206093.db2.gz	YJBDAZUSXULOKH-SANMLTNESA-N	0	0	466.537	6.707	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)cc1	ZINC000408577267	570206128	/nfs/dbraw/zinc/20/61/28/570206128.db2.gz	YWXNYXWNXIQNGR-RUZDIDTESA-N	0	0	490.585	5.582	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccccc1	ZINC000408577286	570206135	/nfs/dbraw/zinc/20/61/35/570206135.db2.gz	YYCGFVNGLMFIJT-NRFANRHFSA-N	0	0	451.320	5.918	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1cccc(C)c1	ZINC000408577780	570206194	/nfs/dbraw/zinc/20/61/94/570206194.db2.gz	ZWHUSYKSUHJKQT-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1	ZINC000408582962	570207157	/nfs/dbraw/zinc/20/71/57/570207157.db2.gz	PZIACCQTGOUPQC-UHFFFAOYSA-N	0	0	484.253	5.797	40	5		JKBBRN
Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)N4CCCc5ccccc54)c3cc2c1	ZINC000001327831	194088258	/nfs/dbraw/zinc/08/82/58/194088258.db2.gz	FCRFGCURQCOBOC-UHFFFAOYSA-N	0	0	470.623	6.081	40	5		JKBBRN
COc1ccc2nc3sc4c(ncnc4SCC(=O)N4CCCc5ccccc54)c3cc2c1	ZINC000001327833	194088268	/nfs/dbraw/zinc/08/82/68/194088268.db2.gz	BUSRCUQYEGWNPB-UHFFFAOYSA-N	0	0	472.595	5.473	40	5		JKBBRN
COc1ccc2nc3sc4c(ncnc4SCC(=O)Nc4ccc(C(C)=O)cc4)c3cc2c1	ZINC000001327820	194088287	/nfs/dbraw/zinc/08/82/87/194088287.db2.gz	QJMIURJWRVBLSQ-UHFFFAOYSA-N	0	0	474.567	5.335	40	5		JKBBRN
CC(=O)c1ccc(NC(=O)CSc2ncnc3c4cc5ccc(C)cc5nc4sc32)cc1	ZINC000001327815	194088296	/nfs/dbraw/zinc/08/82/96/194088296.db2.gz	IVAHYTAVOQZENE-UHFFFAOYSA-N	0	0	458.568	5.635	40	5		JKBBRN
COc1cc(NC(=O)CSc2ncnc3c4cc5cc(C)cc(C)c5nc4sc32)cc(OC)c1	ZINC000001327855	194088319	/nfs/dbraw/zinc/08/83/19/194088319.db2.gz	UVZXOPMNLYONMV-UHFFFAOYSA-N	0	0	490.610	5.758	40	5		JKBBRN
COc1cc(NC(=O)CSc2ncnc3c4cc5ccc(C)cc5nc4sc32)cc(OC)c1	ZINC000001327853	194088326	/nfs/dbraw/zinc/08/83/26/194088326.db2.gz	BEPQENLTCQAIQM-UHFFFAOYSA-N	0	0	476.583	5.449	40	5		JKBBRN
COc1ccc2nc3sc4c(ncnc4SCC(=O)N4c5ccccc5C[C@@H]4C)c3cc2c1	ZINC000001327847	194088223	/nfs/dbraw/zinc/08/82/23/194088223.db2.gz	FTAJRBAPOWXLNN-AWEZNQCLSA-N	0	0	472.595	5.471	40	5		JKBBRN
Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)N1c2ccccc2C[C@@H]1C	ZINC000001327845	194088241	/nfs/dbraw/zinc/08/82/41/194088241.db2.gz	NVZHWGBIRDLBNI-HNNXBMFYSA-N	0	0	456.596	5.771	40	5		JKBBRN
Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)N1CCCc2ccccc21	ZINC000001327829	194088247	/nfs/dbraw/zinc/08/82/47/194088247.db2.gz	KPEBKWUVFOTVTH-UHFFFAOYSA-N	0	0	456.596	5.773	40	5		JKBBRN
COP(=O)(OC)Oc1c(O)c2cccc3c(O)c(OP(=O)(OC)OC)c4cccc1c4c23	ZINC000001637908	194130064	/nfs/dbraw/zinc/13/00/64/194130064.db2.gz	OGQUWVNVUCTYSF-UHFFFAOYSA-N	0	0	482.318	5.555	40	5		JKBBRN
CC(C)(C)c1ccc(-n2c3ccccc3cc3c(=O)n(-c4ccccc4C(F)(F)F)c(=O)nc2-3)cc1	ZINC000001857717	194150369	/nfs/dbraw/zinc/15/03/69/194150369.db2.gz	WCJRXMPRWXOSMU-UHFFFAOYSA-N	0	0	489.497	5.958	40	5		JKBBRN
COc1cccc(NC(=O)/C(=C/c2c3ccccc3cc3ccccc32)NC(=O)c2ccccc2)c1	ZINC000003009951	194203617	/nfs/dbraw/zinc/20/36/17/194203617.db2.gz	UTBJOFZCOGVFAJ-BRPDVVIDSA-N	0	0	472.544	6.411	40	5		JKBBRN
Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)Nc1c2ccccc2n2c1c1ccccc1nc2C	ZINC000003426250	194320155	/nfs/dbraw/zinc/32/01/55/194320155.db2.gz	SYYOQNGRSMNXQO-ISLYRVAYSA-N	0	0	499.618	6.771	40	5		JKBBRN
CC(=O)N(C(C)=O)c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1	ZINC000003845330	194364052	/nfs/dbraw/zinc/36/40/52/194364052.db2.gz	BEVKXUSIODDZJU-WXUKJITCSA-N	0	0	471.469	5.743	40	5		JKBBRN
O=[N+]([O-])c1cc([C@H](O)Cc2ccc3ccccc3n2)ccc1[C@H](O)Cc1ccc2ccccc2n1	ZINC000003845189	194364136	/nfs/dbraw/zinc/36/41/36/194364136.db2.gz	NQCMQHOPGXXXNG-VSGBNLITSA-N	0	0	465.509	5.243	40	5		JKBBRN
COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610044	195183033	/nfs/dbraw/zinc/18/30/33/195183033.db2.gz	HKDJBZKIRPEMMH-NTCAYCPXSA-N	0	0	481.468	5.249	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2nn(-c3ccccc3)nc2c1	ZINC000020609879	195183115	/nfs/dbraw/zinc/18/31/15/195183115.db2.gz	QWCCUPCTTWXHQR-NTCAYCPXSA-N	0	0	451.442	5.241	40	5		JKBBRN
CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610298	195183332	/nfs/dbraw/zinc/18/33/32/195183332.db2.gz	WGXCFKVMOLKSBU-UHFFFAOYSA-N	0	0	483.484	5.548	40	5		JKBBRN
CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610622	195183785	/nfs/dbraw/zinc/18/37/85/195183785.db2.gz	ONFTYXKJWOGPHU-UHFFFAOYSA-N	0	0	467.485	5.964	40	5		JKBBRN
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020610994	195184628	/nfs/dbraw/zinc/18/46/28/195184628.db2.gz	RTAQFHWSDJEJLD-YCRREMRBSA-N	0	0	468.300	5.596	40	5		JKBBRN
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000020610988	195184748	/nfs/dbraw/zinc/18/47/48/195184748.db2.gz	VUETWENUKQIJNK-UHFFFAOYSA-N	0	0	498.351	6.411	40	5		JKBBRN
Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000020611129	195184861	/nfs/dbraw/zinc/18/48/61/195184861.db2.gz	JFCGTIFHDKNNIF-ACCUITESSA-N	0	0	483.459	5.688	40	5		JKBBRN
Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000020611113	195184924	/nfs/dbraw/zinc/18/49/24/195184924.db2.gz	KEYIJRNEWGAOAR-UHFFFAOYSA-N	0	0	481.896	5.897	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(F)cc5)nc4cc3C)o2)c([N+](=O)[O-])c1	ZINC000020611144	195184961	/nfs/dbraw/zinc/18/49/61/195184961.db2.gz	CZOYQRXKQBUDNN-UHFFFAOYSA-N	0	0	487.447	5.297	40	5		JKBBRN
COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000020611392	195185268	/nfs/dbraw/zinc/18/52/68/195185268.db2.gz	PMFPLQUCBZQCBG-UHFFFAOYSA-N	0	0	490.859	5.972	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	ZINC000020611833	195185958	/nfs/dbraw/zinc/18/59/58/195185958.db2.gz	LCBQMKKBQDJTKW-ZZXKWVIFSA-N	0	0	488.327	5.650	40	5		JKBBRN
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1	ZINC000020797526	195226128	/nfs/dbraw/zinc/22/61/28/195226128.db2.gz	APVMKIKASJYTHD-JOCHJYFZSA-N	0	0	459.893	5.526	40	5		JKBBRN
CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020970357	195257628	/nfs/dbraw/zinc/25/76/28/195257628.db2.gz	OCHFBLMJRVBWNV-XMMPIXPASA-N	0	0	469.501	5.271	40	5		JKBBRN
CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000020970187	195257792	/nfs/dbraw/zinc/25/77/92/195257792.db2.gz	UCXASOFYOQXDGY-XMMPIXPASA-N	0	0	453.502	5.435	40	5		JKBBRN
CCOC(=O)C1C(c2ccc(F)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000021005755	195265947	/nfs/dbraw/zinc/26/59/47/195265947.db2.gz	UFEKCUKWBFCRKQ-QHCPKHFHSA-N	0	0	458.449	5.073	40	5		JKBBRN
CCOC(=O)C1C(c2ccc(F)cc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000021005753	195265992	/nfs/dbraw/zinc/26/59/92/195265992.db2.gz	UFEKCUKWBFCRKQ-HSZRJFAPSA-N	0	0	458.449	5.073	40	5		JKBBRN
CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1	ZINC000021576636	195315473	/nfs/dbraw/zinc/31/54/73/195315473.db2.gz	INJKSOPTPZWELZ-UHFFFAOYSA-N	0	0	496.951	5.209	40	5		JKBBRN
Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000021578757	195316438	/nfs/dbraw/zinc/31/64/38/195316438.db2.gz	WBWIAMHVLSTHSF-UHFFFAOYSA-N	0	0	467.481	6.841	40	5		JKBBRN
Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)oc2cc1C	ZINC000021578696	195316540	/nfs/dbraw/zinc/31/65/40/195316540.db2.gz	WCDGIGRELRWSRN-UHFFFAOYSA-N	0	0	484.556	6.571	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(Cl)c1N1CCCCC1	ZINC000021595569	195317887	/nfs/dbraw/zinc/31/78/87/195317887.db2.gz	FTPFSEROSWHKTA-WYMLVPIESA-N	0	0	451.910	6.150	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1	ZINC000021595982	195318289	/nfs/dbraw/zinc/31/82/89/195318289.db2.gz	OZQTYXCEVBFWAK-UHFFFAOYSA-N	0	0	484.556	6.508	40	5		JKBBRN
Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1	ZINC000059179594	195393512	/nfs/dbraw/zinc/39/35/12/195393512.db2.gz	GEFJOTLBXFYGKJ-UHFFFAOYSA-N	0	0	456.524	5.028	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)ccc3Cl)cc2[N+](=O)[O-])CC1	ZINC000059294021	195396720	/nfs/dbraw/zinc/39/67/20/195396720.db2.gz	DLTZPAFRZKMLKU-UHFFFAOYSA-N	0	0	489.963	6.280	40	5		JKBBRN
O=c1c2c3c(sc2nc(Sc2nc4ccc([N+](=O)[O-])cc4s2)n1-c1ccccc1)CCCC3	ZINC000059432017	195401777	/nfs/dbraw/zinc/40/17/77/195401777.db2.gz	QLLMMNXBWGRTDM-UHFFFAOYSA-N	0	0	492.607	5.995	40	5		JKBBRN
Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)sc3c2)c1	ZINC000059474820	195404071	/nfs/dbraw/zinc/40/40/71/195404071.db2.gz	YFLNBQKZDGPIMD-UHFFFAOYSA-N	0	0	478.555	5.496	40	5		JKBBRN
CC(C)(C)c1ccc(-c2nnc(Sc3nc4ccc([N+](=O)[O-])cc4s3)n2-c2ccccc2)cc1	ZINC000059489587	195407126	/nfs/dbraw/zinc/40/71/26/195407126.db2.gz	YQPBNJHERRQYMF-UHFFFAOYSA-N	0	0	487.610	6.901	40	5		JKBBRN
COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OCc1ccccc1[N+](=O)[O-]	ZINC000106698413	195458442	/nfs/dbraw/zinc/45/84/42/195458442.db2.gz	MQDRWSNCOIZKSU-QRVIBDJDSA-N	0	0	494.500	5.558	40	5		JKBBRN
Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1	ZINC000224819508	195461190	/nfs/dbraw/zinc/46/11/90/195461190.db2.gz	LJSBYSNVJLHCLU-MUUNZHRXSA-N	0	0	499.611	5.145	40	5		JKBBRN
Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1	ZINC000096297411	130052120	/nfs/dbraw/zinc/05/21/20/130052120.db2.gz	BITHNFCOBAMDHH-FKBYEOEOSA-N	0	0	498.322	5.261	40	5		JKBBRN
O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccccc1	ZINC000096297417	130052231	/nfs/dbraw/zinc/05/22/31/130052231.db2.gz	BRPVDHVWYDPSQO-OCBJUFRSSA-N	0	0	484.555	6.040	40	5		JKBBRN
CCC(=O)n1c(-c2ccc(C)cc2)nc2c1SC(c1ccc([N+](=O)[O-])cc1)=NN2C(=O)CC	ZINC000016777610	521259914	/nfs/dbraw/zinc/25/99/14/521259914.db2.gz	RBSOZFWFKKFZHE-UHFFFAOYSA-N	0	0	463.519	5.027	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1	ZINC000022572917	521264706	/nfs/dbraw/zinc/26/47/06/521264706.db2.gz	XDZLTZJKOWHMEH-UHFFFAOYSA-N	0	0	463.925	5.885	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1	ZINC000022741491	521266184	/nfs/dbraw/zinc/26/61/84/521266184.db2.gz	AAPYUJZHUCAIEW-UHFFFAOYSA-N	0	0	484.343	6.230	40	5		JKBBRN
COc1ccc(-c2nc(-c3ccc(Br)c([N+](=O)[O-])c3)[nH]c2-c2ccccc2)cc1	ZINC000006240009	523073355	/nfs/dbraw/zinc/07/33/55/523073355.db2.gz	AZLOIIQVWKETRF-UHFFFAOYSA-N	0	0	450.292	6.090	40	5		JKBBRN
CCc1cc2c(cc1OCc1ccc([N+](=O)[O-])cc1)occ(-c1cc(C(=O)OC)oc1C)c2=O	ZINC000026571667	523845610	/nfs/dbraw/zinc/84/56/10/523845610.db2.gz	IGURPHVUXFFOLE-UHFFFAOYSA-N	0	0	463.442	5.198	40	5		JKBBRN
Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032111976	525100971	/nfs/dbraw/zinc/10/09/71/525100971.db2.gz	XRISOOHRKLMHAT-YRNVUSSQSA-N	0	0	475.888	6.207	40	5		JKBBRN
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-]	ZINC000020458967	525612677	/nfs/dbraw/zinc/61/26/77/525612677.db2.gz	PJHPDIXDQDZSBQ-UHFFFAOYSA-N	0	0	452.532	5.233	40	5		JKBBRN
c1ccc(-c2ccc(/N=c3\oc4ccc5ccccc5c4cc3-c3nc4ccccc4[nH]3)cc2)cc1	ZINC000012491982	526451234	/nfs/dbraw/zinc/45/12/34/526451234.db2.gz	CPCSXAKKUPDNRC-KARKAFJISA-N	0	0	463.540	8.029	40	5		JKBBRN
O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc2ncccc21	ZINC000001263231	527120896	/nfs/dbraw/zinc/12/08/96/527120896.db2.gz	BNTLFBCTSZEXQA-UHFFFAOYSA-N	0	0	456.457	6.805	40	5		JKBBRN
O=C(Nc1ccc2cc3ccc(NC(=O)NC4CCCCC4)cc3nc2c1)NC1CCCCC1	ZINC000016400052	527293886	/nfs/dbraw/zinc/29/38/86/527293886.db2.gz	ZUBVHKYUZNRFNU-UHFFFAOYSA-N	0	0	459.594	6.296	40	5		JKBBRN
O=[N+]([O-])c1ccc([C@H]2N=C(c3ccccc3)N=C(N(c3ccccc3)c3ccccc3)S2)cc1	ZINC000036293461	527378260	/nfs/dbraw/zinc/37/82/60/527378260.db2.gz	AZYLXHVICHTYTE-SANMLTNESA-N	0	0	464.550	6.981	40	5		JKBBRN
O=[N+]([O-])c1ccc([C@@H]2N=C(c3ccccc3)N=C(N(c3ccccc3)c3ccccc3)S2)cc1	ZINC000036293462	527379248	/nfs/dbraw/zinc/37/92/48/527379248.db2.gz	AZYLXHVICHTYTE-AREMUKBSSA-N	0	0	464.550	6.981	40	5		JKBBRN
Cc1ccc(NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1	ZINC000000797501	553782607	/nfs/dbraw/zinc/78/26/07/553782607.db2.gz	VTIYCKFFODJTCC-UHFFFAOYSA-N	0	0	488.573	5.135	40	5		JKBBRN
Cc1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(-n2nc3ccccc3n2)c1	ZINC000000827856	553789206	/nfs/dbraw/zinc/78/92/06/553789206.db2.gz	CGSSLSPGMUWUNP-UHFFFAOYSA-N	0	0	466.453	5.649	40	5		JKBBRN
O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000861592	553802406	/nfs/dbraw/zinc/80/24/06/553802406.db2.gz	NUNDBRDLNXTGMM-UHFFFAOYSA-N	0	0	496.306	6.666	40	5		JKBBRN
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1	ZINC000000869029	553807998	/nfs/dbraw/zinc/80/79/98/553807998.db2.gz	UJYUMLQBXSGFSW-UHFFFAOYSA-N	0	0	489.557	5.102	40	5		JKBBRN
O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21	ZINC000000869955	553808495	/nfs/dbraw/zinc/80/84/95/553808495.db2.gz	SJPDHRSATYUSMP-UHFFFAOYSA-N	0	0	498.446	5.097	40	5		JKBBRN
Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000000871597	553810000	/nfs/dbraw/zinc/81/00/00/553810000.db2.gz	OPUIDKILAPUACF-KWUUDPFMSA-N	0	0	462.505	5.327	40	5		JKBBRN
O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc21)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000877988	553813979	/nfs/dbraw/zinc/81/39/79/553813979.db2.gz	AYELJFYAUUVYRF-UHFFFAOYSA-N	0	0	468.897	5.728	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1	ZINC000000888192	553826368	/nfs/dbraw/zinc/82/63/68/553826368.db2.gz	RDHQHUHSVCTOTH-UHFFFAOYSA-N	0	0	465.922	5.227	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1[N+](=O)[O-]	ZINC000000888197	553826582	/nfs/dbraw/zinc/82/65/82/553826582.db2.gz	IBNAPHUWBYQEKN-UHFFFAOYSA-N	0	0	479.949	5.535	40	5		JKBBRN
CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1Br	ZINC000000907411	553839953	/nfs/dbraw/zinc/83/99/53/553839953.db2.gz	AYPRTSQEWAAAGI-UHFFFAOYSA-N	0	0	496.774	5.020	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000907423	553839972	/nfs/dbraw/zinc/83/99/72/553839972.db2.gz	FQYRKTHQHBZSFY-UHFFFAOYSA-N	0	0	479.949	5.535	40	5		JKBBRN
O=C(Nc1ccccc1O)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1	ZINC000001082892	553905890	/nfs/dbraw/zinc/90/58/90/553905890.db2.gz	QLUNBFROMOKLHY-UHFFFAOYSA-N	0	0	476.872	6.791	40	5		JKBBRN
O=[N+]([O-])c1cc(F)c(Sc2cc(Br)c([N+](=O)[O-])cc2F)cc1Br	ZINC000001595353	553980177	/nfs/dbraw/zinc/98/01/77/553980177.db2.gz	RXQVNNYPLFQTHX-UHFFFAOYSA-N	0	0	470.045	5.457	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)SCCOC(=O)COc1ccc(Cl)cc1Cl	ZINC000001640292	553981185	/nfs/dbraw/zinc/98/11/85/553981185.db2.gz	RSBYFOONVYEHEW-UHFFFAOYSA-N	0	0	459.307	5.097	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1	ZINC000001846696	553995472	/nfs/dbraw/zinc/99/54/72/553995472.db2.gz	UPACAKVQPYTLQU-CQSZACIVSA-N	0	0	463.921	7.131	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccco1	ZINC000001848264	553995817	/nfs/dbraw/zinc/99/58/17/553995817.db2.gz	FDYFLDMYTXFGRZ-XMMPIXPASA-N	0	0	470.437	5.221	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000001852877	553996402	/nfs/dbraw/zinc/99/64/02/553996402.db2.gz	KGQFLSUVHKZIAY-CQSZACIVSA-N	0	0	479.920	6.831	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1	ZINC000001858114	553996951	/nfs/dbraw/zinc/99/69/51/553996951.db2.gz	OORWHCQKZLQESU-HNNXBMFYSA-N	0	0	479.920	6.587	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1	ZINC000001866206	553999168	/nfs/dbraw/zinc/99/91/68/553999168.db2.gz	LRJRBWUDSKHBKV-AWEZNQCLSA-N	0	0	463.921	7.131	40	5		JKBBRN
O=[N+]([O-])c1ccc(P(=O)(Nc2ccc3ccccc3c2)Nc2ccc3ccccc3c2)cc1	ZINC000001870332	553999920	/nfs/dbraw/zinc/99/99/20/553999920.db2.gz	UZWKLBMBMIUGSR-UHFFFAOYSA-N	0	0	453.438	6.944	40	5		JKBBRN
CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C(C)(C)C)C2	ZINC000001944463	554005596	/nfs/dbraw/zinc/00/55/96/554005596.db2.gz	KSODLEMUCPCPEQ-AWEZNQCLSA-N	0	0	460.552	5.002	40	5		JKBBRN
CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C(C)(C)C)C2	ZINC000001944464	554005638	/nfs/dbraw/zinc/00/56/38/554005638.db2.gz	KSODLEMUCPCPEQ-CQSZACIVSA-N	0	0	460.552	5.002	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)o1	ZINC000002080559	554026736	/nfs/dbraw/zinc/02/67/36/554026736.db2.gz	OQKANZNSIQHMHG-RGVLZGJSSA-N	0	0	481.442	5.008	40	5		JKBBRN
COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1OC	ZINC000002337191	554154650	/nfs/dbraw/zinc/15/46/50/554154650.db2.gz	QDIXKEGDBTYJGN-MRLUPLGUSA-N	0	0	490.943	5.253	40	5		JKBBRN
Cc1cc2nc(-c3cccc(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c3)oc2c(C)c1	ZINC000002383670	554176792	/nfs/dbraw/zinc/17/67/92/554176792.db2.gz	ANBKEEHZKDWEDU-UHFFFAOYSA-N	0	0	467.481	6.841	40	5		JKBBRN
O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1	ZINC000002685222	554282706	/nfs/dbraw/zinc/28/27/06/554282706.db2.gz	XYCFMCVCRZAKGE-UHFFFAOYSA-N	0	0	456.389	5.956	40	5		JKBBRN
O=[N+]([O-])c1cccc(Nc2nc(SCc3ccccc3)c(SCc3ccccc3)s2)c1	ZINC000003351091	554456627	/nfs/dbraw/zinc/45/66/27/554456627.db2.gz	NANNQVNDPRAEAF-UHFFFAOYSA-N	0	0	465.625	7.380	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccc3c(c2)OCO3)cc1/C=C\c1ccc2c(c1)OCO2	ZINC000005080546	554486208	/nfs/dbraw/zinc/48/62/08/554486208.db2.gz	NGMRWNUPBHUVGP-IOBHVTPZSA-N	0	0	460.398	5.301	40	5		JKBBRN
COc1ccc(OC)c(/C=C\c2cc(/C=C\c3cc(OC)ccc3OC)c([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000005080556	554486303	/nfs/dbraw/zinc/48/63/03/554486303.db2.gz	NCPLDOOQUOIPTK-SFECMWDFSA-N	0	0	492.484	5.878	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1[C@@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000005573416	554492340	/nfs/dbraw/zinc/49/23/40/554492340.db2.gz	ZDHLPGACZRGMKP-VWLOTQADSA-N	0	0	485.521	6.637	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)cc1	ZINC000005944364	554496898	/nfs/dbraw/zinc/49/68/98/554496898.db2.gz	IEKOMIKXHKNHGE-UHFFFAOYSA-N	0	0	486.572	5.997	40	5		JKBBRN
C[C@@H](Sc1nnc(C2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000006177393	554515087	/nfs/dbraw/zinc/51/50/87/554515087.db2.gz	XRZAOABUIRWUJX-MRXNPFEDSA-N	0	0	451.552	5.343	40	5		JKBBRN
Cc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-]	ZINC000006177611	554515320	/nfs/dbraw/zinc/51/53/20/554515320.db2.gz	KMAZUKTXXWXORM-UHFFFAOYSA-N	0	0	457.334	6.218	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccc(Cl)cc2)cc1	ZINC000006280109	554524240	/nfs/dbraw/zinc/52/42/40/554524240.db2.gz	BPGRQEZZQNLKNK-UHFFFAOYSA-N	0	0	493.976	5.844	40	5		JKBBRN
CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000006284330	554526995	/nfs/dbraw/zinc/52/69/95/554526995.db2.gz	BAVNGEWIIRKZLO-UHFFFAOYSA-N	0	0	456.502	5.818	40	5		JKBBRN
Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2cccc(Cl)c2)c1	ZINC000006442750	554537216	/nfs/dbraw/zinc/53/72/16/554537216.db2.gz	RFSMIFSROOPFIY-INIZCTEOSA-N	0	0	493.976	5.924	40	5		JKBBRN
O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000006474692	554544347	/nfs/dbraw/zinc/54/43/47/554544347.db2.gz	YOHJQCNNZZUTBW-UHFFFAOYSA-N	0	0	494.964	5.172	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000006474825	554544536	/nfs/dbraw/zinc/54/45/36/554544536.db2.gz	LHYUCJMJDDBRBX-UHFFFAOYSA-N	0	0	465.922	5.227	40	5		JKBBRN
O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000006474813	554544553	/nfs/dbraw/zinc/54/45/53/554544553.db2.gz	SODKGCKILQLRRK-UHFFFAOYSA-N	0	0	495.948	5.139	40	5		JKBBRN
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1	ZINC000008768563	554669182	/nfs/dbraw/zinc/66/91/82/554669182.db2.gz	UVOIYDICFROMMT-UHFFFAOYSA-N	0	0	452.532	5.031	40	5		JKBBRN
CC1(COC(=O)N2CCC[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2-c2ccccc21	ZINC000008815576	554697036	/nfs/dbraw/zinc/69/70/36/554697036.db2.gz	PFPQPFZIKBLXLW-XMMPIXPASA-N	0	0	471.513	5.121	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1	ZINC000008831040	554720976	/nfs/dbraw/zinc/72/09/76/554720976.db2.gz	QENUQSFCWNXPQD-UHFFFAOYSA-N	0	0	460.515	5.455	40	5		JKBBRN
Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)c1	ZINC000008831154	554721363	/nfs/dbraw/zinc/72/13/63/554721363.db2.gz	NBDGYRGRLIUASY-UHFFFAOYSA-N	0	0	460.515	5.455	40	5		JKBBRN
O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc2c(Cl)cccc12	ZINC000008831134	554721382	/nfs/dbraw/zinc/72/13/82/554721382.db2.gz	QIEKCPDPIJWEDA-UHFFFAOYSA-N	0	0	468.947	5.652	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)sc2c1	ZINC000008831852	554724084	/nfs/dbraw/zinc/72/40/84/554724084.db2.gz	KNZLOOZXDPIMIN-UHFFFAOYSA-N	0	0	458.543	6.032	40	5		JKBBRN
O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008831856	554724233	/nfs/dbraw/zinc/72/42/33/554724233.db2.gz	PKVOMLBZMDNIAA-UHFFFAOYSA-N	0	0	458.543	5.402	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl	ZINC000008831866	554724247	/nfs/dbraw/zinc/72/42/47/554724247.db2.gz	LJCSLSDSRCQKDD-UXBLZVDNSA-N	0	0	453.285	6.097	40	5		JKBBRN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000008832072	554725089	/nfs/dbraw/zinc/72/50/89/554725089.db2.gz	JFEQPQHQGNHSAO-UHFFFAOYSA-N	0	0	460.298	6.537	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1	ZINC000008832112	554725233	/nfs/dbraw/zinc/72/52/33/554725233.db2.gz	MQIVXVHOLHYBIJ-UKTHLTGXSA-N	0	0	469.884	6.862	40	5		JKBBRN
Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-]	ZINC000008832117	554725277	/nfs/dbraw/zinc/72/52/77/554725277.db2.gz	RNTSYVGUQXSNIK-UHFFFAOYSA-N	0	0	457.873	6.770	40	5		JKBBRN
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1	ZINC000008832439	554726727	/nfs/dbraw/zinc/72/67/27/554726727.db2.gz	VUZIFDJMVTZAQT-CYBMUJFWSA-N	0	0	467.547	5.419	40	5		JKBBRN
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1	ZINC000008832457	554726774	/nfs/dbraw/zinc/72/67/74/554726774.db2.gz	CGHUDNUOGKCDQB-CQSZACIVSA-N	0	0	467.547	5.419	40	5		JKBBRN
COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000008833223	554730417	/nfs/dbraw/zinc/73/04/17/554730417.db2.gz	GVCPTJJEWIWBEQ-UHFFFAOYSA-N	0	0	494.754	5.299	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000008833307	554730566	/nfs/dbraw/zinc/73/05/66/554730566.db2.gz	BSHHSZSDHIODHW-ZZXKWVIFSA-N	0	0	480.304	5.827	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000008833305	554730568	/nfs/dbraw/zinc/73/05/68/554730568.db2.gz	QARKGTNPABHHBH-QPJJXVBHSA-N	0	0	492.340	5.697	40	5		JKBBRN
COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1[N+](=O)[O-]	ZINC000008835263	554733980	/nfs/dbraw/zinc/73/39/80/554733980.db2.gz	IRBKUJKSZPIVCX-UHFFFAOYSA-N	0	0	478.555	5.315	40	5		JKBBRN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000008835326	554734197	/nfs/dbraw/zinc/73/41/97/554734197.db2.gz	LHEUVSASPHCBSD-UHFFFAOYSA-N	0	0	490.541	5.662	40	5		JKBBRN
CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC	ZINC000008835622	554735018	/nfs/dbraw/zinc/73/50/18/554735018.db2.gz	QCJSWJYQDJRJCF-UHFFFAOYSA-N	0	0	496.545	5.119	40	5		JKBBRN
COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000008836552	554736628	/nfs/dbraw/zinc/73/66/28/554736628.db2.gz	VNLGKTVCIIXHRS-NGSHPTGOSA-N	0	0	460.917	5.245	40	5		JKBBRN
CN(CCOC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000008857462	554754000	/nfs/dbraw/zinc/75/40/00/554754000.db2.gz	KOXXRXPDQKIWQZ-UHFFFAOYSA-N	0	0	458.436	5.425	40	5		JKBBRN
Cc1c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cccc1[N+](=O)[O-]	ZINC000008893125	554781649	/nfs/dbraw/zinc/78/16/49/554781649.db2.gz	CRZZWTBNMVZUDM-UHFFFAOYSA-N	0	0	482.974	5.960	40	5		JKBBRN
O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(OCc2ccccc2)cc1	ZINC000008894088	554783174	/nfs/dbraw/zinc/78/31/74/554783174.db2.gz	MPEFEULZYKRLIZ-UHFFFAOYSA-N	0	0	490.566	5.424	40	5		JKBBRN
O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000008898689	554789430	/nfs/dbraw/zinc/78/94/30/554789430.db2.gz	DYDYEDHJWHFEGA-UHFFFAOYSA-N	0	0	490.741	5.233	40	5		JKBBRN
O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000008898871	554789528	/nfs/dbraw/zinc/78/95/28/554789528.db2.gz	SDSUMZJXOJCTHA-UHFFFAOYSA-N	0	0	494.960	5.614	40	5		JKBBRN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1	ZINC000008898898	554789549	/nfs/dbraw/zinc/78/95/49/554789549.db2.gz	FVMGXBIHDVLLTK-UHFFFAOYSA-N	0	0	474.325	6.196	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl	ZINC000008899169	554790004	/nfs/dbraw/zinc/79/00/04/554790004.db2.gz	CTISLPPLXPTZDZ-KRXBUXKQSA-N	0	0	488.714	7.015	40	5		JKBBRN
CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000008899434	554790550	/nfs/dbraw/zinc/79/05/50/554790550.db2.gz	WZBYFXBKOFSYKT-UHFFFAOYSA-N	0	0	486.528	5.615	40	5		JKBBRN
COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl	ZINC000008900895	554793725	/nfs/dbraw/zinc/79/37/25/554793725.db2.gz	NIHSONONLLQXQV-UHFFFAOYSA-N	0	0	494.935	5.362	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000008900947	554793743	/nfs/dbraw/zinc/79/37/43/554793743.db2.gz	ZKVQWSWWGUUQIO-UHFFFAOYSA-N	0	0	498.539	6.144	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000008900936	554793786	/nfs/dbraw/zinc/79/37/86/554793786.db2.gz	OXQUWKRMPCZUSV-UHFFFAOYSA-N	0	0	481.464	6.414	40	5		JKBBRN
CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1	ZINC000008901720	554795219	/nfs/dbraw/zinc/79/52/19/554795219.db2.gz	QLOKALMEQMKMNS-UHFFFAOYSA-N	0	0	496.951	5.209	40	5		JKBBRN
CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000008901737	554795238	/nfs/dbraw/zinc/79/52/38/554795238.db2.gz	BPIHJJDAUVLGGG-WEVVVXLNSA-N	0	0	491.375	5.002	40	5		JKBBRN
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000008901825	554795469	/nfs/dbraw/zinc/79/54/69/554795469.db2.gz	JADVTEXLHPCFLJ-UHFFFAOYSA-N	0	0	499.354	5.116	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000008902511	554796282	/nfs/dbraw/zinc/79/62/82/554796282.db2.gz	USKOAWCXILCRBF-RMKNXTFCSA-N	0	0	488.327	5.650	40	5		JKBBRN
O=C(Nc1nc2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2s1)c1ccco1	ZINC000008902752	554796502	/nfs/dbraw/zinc/79/65/02/554796502.db2.gz	GYNSDYFHZRRRBP-UHFFFAOYSA-N	0	0	491.529	5.292	40	5		JKBBRN
CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1	ZINC000008903229	554797227	/nfs/dbraw/zinc/79/72/27/554797227.db2.gz	BAWDZWAQLZZYOD-WEVVVXLNSA-N	0	0	459.911	5.467	40	5		JKBBRN
CC(C)OC(=O)c1ccc2nc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)sc2c1	ZINC000008903664	554797721	/nfs/dbraw/zinc/79/77/21/554797721.db2.gz	TZBVWIUSRITOSQ-UHFFFAOYSA-N	0	0	475.935	5.890	40	5		JKBBRN
O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)Nc1ccc([N+](=O)[O-])cc1	ZINC000008926553	554823532	/nfs/dbraw/zinc/82/35/32/554823532.db2.gz	JCTDSQRZJZMCSH-UHFFFAOYSA-N	0	0	450.907	5.589	40	5		JKBBRN
C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N1[C@H](C)CCC[C@H]1C	ZINC000008965775	554841045	/nfs/dbraw/zinc/84/10/45/554841045.db2.gz	FCUDTFSZOAMCDU-KZNAEPCWSA-N	0	0	465.579	5.113	40	5		JKBBRN
CCOc1cc(C=C2SC(=S)NC2=O)cc([N+](=O)[O-])c1OCCCOc1cccc(C)c1	ZINC000008993770	554854085	/nfs/dbraw/zinc/85/40/85/554854085.db2.gz	FYDHAQLAVLWLNE-UYRXBGFRSA-N	0	0	474.560	5.479	40	5		JKBBRN
CN(C)c1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000009008995	554863030	/nfs/dbraw/zinc/86/30/30/554863030.db2.gz	WGCKGYUFBBLHEK-CQJMVLFOSA-N	0	0	473.960	5.302	40	5		JKBBRN
Cc1sc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n(-c3ccccc3)c(=O)c2c1C	ZINC000009010512	554863925	/nfs/dbraw/zinc/86/39/25/554863925.db2.gz	LQAXVLBWFZUAAT-UHFFFAOYSA-N	0	0	480.571	5.011	40	5		JKBBRN
O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)Nc1ccccc1[N+](=O)[O-]	ZINC000009052871	554872960	/nfs/dbraw/zinc/87/29/60/554872960.db2.gz	FFIDQFLEGTULHS-UHFFFAOYSA-N	0	0	451.552	5.013	40	5		JKBBRN
Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000009056736	554875467	/nfs/dbraw/zinc/87/54/67/554875467.db2.gz	IEFQCZCUBROMGX-UHFFFAOYSA-N	0	0	494.960	5.932	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	ZINC000009062463	554880232	/nfs/dbraw/zinc/88/02/32/554880232.db2.gz	MEAHZZJGFGOAEP-UHFFFAOYSA-N	0	0	479.905	5.271	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Cl)c1	ZINC000009062485	554880262	/nfs/dbraw/zinc/88/02/62/554880262.db2.gz	CPVVIJDDLXUAPK-UHFFFAOYSA-N	0	0	479.905	5.271	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1C	ZINC000009064585	554882688	/nfs/dbraw/zinc/88/26/88/554882688.db2.gz	DZBCTCSKMZPWCH-UHFFFAOYSA-N	0	0	458.337	5.254	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(I)cc1	ZINC000009140121	554934823	/nfs/dbraw/zinc/93/48/23/554934823.db2.gz	GSLFJSONRQOBEK-ZRDIBKRKSA-N	0	0	460.227	5.111	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000009232573	555004785	/nfs/dbraw/zinc/00/47/85/555004785.db2.gz	GYRMNZPOWQKWLV-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc2ccccc2c1	ZINC000009233165	555005706	/nfs/dbraw/zinc/00/57/06/555005706.db2.gz	SZANDLZXIGUWQM-WGOQTCKBSA-N	0	0	496.544	6.564	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1	ZINC000009570490	555368293	/nfs/dbraw/zinc/36/82/93/555368293.db2.gz	LIJNWKADAGRHKJ-UHFFFAOYSA-N	0	0	493.976	5.459	40	5		JKBBRN
O=C(CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc(Cl)cc1Cl	ZINC000013371472	555392320	/nfs/dbraw/zinc/39/23/20/555392320.db2.gz	KMWWMFJUEGCBCQ-UHFFFAOYSA-N	0	0	492.746	5.836	40	5		JKBBRN
O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000013371650	555392407	/nfs/dbraw/zinc/39/24/07/555392407.db2.gz	BSSFRHIXEUIVKY-UHFFFAOYSA-N	0	0	459.849	5.494	40	5		JKBBRN
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000013371475	555392432	/nfs/dbraw/zinc/39/24/32/555392432.db2.gz	LWTPGKXBXIGFAR-UHFFFAOYSA-N	0	0	456.252	5.113	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000013388572	555394155	/nfs/dbraw/zinc/39/41/55/555394155.db2.gz	YCIBMGLTSDUOMR-UHFFFAOYSA-N	0	0	487.921	5.218	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013424280	555398475	/nfs/dbraw/zinc/39/84/75/555398475.db2.gz	SYJVAXOZSOSODF-UHFFFAOYSA-N	0	0	481.530	5.181	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013424289	555398534	/nfs/dbraw/zinc/39/85/34/555398534.db2.gz	WANCKIHAYBGMJY-UHFFFAOYSA-N	0	0	487.921	5.218	40	5		JKBBRN
O=c1c2cc(Cl)ccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1-c1c(Cl)cccc1Cl	ZINC000013476288	555402874	/nfs/dbraw/zinc/40/28/74/555402874.db2.gz	DASOUXDTGUOCLD-WDZFZDKYSA-N	0	0	472.715	6.425	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)Nc3ccc(Cl)cc3)c2C)n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013500036	555435655	/nfs/dbraw/zinc/43/56/55/555435655.db2.gz	QUCDCPNFRRKTLE-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)c3cccc(Cl)c3)c2C)n1Cc1cccc([N+](=O)[O-])c1	ZINC000013500043	555436016	/nfs/dbraw/zinc/43/60/16/555436016.db2.gz	UCONCYDNCWPJNG-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000013509763	555481792	/nfs/dbraw/zinc/48/17/92/555481792.db2.gz	OIRZSXQWNLWZTN-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013509784	555481795	/nfs/dbraw/zinc/48/17/95/555481795.db2.gz	BLKLETCJKQWZMZ-UHFFFAOYSA-N	0	0	472.549	5.361	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)c(Cl)c2)cc1	ZINC000019856656	555516901	/nfs/dbraw/zinc/51/69/01/555516901.db2.gz	BMJGXZSOKRDYGT-UHFFFAOYSA-N	0	0	487.965	5.007	40	5		JKBBRN
Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	ZINC000019856771	555517414	/nfs/dbraw/zinc/51/74/14/555517414.db2.gz	WUKUHLBSKMHCOH-UHFFFAOYSA-N	0	0	487.965	5.007	40	5		JKBBRN
O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(I)cc2)c([N+](=O)[O-])c1	ZINC000013602157	555530357	/nfs/dbraw/zinc/53/03/57/555530357.db2.gz	RWFSRHHFKYYKHL-UHFFFAOYSA-N	0	0	490.209	5.131	40	5		JKBBRN
O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Br	ZINC000019894543	555533005	/nfs/dbraw/zinc/53/30/05/555533005.db2.gz	DPEWOIXBUXBDTK-UHFFFAOYSA-N	0	0	480.343	6.400	40	5		JKBBRN
CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1Cl	ZINC000019928275	555543541	/nfs/dbraw/zinc/54/35/41/555543541.db2.gz	XISBPSVVRBVOGB-UHFFFAOYSA-N	0	0	486.768	5.564	40	5		JKBBRN
O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000019929098	555545338	/nfs/dbraw/zinc/54/53/38/555545338.db2.gz	NQJPCUJTJMSKPR-UHFFFAOYSA-N	0	0	489.724	5.248	40	5		JKBBRN
COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)n[nH]1	ZINC000019929196	555545775	/nfs/dbraw/zinc/54/57/75/555545775.db2.gz	RHEJSQOQOWCOAP-UHFFFAOYSA-N	0	0	488.740	5.080	40	5		JKBBRN
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1Cl	ZINC000009848753	555550888	/nfs/dbraw/zinc/55/08/88/555550888.db2.gz	IIQZDVQGPUFMDV-UHFFFAOYSA-N	0	0	486.768	5.564	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)nc21	ZINC000010010620	555592973	/nfs/dbraw/zinc/59/29/73/555592973.db2.gz	JIYHVLGHUAMNCN-VQHVLOKHSA-N	0	0	455.879	5.778	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)nc21	ZINC000010010626	555592986	/nfs/dbraw/zinc/59/29/86/555592986.db2.gz	UKUHWTJYASBHOK-SOFGYWHQSA-N	0	0	490.324	6.432	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)nc21	ZINC000010010623	555593046	/nfs/dbraw/zinc/59/30/46/555593046.db2.gz	LUKAOGOJWVEWMO-QPJJXVBHSA-N	0	0	490.324	6.432	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)nc21	ZINC000010010627	555593062	/nfs/dbraw/zinc/59/30/62/555593062.db2.gz	BRBOHYVLUAJJCU-HWKANZROSA-N	0	0	490.324	6.432	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc4c(Br)cccc34)nc21	ZINC000010010604	555593111	/nfs/dbraw/zinc/59/31/11/555593111.db2.gz	WJTKBKDBDSNQOA-UHFFFAOYSA-N	0	0	458.293	5.381	40	5		JKBBRN
Cc1ccc(-n2c(O)c3c(c2O)[C@H](c2c4ccccc4cc4ccccc42)N(c2ccccc2)O3)cc1	ZINC000013759321	555612159	/nfs/dbraw/zinc/61/21/59/555612159.db2.gz	JPCDTXWJEMQXSW-DTXPUJKBSA-N	0	0	484.555	6.353	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)oc2c(Br)c1	ZINC000010119784	555631223	/nfs/dbraw/zinc/63/12/23/555631223.db2.gz	YEZIEUCSPSPKMT-IZZDOVSWSA-N	0	0	492.329	6.380	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3ccc4oc(Cc5ccccc5)nc4c3)o2)c([N+](=O)[O-])c1	ZINC000010120111	555631937	/nfs/dbraw/zinc/63/19/37/555631937.db2.gz	HROAKHPLMVPVIL-UHFFFAOYSA-N	0	0	469.453	5.848	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(Cc5ccccc5)nc4c3)o2)c([N+](=O)[O-])c1	ZINC000010120110	555631994	/nfs/dbraw/zinc/63/19/94/555631994.db2.gz	OHJUISPBWFPXCH-UHFFFAOYSA-N	0	0	453.454	6.148	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(Cc3ccccc3)nc2c1	ZINC000010120094	555632013	/nfs/dbraw/zinc/63/20/13/555632013.db2.gz	PBWBTQYICYTBAQ-NTCAYCPXSA-N	0	0	465.465	6.239	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nc5cc(C)c(C)cc5o4)cc3)o2)c([N+](=O)[O-])c1	ZINC000010120423	555633089	/nfs/dbraw/zinc/63/30/89/555633089.db2.gz	ABYSIDFICVZXLX-UHFFFAOYSA-N	0	0	497.507	6.218	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C(Cl)(c1ccccc1)c1ccccc1	ZINC000010152073	555637243	/nfs/dbraw/zinc/63/72/43/555637243.db2.gz	GXVKODXNUZDOBQ-UHFFFAOYSA-N	0	0	470.912	5.947	40	5		JKBBRN
C[C@@]1(c2ccccc2)CC(c2ccccc2)=Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000013896869	555644315	/nfs/dbraw/zinc/64/43/15/555644315.db2.gz	XTVFVZDEWCQZJA-LJAQVGFWSA-N	0	0	461.521	6.682	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)cc2[N+](=O)[O-])CC1	ZINC000020142654	555663603	/nfs/dbraw/zinc/66/36/03/555663603.db2.gz	UEBZXDBDPFQHPX-UHFFFAOYSA-N	0	0	469.925	5.489	40	5		JKBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000020142616	555663612	/nfs/dbraw/zinc/66/36/12/555663612.db2.gz	WGODLNNCTWRWJG-UHFFFAOYSA-N	0	0	455.898	5.243	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)c([N+](=O)[O-])c1	ZINC000020151017	555667983	/nfs/dbraw/zinc/66/79/83/555667983.db2.gz	CKWGNMUXECUQPX-KPKJPENVSA-N	0	0	458.470	5.876	40	5		JKBBRN
CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000010338468	555692925	/nfs/dbraw/zinc/69/29/25/555692925.db2.gz	AOOGQKFXBAGHAB-UHFFFAOYSA-N	0	0	494.356	5.120	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(CNC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)cc3)oc2c1	ZINC000010372895	555700509	/nfs/dbraw/zinc/70/05/09/555700509.db2.gz	KMRZVRFJSWZRRK-UHFFFAOYSA-N	0	0	455.514	5.840	40	5		JKBBRN
Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(-c2nc3ccccc3o2)c1O	ZINC000010372883	555700544	/nfs/dbraw/zinc/70/05/44/555700544.db2.gz	WIOVTJDHBWRPSB-UHFFFAOYSA-N	0	0	457.486	5.868	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)ccc3o2)cc1	ZINC000010372891	555700603	/nfs/dbraw/zinc/70/06/03/555700603.db2.gz	AUCRDJBZBFCLGU-UHFFFAOYSA-N	0	0	457.486	5.862	40	5		JKBBRN
COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000014152898	555708798	/nfs/dbraw/zinc/70/87/98/555708798.db2.gz	MFYSYWMVSDHRIK-UHFFFAOYSA-N	0	0	478.452	5.118	40	5		JKBBRN
Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1	ZINC000014269450	555759197	/nfs/dbraw/zinc/75/91/97/555759197.db2.gz	NHWHYIWRPDZWQV-UHFFFAOYSA-N	0	0	450.303	5.597	40	5		JKBBRN
Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-]	ZINC000014269452	555759227	/nfs/dbraw/zinc/75/92/27/555759227.db2.gz	DBPCUZXJMPTUPN-UHFFFAOYSA-N	0	0	450.303	5.597	40	5		JKBBRN
O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014269567	555759411	/nfs/dbraw/zinc/75/94/11/555759411.db2.gz	IPMDVRQBTUSJOC-UHFFFAOYSA-N	0	0	453.351	5.019	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014269568	555759462	/nfs/dbraw/zinc/75/94/62/555759462.db2.gz	OSKNFPMQIUNDFE-UHFFFAOYSA-N	0	0	453.351	5.019	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000014269970	555760660	/nfs/dbraw/zinc/76/06/60/555760660.db2.gz	MOYUWCVKLGPFNY-UHFFFAOYSA-N	0	0	466.302	5.297	40	5		JKBBRN
Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cccc1[N+](=O)[O-]	ZINC000014269975	555760904	/nfs/dbraw/zinc/76/09/04/555760904.db2.gz	UCCKWWIKUQIRMB-UHFFFAOYSA-N	0	0	450.303	5.597	40	5		JKBBRN
O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014270769	555763653	/nfs/dbraw/zinc/76/36/53/555763653.db2.gz	SLTZIMKMOQIZAF-UHFFFAOYSA-N	0	0	458.908	5.245	40	5		JKBBRN
Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc21	ZINC000014270823	555763869	/nfs/dbraw/zinc/76/38/69/555763869.db2.gz	LIQKGBMJXKFYFB-UHFFFAOYSA-N	0	0	452.517	5.208	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1	ZINC000014271075	555764932	/nfs/dbraw/zinc/76/49/32/555764932.db2.gz	SGRNKFPHTZKFTO-UHFFFAOYSA-N	0	0	455.923	5.262	40	5		JKBBRN
CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1	ZINC000014271120	555764942	/nfs/dbraw/zinc/76/49/42/555764942.db2.gz	ZNRBWTAXANIBCU-UHFFFAOYSA-N	0	0	452.536	5.136	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccccc2)cc1	ZINC000011196735	555765964	/nfs/dbraw/zinc/76/59/64/555765964.db2.gz	KQNIASDIJALPJM-UHFFFAOYSA-N	0	0	479.949	5.535	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000014271914	555768270	/nfs/dbraw/zinc/76/82/70/555768270.db2.gz	FZVQDXMOUSKFLJ-SOFGYWHQSA-N	0	0	472.328	5.524	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1	ZINC000014272050	555768505	/nfs/dbraw/zinc/76/85/05/555768505.db2.gz	JIRKFFTYWNCWEH-CMDGGOBGSA-N	0	0	470.337	6.830	40	5		JKBBRN
O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014272123	555768833	/nfs/dbraw/zinc/76/88/33/555768833.db2.gz	YYHICDIHFLNQTE-UHFFFAOYSA-N	0	0	462.676	6.616	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c1	ZINC000014272213	555769083	/nfs/dbraw/zinc/76/90/83/555769083.db2.gz	LIWQEEGARWAJPF-RUDMXATFSA-N	0	0	468.296	6.670	40	5		JKBBRN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000014272313	555769439	/nfs/dbraw/zinc/76/94/39/555769439.db2.gz	OBVJTFXHUWZKRG-UHFFFAOYSA-N	0	0	465.893	6.441	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1	ZINC000014272372	555769639	/nfs/dbraw/zinc/76/96/39/555769639.db2.gz	NSOVLDGUIIINRK-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000014272970	555771601	/nfs/dbraw/zinc/77/16/01/555771601.db2.gz	RHASNNKPWUOPPG-VOTSOKGWSA-N	0	0	470.117	5.089	40	5		JKBBRN
COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl	ZINC000014273040	555771951	/nfs/dbraw/zinc/77/19/51/555771951.db2.gz	TVKUGBXLWKSRCI-FMIVXFBMSA-N	0	0	451.866	5.161	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000014274980	555778934	/nfs/dbraw/zinc/77/89/34/555778934.db2.gz	HLVXNFJTHNABOC-FNORWQNLSA-N	0	0	476.341	5.996	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1C	ZINC000014274978	555778966	/nfs/dbraw/zinc/77/89/66/555778966.db2.gz	JJVUATGZFUGKNT-VMPITWQZSA-N	0	0	490.368	6.305	40	5		JKBBRN
Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3O)oc2c(C)c1	ZINC000014275055	555779468	/nfs/dbraw/zinc/77/94/68/555779468.db2.gz	LPUXVTZLZQGHEX-UHFFFAOYSA-N	0	0	476.514	5.161	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1	ZINC000020353316	555781125	/nfs/dbraw/zinc/78/11/25/555781125.db2.gz	OEDOZVFHACPZGA-OAHLLOKOSA-N	0	0	488.569	6.352	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1	ZINC000020353310	555781190	/nfs/dbraw/zinc/78/11/90/555781190.db2.gz	PLUCLYQXDZMVJF-HNNXBMFYSA-N	0	0	474.542	6.043	40	5		JKBBRN
O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014277513	555786087	/nfs/dbraw/zinc/78/60/87/555786087.db2.gz	QQDPWKKAKDIVHN-UHFFFAOYSA-N	0	0	494.960	5.614	40	5		JKBBRN
O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000014277530	555786222	/nfs/dbraw/zinc/78/62/22/555786222.db2.gz	SQHDJGVVOSUDOY-UHFFFAOYSA-N	0	0	478.744	7.084	40	5		JKBBRN
O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014277668	555786654	/nfs/dbraw/zinc/78/66/54/555786654.db2.gz	AWNHVIRSPLZCSH-UHFFFAOYSA-N	0	0	494.960	5.614	40	5		JKBBRN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014278047	555787434	/nfs/dbraw/zinc/78/74/34/555787434.db2.gz	DPUBCTJKCPISIQ-VZUCSPMQSA-N	0	0	491.931	6.840	40	5		JKBBRN
Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3C)oc2c(C)c1	ZINC000014278076	555787717	/nfs/dbraw/zinc/78/77/17/555787717.db2.gz	DVQSWNNBLRRECE-UHFFFAOYSA-N	0	0	486.528	5.417	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000014278166	555788002	/nfs/dbraw/zinc/78/80/02/555788002.db2.gz	JMLAAGRHBMOGNI-RMKNXTFCSA-N	0	0	486.336	6.937	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1	ZINC000014278352	555788282	/nfs/dbraw/zinc/78/82/82/555788282.db2.gz	JFPZBPHRFZLOOP-UHFFFAOYSA-N	0	0	476.920	6.217	40	5		JKBBRN
O=C(Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014278444	555788620	/nfs/dbraw/zinc/78/86/20/555788620.db2.gz	TWUSORFUBPQGHR-UHFFFAOYSA-N	0	0	478.512	5.334	40	5		JKBBRN
COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O	ZINC000014278998	555789949	/nfs/dbraw/zinc/78/99/49/555789949.db2.gz	FJLUDYPHGHNBKJ-YRNVUSSQSA-N	0	0	476.872	5.682	40	5		JKBBRN
CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1C	ZINC000014405335	555808029	/nfs/dbraw/zinc/80/80/29/555808029.db2.gz	UYHBRQYKUZOHCR-NTEUORMPSA-N	0	0	461.522	5.112	40	5		JKBBRN
Cc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000014406314	555808209	/nfs/dbraw/zinc/80/82/09/555808209.db2.gz	PGINLMWMTCCLHB-UHFFFAOYSA-N	0	0	463.946	6.908	40	5		JKBBRN
Cc1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	ZINC000014412222	555811423	/nfs/dbraw/zinc/81/14/23/555811423.db2.gz	KANVCNVKURLJSD-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
Cc1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	ZINC000014412480	555811665	/nfs/dbraw/zinc/81/16/65/555811665.db2.gz	QQYACLQIRDRBAX-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
COc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c1	ZINC000021579261	555851935	/nfs/dbraw/zinc/85/19/35/555851935.db2.gz	WBYYNPKXMSZENN-UHFFFAOYSA-N	0	0	458.474	5.264	40	5		JKBBRN
Cc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c(C)cc1I	ZINC000021595418	555853276	/nfs/dbraw/zinc/85/32/76/555853276.db2.gz	DEMMXIFGIGSSSC-UHFFFAOYSA-N	0	0	486.718	5.937	40	5		JKBBRN
O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000021595734	555853588	/nfs/dbraw/zinc/85/35/88/555853588.db2.gz	KERUOQOTOGCIGB-UHFFFAOYSA-N	0	0	485.308	6.572	40	5		JKBBRN
Cc1ccc2oc(-c3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)nc2c1	ZINC000021595932	555854314	/nfs/dbraw/zinc/85/43/14/555854314.db2.gz	BQVMTGTXMPBSJM-UKTHLTGXSA-N	0	0	499.910	7.277	40	5		JKBBRN
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000021596133	555854516	/nfs/dbraw/zinc/85/45/16/555854516.db2.gz	KPKFCJJCEHBGGR-ACCUITESSA-N	0	0	466.453	6.018	40	5		JKBBRN
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34	ZINC000022066171	555869053	/nfs/dbraw/zinc/86/90/53/555869053.db2.gz	OTXWSIGCMVMENA-MHZLTWQESA-N	0	0	463.577	6.197	40	5	in-vitro	JKBBRN
COc1cc(C(=O)Nc2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000015304258	555894358	/nfs/dbraw/zinc/89/43/58/555894358.db2.gz	JSLGXUQSWIUMDJ-UHFFFAOYSA-N	0	0	466.799	6.320	40	5		JKBBRN
Cc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)cc1	ZINC000022257331	555904906	/nfs/dbraw/zinc/90/49/06/555904906.db2.gz	RIHXBJLAJZHIDD-UHFFFAOYSA-N	0	0	464.522	5.002	40	5		JKBBRN
CC[C@H](C)N(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1	ZINC000022257625	555905287	/nfs/dbraw/zinc/90/52/87/555905287.db2.gz	HDYWTWAHMQGQQL-AWEZNQCLSA-N	0	0	493.347	5.466	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1	ZINC000022565203	555935947	/nfs/dbraw/zinc/93/59/47/555935947.db2.gz	IAZZZRBNLRXGPP-UHFFFAOYSA-N	0	0	458.522	5.044	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1[N+](=O)[O-]	ZINC000022566933	555936158	/nfs/dbraw/zinc/93/61/58/555936158.db2.gz	BIFNRBCCSFKYMV-INIZCTEOSA-N	0	0	459.502	6.568	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000022567619	555936530	/nfs/dbraw/zinc/93/65/30/555936530.db2.gz	PIGIFWFOFBXLAA-RMKNXTFCSA-N	0	0	460.298	6.423	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1	ZINC000022567816	555936563	/nfs/dbraw/zinc/93/65/63/555936563.db2.gz	SLIICLJLMYQHIG-CQSZACIVSA-N	0	0	460.446	6.077	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1	ZINC000022567820	555936586	/nfs/dbraw/zinc/93/65/86/555936586.db2.gz	SLIICLJLMYQHIG-AWEZNQCLSA-N	0	0	460.446	6.077	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1	ZINC000022706250	555943486	/nfs/dbraw/zinc/94/34/86/555943486.db2.gz	BDYMTMMMCIJPAK-UXBLZVDNSA-N	0	0	470.337	6.830	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1	ZINC000022707866	555944256	/nfs/dbraw/zinc/94/42/56/555944256.db2.gz	ZUFSOVWFQRVRLR-JXMROGBWSA-N	0	0	471.922	5.352	40	5		JKBBRN
CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1	ZINC000022708170	555944783	/nfs/dbraw/zinc/94/47/83/555944783.db2.gz	FJQGMELYPHSCIS-UHFFFAOYSA-N	0	0	472.501	5.054	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000022709034	555945055	/nfs/dbraw/zinc/94/50/55/555945055.db2.gz	RAKLFOKQRQBGOH-UHFFFAOYSA-N	0	0	473.312	5.925	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000022714881	555947177	/nfs/dbraw/zinc/94/71/77/555947177.db2.gz	YPBAOPBHHDJISV-UHFFFAOYSA-N	0	0	478.555	5.315	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022715405	555947213	/nfs/dbraw/zinc/94/72/13/555947213.db2.gz	KOLGNJPKNUQIMB-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)cc1	ZINC000022744287	555950394	/nfs/dbraw/zinc/95/03/94/555950394.db2.gz	DVTUQKGSZQCJPR-UHFFFAOYSA-N	0	0	486.572	5.997	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000022745044	555950407	/nfs/dbraw/zinc/95/04/07/555950407.db2.gz	IOTKFNIILVKFAG-UHFFFAOYSA-N	0	0	487.339	6.234	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000022745040	555950413	/nfs/dbraw/zinc/95/04/13/555950413.db2.gz	KBVOSJJZPPZIDP-UHFFFAOYSA-N	0	0	487.339	6.234	40	5		JKBBRN
O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000022749595	555952012	/nfs/dbraw/zinc/95/20/12/555952012.db2.gz	XAFKTNGKYDNSHQ-UHFFFAOYSA-N	0	0	491.510	5.389	40	5		JKBBRN
Cc1ccc2nc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)oc2c1	ZINC000022751198	555952690	/nfs/dbraw/zinc/95/26/90/555952690.db2.gz	JFSXNKPZIGNPPP-UHFFFAOYSA-N	0	0	492.919	5.454	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1Cl	ZINC000022751201	555952727	/nfs/dbraw/zinc/95/27/27/555952727.db2.gz	JSFXNYUBWAUDSV-UHFFFAOYSA-N	0	0	492.919	5.454	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000022820053	555955017	/nfs/dbraw/zinc/95/50/17/555955017.db2.gz	AFSBZSSRKNCGSL-AWNIVKPZSA-N	0	0	499.350	6.325	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@H](C(C)(C)C)C3	ZINC000012469608	555982011	/nfs/dbraw/zinc/98/20/11/555982011.db2.gz	UHIPUGGRHKHVCI-AWEZNQCLSA-N	0	0	470.620	5.790	40	5		JKBBRN
CCOc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Br)cc1)=N2	ZINC000012485493	555987321	/nfs/dbraw/zinc/98/73/21/555987321.db2.gz	GSYHLUQAOAAPSU-UHFFFAOYSA-N	0	0	465.307	5.190	40	5		JKBBRN
COc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc(-c3ccccc3)nc12	ZINC000012486326	555988006	/nfs/dbraw/zinc/98/80/06/555988006.db2.gz	DTJAFFVHPLIONS-UHFFFAOYSA-N	0	0	460.515	5.253	40	5		JKBBRN
COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccccc32)c([N+](=O)[O-])c1	ZINC000012488014	555988362	/nfs/dbraw/zinc/98/83/62/555988362.db2.gz	VERMOYFHGNDLHY-UHFFFAOYSA-N	0	0	460.515	5.253	40	5		JKBBRN
C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C2	ZINC000012542484	556017723	/nfs/dbraw/zinc/01/77/23/556017723.db2.gz	YSITVHDEIGBBOV-SIBVEZHUSA-N	0	0	499.995	5.444	40	5		JKBBRN
O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000012844425	556117115	/nfs/dbraw/zinc/11/71/15/556117115.db2.gz	LJQXADZYRSERTJ-UHFFFAOYSA-N	0	0	458.805	5.048	40	5		JKBBRN
COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000016228429	556130421	/nfs/dbraw/zinc/13/04/21/556130421.db2.gz	IWZPYVWXMYTTMZ-OAQYLSRUSA-N	0	0	480.318	5.357	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CCCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C	ZINC000016268094	556131587	/nfs/dbraw/zinc/13/15/87/556131587.db2.gz	JZIADHQATXXOKK-UHFFFAOYSA-N	0	0	483.308	5.564	40	5		JKBBRN
Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016284340	556133075	/nfs/dbraw/zinc/13/30/75/556133075.db2.gz	MFVNTHSCFJNLHU-ZRDIBKRKSA-N	0	0	483.915	6.096	40	5		JKBBRN
O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Cl)c(Cl)c2)c1	ZINC000024522749	556133592	/nfs/dbraw/zinc/13/35/92/556133592.db2.gz	TXQHVQFFBXCWOX-PKNBQFBNSA-N	0	0	452.297	6.594	40	5		JKBBRN
Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)cc3)CC2=O)cc1	ZINC000016292920	556133880	/nfs/dbraw/zinc/13/38/80/556133880.db2.gz	USEDSWUCQARZAV-GOSISDBHSA-N	0	0	480.904	5.445	40	5		JKBBRN
Cc1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000016293542	556134369	/nfs/dbraw/zinc/13/43/69/556134369.db2.gz	XGAPATJRIJZGSQ-WFYKWJGLSA-N	0	0	479.496	6.686	40	5		JKBBRN
Cc1ccc(NC(=O)OCc2ccccc2[N+](=O)[O-])cc1NC(=O)OCc1ccccc1[N+](=O)[O-]	ZINC000016347556	556135991	/nfs/dbraw/zinc/13/59/91/556135991.db2.gz	GWGMGDHMJNFBEX-UHFFFAOYSA-N	0	0	480.433	5.309	40	5		JKBBRN
O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000016385902	556136942	/nfs/dbraw/zinc/13/69/42/556136942.db2.gz	JBKSREBKRTUPBM-FMQZQXMHSA-N	0	0	465.195	5.784	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1	ZINC000016399794	556137500	/nfs/dbraw/zinc/13/75/00/556137500.db2.gz	YBZIYIVYFDBKOP-UHFFFAOYSA-N	0	0	489.340	5.281	40	5		JKBBRN
O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000016399979	556137815	/nfs/dbraw/zinc/13/78/15/556137815.db2.gz	MAINKNPWMVWVPC-UHFFFAOYSA-N	0	0	458.908	5.245	40	5		JKBBRN
O=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000016430191	556138904	/nfs/dbraw/zinc/13/89/04/556138904.db2.gz	APFMRAAXCNFWNO-UHFFFAOYSA-N	0	0	486.436	5.272	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000016450622	556139798	/nfs/dbraw/zinc/13/97/98/556139798.db2.gz	AIUFDONWLLYTEG-UHFFFAOYSA-N	0	0	470.938	5.235	40	5		JKBBRN
O=C(c1ccccc1)c1cc2c(ccc3ccccc32)[o+]c1C=Cc1c(O)ccc2ccccc21	ZINC000016476975	556140030	/nfs/dbraw/zinc/14/00/30/556140030.db2.gz	YPZPMEPZKJQBBS-UHFFFAOYSA-O	0	0	453.517	8.127	40	5		JKBBRN
O=C(c1ccccc1)c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1	ZINC000016492276	556141250	/nfs/dbraw/zinc/14/12/50/556141250.db2.gz	IFZQRJBFSUWXDX-UHFFFAOYSA-N	0	0	478.529	7.299	40	5		JKBBRN
O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1-n1c(-c2ccccc2)nnc1-c1ccccc1	ZINC000016493533	556141459	/nfs/dbraw/zinc/14/14/59/556141459.db2.gz	AAKITKFZSFQJEK-UHFFFAOYSA-N	0	0	470.492	6.120	40	5		JKBBRN
O=C(Nc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000016526129	556142037	/nfs/dbraw/zinc/14/20/37/556142037.db2.gz	DDPYEIOARMYXJU-UHFFFAOYSA-N	0	0	475.460	7.069	40	5		JKBBRN
CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000016574970	556144729	/nfs/dbraw/zinc/14/47/29/556144729.db2.gz	GDSBFCSVJYJAFA-UHFFFAOYSA-N	0	0	462.458	5.021	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1	ZINC000016610760	556146672	/nfs/dbraw/zinc/14/66/72/556146672.db2.gz	PBTNOTZJXFKAIG-AWEZNQCLSA-N	0	0	460.446	6.077	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1	ZINC000016611077	556147252	/nfs/dbraw/zinc/14/72/52/556147252.db2.gz	PXSQVAFRSPWXDN-HNNXBMFYSA-N	0	0	488.569	6.352	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1	ZINC000016611224	556147819	/nfs/dbraw/zinc/14/78/19/556147819.db2.gz	VCENMERFLUTICS-OAHLLOKOSA-N	0	0	474.542	6.043	40	5		JKBBRN
CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000016637063	556148807	/nfs/dbraw/zinc/14/88/07/556148807.db2.gz	AHBQOSWBAOZAEF-WEVVVXLNSA-N	0	0	481.361	5.167	40	5		JKBBRN
CCCCOC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(OCC)cc3)n2)cc1	ZINC000016639053	556149349	/nfs/dbraw/zinc/14/93/49/556149349.db2.gz	OVBXWNNIJQVRTF-UHFFFAOYSA-N	0	0	465.510	5.536	40	5		JKBBRN
O=C(c1ccccc1Cl)N1N=C(c2ccccc2)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O	ZINC000016758421	556158510	/nfs/dbraw/zinc/15/85/10/556158510.db2.gz	PTAPYJSHRRHEDT-ZHZULCJRSA-N	0	0	463.902	5.367	40	5		JKBBRN
Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@@H](Sc2ccc([N+](=O)[O-])cc2)CS1	ZINC000016779176	556159081	/nfs/dbraw/zinc/15/90/81/556159081.db2.gz	UOQVQXFGBAILGX-AZUAARDMSA-N	0	0	481.624	5.839	40	5		JKBBRN
COc1ccc(OC)c(/C=C/c2cc(/C=C\c3cc(OC)ccc3OC)c([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000016926310	556180683	/nfs/dbraw/zinc/18/06/83/556180683.db2.gz	NCPLDOOQUOIPTK-CGXWXWIYSA-N	0	0	492.484	5.878	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc3ccccc23)cc1/C=C/c1cccc2ccccc12	ZINC000016926357	556180698	/nfs/dbraw/zinc/18/06/98/556180698.db2.gz	RGHATJSZJXJOTP-YTEMWHBBSA-N	0	0	472.500	8.150	40	5		JKBBRN
Cc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\C(=O)c2cccc([N+](=O)[O-])c2)c1C	ZINC000017784334	556266647	/nfs/dbraw/zinc/26/66/47/556266647.db2.gz	ATYYMJNNPFSSOV-IZHYLOQSSA-N	0	0	474.498	5.380	40	5		JKBBRN
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000017828945	556267962	/nfs/dbraw/zinc/26/79/62/556267962.db2.gz	IDVKQBVDVQJYBZ-UHFFFAOYSA-N	0	0	465.922	5.227	40	5		JKBBRN
COc1ccc2nc3sc4c(ncnc4SCC(=O)Nc4nc5ccccc5s4)c3cc2c1	ZINC000013086158	556285799	/nfs/dbraw/zinc/28/57/99/556285799.db2.gz	JRAILNBPIJTWPZ-UHFFFAOYSA-N	0	0	489.607	5.742	40	5		JKBBRN
Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)Nc4nc5ccccc5s4)c3cc2c1	ZINC000013086156	556285880	/nfs/dbraw/zinc/28/58/80/556285880.db2.gz	DFFNWRHSZKIZHR-UHFFFAOYSA-N	0	0	487.635	6.350	40	5		JKBBRN
CCOc1ccc([N+](=O)[O-])cc1C1N(Cc2ccc(OC)cc2)CCCN1Cc1ccc(OC)cc1	ZINC000019326425	556341811	/nfs/dbraw/zinc/34/18/11/556341811.db2.gz	PAOVYVQCDIVWGZ-UHFFFAOYSA-N	0	0	491.588	5.417	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c3)nc2c1	ZINC000032109329	556418698	/nfs/dbraw/zinc/41/86/98/556418698.db2.gz	PQPCAAHRFODZOL-UHFFFAOYSA-N	0	0	473.872	6.877	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1	ZINC000032109341	556419079	/nfs/dbraw/zinc/41/90/79/556419079.db2.gz	OBYXFQVHSMFXMM-UHFFFAOYSA-N	0	0	480.933	5.800	40	5		JKBBRN
CC(C)(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)cc1	ZINC000032109513	556419259	/nfs/dbraw/zinc/41/92/59/556419259.db2.gz	FDHVOUJGKDQMTK-UYRXBGFRSA-N	0	0	458.561	5.679	40	5		JKBBRN
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1	ZINC000032112030	556420798	/nfs/dbraw/zinc/42/07/98/556420798.db2.gz	WFRXLHWADQGZBF-UHFFFAOYSA-N	0	0	473.872	6.227	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1	ZINC000032115512	556422690	/nfs/dbraw/zinc/42/26/90/556422690.db2.gz	JXFDBNCKWHLLOK-QHHAFSJGSA-N	0	0	490.249	6.640	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000032115493	556422712	/nfs/dbraw/zinc/42/27/12/556422712.db2.gz	DUVBMVXKURRFTI-UHFFFAOYSA-N	0	0	464.211	6.240	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000032124716	556427703	/nfs/dbraw/zinc/42/77/03/556427703.db2.gz	GJWUJFABWZWPEO-UCQKPKSFSA-N	0	0	476.579	6.599	40	5		JKBBRN
O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl	ZINC000032124834	556427772	/nfs/dbraw/zinc/42/77/72/556427772.db2.gz	WOMSLWVQPVSPLT-MFOYZWKCSA-N	0	0	485.370	5.223	40	5		JKBBRN
COc1cc2sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc2cc1Cl	ZINC000032127146	556431694	/nfs/dbraw/zinc/43/16/94/556431694.db2.gz	OHIHFRKIGZANOY-UHFFFAOYSA-N	0	0	488.934	5.253	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000032204054	556433729	/nfs/dbraw/zinc/43/37/29/556433729.db2.gz	QDKKIGSOOAFHRG-UHFFFAOYSA-N	0	0	489.340	5.281	40	5		JKBBRN
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057312873	569596293	/nfs/dbraw/zinc/59/62/93/569596293.db2.gz	UHMHCKRBBSWYPD-UHFFFAOYSA-N	0	0	464.890	6.227	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)cc2[N+](=O)[O-])CC1	ZINC000057313108	569596457	/nfs/dbraw/zinc/59/64/57/569596457.db2.gz	DAPWPMKUCUROLK-UHFFFAOYSA-N	0	0	472.570	6.360	40	5		JKBBRN
CCN1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2Cl)CC1	ZINC000057313249	569596583	/nfs/dbraw/zinc/59/65/83/569596583.db2.gz	KNPSQTVTEOYFLC-UHFFFAOYSA-N	0	0	479.389	5.511	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000057313514	569596700	/nfs/dbraw/zinc/59/67/00/569596700.db2.gz	XFYLVIIKKTWUDZ-UHFFFAOYSA-N	0	0	470.529	6.200	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)c4cc5ccccc5o4)cc3)cc2[N+](=O)[O-])CC1	ZINC000057315789	569597218	/nfs/dbraw/zinc/59/72/18/569597218.db2.gz	YRGNSSOBXTYKRD-UHFFFAOYSA-N	0	0	498.539	6.082	40	5		JKBBRN
O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057315791	569597257	/nfs/dbraw/zinc/59/72/57/569597257.db2.gz	FWZHBKVCJZNTEA-UHFFFAOYSA-N	0	0	450.347	6.359	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3)oc2c1	ZINC000057315822	569597273	/nfs/dbraw/zinc/59/72/73/569597273.db2.gz	AVWAPHJWWVTTJK-UHFFFAOYSA-N	0	0	463.902	6.832	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)sc2c1	ZINC000057315996	569597374	/nfs/dbraw/zinc/59/73/74/569597374.db2.gz	IYNQDFTZOSGMSZ-UHFFFAOYSA-N	0	0	486.597	6.669	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C)c1I	ZINC000057316163	569597451	/nfs/dbraw/zinc/59/74/51/569597451.db2.gz	BYWCKOPWLOTAET-UHFFFAOYSA-N	0	0	462.243	5.329	40	5		JKBBRN
O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1	ZINC000057317325	569598590	/nfs/dbraw/zinc/59/85/90/569598590.db2.gz	YECMJLJDNJLIOE-UHFFFAOYSA-N	0	0	483.805	5.027	40	5		JKBBRN
Cc1nnc2sc(-c3cccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)nn12	ZINC000059294168	569602422	/nfs/dbraw/zinc/60/24/22/569602422.db2.gz	VRXVQRHSCIRHEZ-UHFFFAOYSA-N	0	0	470.923	5.190	40	5		JKBBRN
CCc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000059294357	569602535	/nfs/dbraw/zinc/60/25/35/569602535.db2.gz	XMQVAKFKDDTFGS-UHFFFAOYSA-N	0	0	484.556	6.454	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C(C)(C)C)C4)cc2[N+](=O)[O-])CC1	ZINC000059294461	569602601	/nfs/dbraw/zinc/60/26/01/569602601.db2.gz	LEUFSCIUFUYEKZ-QGZVFWFLSA-N	0	0	498.649	5.395	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3ccncc3)nc2c1	ZINC000059294632	569602650	/nfs/dbraw/zinc/60/26/50/569602650.db2.gz	YNSDGBBKAFRONW-JXMROGBWSA-N	0	0	452.426	5.710	40	5		JKBBRN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3cccc4ccccc43)sc2c1	ZINC000059449300	569603971	/nfs/dbraw/zinc/60/39/71/569603971.db2.gz	PIGOHRFMQDECPP-UHFFFAOYSA-N	0	0	497.557	6.451	40	5		JKBBRN
COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000059463641	569604295	/nfs/dbraw/zinc/60/42/95/569604295.db2.gz	STJLVMUPIPRLRZ-UHFFFAOYSA-N	0	0	459.527	6.263	40	5		JKBBRN
CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000059463608	569604297	/nfs/dbraw/zinc/60/42/97/569604297.db2.gz	HNHWJUNKLZXWNY-UHFFFAOYSA-N	0	0	487.581	7.125	40	5		JKBBRN
Cc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000059463635	569604336	/nfs/dbraw/zinc/60/43/36/569604336.db2.gz	RHKBWJBNPQXTCZ-UHFFFAOYSA-N	0	0	474.498	6.163	40	5		JKBBRN
O=C(CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)Nc1ccc([N+](=O)[O-])cc1	ZINC000059474824	569604496	/nfs/dbraw/zinc/60/44/96/569604496.db2.gz	YSWCLMFJMPPPBK-UHFFFAOYSA-N	0	0	498.973	5.841	40	5		JKBBRN
Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1	ZINC000059474797	569604552	/nfs/dbraw/zinc/60/45/52/569604552.db2.gz	YVOVQIIGPYXCJS-UHFFFAOYSA-N	0	0	478.555	5.496	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1	ZINC000059489714	569605937	/nfs/dbraw/zinc/60/59/37/569605937.db2.gz	NOTGIEUPWQCZHQ-UHFFFAOYSA-N	0	0	487.584	5.306	40	5		JKBBRN
O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccc(Cl)cc1	ZINC000059505865	569606348	/nfs/dbraw/zinc/60/63/48/569606348.db2.gz	MBBWRETWLRRIIR-UHFFFAOYSA-N	0	0	455.948	6.403	40	5		JKBBRN
COc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	ZINC000033537472	569627471	/nfs/dbraw/zinc/62/74/71/569627471.db2.gz	HSGBBAZUTQPNOY-UHFFFAOYSA-N	0	0	479.396	5.352	40	5		JKBBRN
CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	ZINC000033378580	569625291	/nfs/dbraw/zinc/62/52/91/569625291.db2.gz	PWVMXNJUBJMCHG-HJWRWDBZSA-N	0	0	493.741	6.455	40	5		JKBBRN
CCOc1c(Br)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1	ZINC000033724895	569632095	/nfs/dbraw/zinc/63/20/95/569632095.db2.gz	AGKAWXAZXWJSDU-UHFFFAOYSA-N	0	0	471.307	5.587	40	5		JKBBRN
O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000033794138	569635359	/nfs/dbraw/zinc/63/53/59/569635359.db2.gz	LERUDZKSMLZLHE-UHFFFAOYSA-N	0	0	486.509	5.234	40	5		JKBBRN
O=C1[C@@H](c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1	ZINC000033926913	569637699	/nfs/dbraw/zinc/63/76/99/569637699.db2.gz	GJIMZCRNDFWIFS-YVHASNINSA-N	0	0	493.519	6.025	40	5		JKBBRN
CC(=O)c1sc(=Nc2ccccc2)n(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C	ZINC000065090455	569660731	/nfs/dbraw/zinc/66/07/31/569660731.db2.gz	VVLNSKLYHZKENL-UHFFFAOYSA-O	0	0	465.477	5.329	40	5		JKBBRN
CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1[N+](=O)[O-]	ZINC000034858969	569667611	/nfs/dbraw/zinc/66/76/11/569667611.db2.gz	FGKMGHOJHWPQOV-YCEDGAFSSA-N	0	0	452.576	5.492	40	5		JKBBRN
O=C(c1cccc2c(Cl)cccc12)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	ZINC000034895898	569669502	/nfs/dbraw/zinc/66/95/02/569669502.db2.gz	UCWJDHHXSKBUPK-UHFFFAOYSA-N	0	0	478.980	5.354	40	5		JKBBRN
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1sc2cc(Cl)ccc2c1Cl	ZINC000034896507	569669595	/nfs/dbraw/zinc/66/95/95/569669595.db2.gz	KJXPAEBBSGEHFU-UHFFFAOYSA-N	0	0	460.751	5.897	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(Cc3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	ZINC000035167470	569677015	/nfs/dbraw/zinc/67/70/15/569677015.db2.gz	NOAHINWNMZVPDU-UHFFFAOYSA-N	0	0	474.563	7.396	40	5		JKBBRN
CC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12CCCCC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12C	ZINC000068568390	569691225	/nfs/dbraw/zinc/69/12/25/569691225.db2.gz	NHBVYEHJQNLUQX-UHFFFAOYSA-N	0	0	490.690	9.389	40	5		JKBBRN
COC(C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000035520087	569698703	/nfs/dbraw/zinc/69/87/03/569698703.db2.gz	HUKZTDQYXHSIQK-UHFFFAOYSA-N	0	0	466.493	5.355	40	5		JKBBRN
O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1	ZINC000072229335	569700653	/nfs/dbraw/zinc/70/06/53/569700653.db2.gz	QOZRLARHPHAZPR-UHFFFAOYSA-N	0	0	452.736	6.008	40	5		JKBBRN
CC1CCN(c2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229350	569700659	/nfs/dbraw/zinc/70/06/59/569700659.db2.gz	MHLCZWOFHJYZLH-UHFFFAOYSA-N	0	0	452.736	5.499	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1	ZINC000072229935	569700711	/nfs/dbraw/zinc/70/07/11/569700711.db2.gz	BRISWFRWXANROV-XMMPIXPASA-N	0	0	478.888	5.851	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000072229995	569700719	/nfs/dbraw/zinc/70/07/19/569700719.db2.gz	GZXKXHHTFBQBHN-QHCPKHFHSA-N	0	0	451.910	5.182	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000072229999	569700731	/nfs/dbraw/zinc/70/07/31/569700731.db2.gz	ZTQIMRHKENHXRS-RUZDIDTESA-N	0	0	479.964	5.819	40	5		JKBBRN
Cc1c2cc(O)ccc2n(Cc2ccc(OCC[N+]3([O-])CCCCCC3)cc2)c1-c1ccc(O)cc1	ZINC000077272253	569705296	/nfs/dbraw/zinc/70/52/96/569705296.db2.gz	CFBANWAZVCOMGU-UHFFFAOYSA-N	0	0	486.612	6.344	40	5	in-vitro	JKBBRN
O=c1[nH]c2ccccc2n1C1CC[N+]([O-])(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000077312480	569706029	/nfs/dbraw/zinc/70/60/29/569706029.db2.gz	SAVNBLOUWOJISO-UHFFFAOYSA-N	0	0	477.555	5.870	40	5	in-vitro	JKBBRN
Cc1ccc(-c2csc(-c3cc4cc(Cl)ccc4o/c3=N\Nc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000100135624	569753508	/nfs/dbraw/zinc/75/35/08/569753508.db2.gz	IGLMXTFRGQCLJA-OLFWJLLRSA-N	0	0	488.956	7.021	40	5		JKBBRN
CCCCc1ccc(NC2=C[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(CCCC)cc3)C2=O)cc1	ZINC000100144168	569753781	/nfs/dbraw/zinc/75/37/81/569753781.db2.gz	NELLOWWVGCNFIB-GDLZYMKVSA-N	0	0	483.612	7.364	40	5		JKBBRN
COc1cc(C=C2N[C@H](c3ccccc3)N(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2=O)ccc1O	ZINC000100297906	569756899	/nfs/dbraw/zinc/75/68/99/569756899.db2.gz	UJEPZFMTORBPDR-KRJVNCKSSA-N	0	0	486.311	5.292	40	5		JKBBRN
O=C1NC(=S)NC1=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	ZINC000100477707	569761933	/nfs/dbraw/zinc/76/19/33/569761933.db2.gz	VCPSRTCCPWFBLI-JCMHNJIXSA-N	0	0	466.522	5.065	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cc2ccccc2o1	ZINC000039772083	569811950	/nfs/dbraw/zinc/81/19/50/569811950.db2.gz	MZECYXNJPKDECZ-UHFFFAOYSA-N	0	0	485.481	5.364	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1cccc(Cl)c1	ZINC000039860600	569812190	/nfs/dbraw/zinc/81/21/90/569812190.db2.gz	XXYPRDRPUNFPOT-VCHYOVAHSA-N	0	0	461.282	6.403	40	5		JKBBRN
O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cccc2ccccc21	ZINC000102761718	569822318	/nfs/dbraw/zinc/82/23/18/569822318.db2.gz	DBBQJJJRVZFRHU-SDHSZQHLSA-N	0	0	499.910	5.453	40	5		JKBBRN
COc1ccc(Cn2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)cc1	ZINC000040398708	569825944	/nfs/dbraw/zinc/82/59/44/569825944.db2.gz	FQGJPJXNQYDZSQ-UHFFFAOYSA-N	0	0	478.335	5.064	40	5		JKBBRN
Cc1nc(NC(=O)C[C@@H]2CCCCO2)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000040556490	569830271	/nfs/dbraw/zinc/83/02/71/569830271.db2.gz	FBMINWNHVNKLLJ-HNNXBMFYSA-N	0	0	459.553	5.125	40	5		JKBBRN
COc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1	ZINC000106335895	569854009	/nfs/dbraw/zinc/85/40/09/569854009.db2.gz	CWQMVMLPBLERJC-UHFFFAOYSA-N	0	0	472.448	6.021	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1Cc1ccccc1	ZINC000106681241	569854470	/nfs/dbraw/zinc/85/44/70/569854470.db2.gz	DNAODWXCCLRTBJ-OYKKKHCWSA-N	0	0	469.522	5.834	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Cl	ZINC000106683828	569854538	/nfs/dbraw/zinc/85/45/38/569854538.db2.gz	OMVLQBJTFJKQHS-XKZIYDEJSA-N	0	0	480.929	6.064	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000106685759	569854613	/nfs/dbraw/zinc/85/46/13/569854613.db2.gz	QPSATUPEEXJRHK-GRSHGNNSSA-N	0	0	475.309	6.398	40	5		JKBBRN
COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-]	ZINC000106701842	569854787	/nfs/dbraw/zinc/85/47/87/569854787.db2.gz	VNBRYTSUXGYSOC-OYKKKHCWSA-N	0	0	490.537	5.727	40	5		JKBBRN
COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000106701845	569854794	/nfs/dbraw/zinc/85/47/94/569854794.db2.gz	LXNJGCBLKKAVRG-OYKKKHCWSA-N	0	0	490.537	5.727	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000106701918	569854827	/nfs/dbraw/zinc/85/48/27/569854827.db2.gz	NTIMEORXGWFJPC-UCQKPKSFSA-N	0	0	460.511	5.719	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1	ZINC000106708566	569854972	/nfs/dbraw/zinc/85/49/72/569854972.db2.gz	RLIPYDVOFNMZTF-QFEZKATASA-N	0	0	483.549	6.143	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106726814	569855199	/nfs/dbraw/zinc/85/51/99/569855199.db2.gz	RYFDPBSUCQGRDM-XKZIYDEJSA-N	0	0	491.481	5.319	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(C)C	ZINC000106729233	569855234	/nfs/dbraw/zinc/85/52/34/569855234.db2.gz	SVNWABYPHWILKL-MTJSOVHGSA-N	0	0	456.520	5.265	40	5		JKBBRN
O=C1S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106729019	569855238	/nfs/dbraw/zinc/85/52/38/569855238.db2.gz	ATMYAHBWXHMFLR-XYGWBWBKSA-N	0	0	499.548	5.865	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1	ZINC000106728527	569855245	/nfs/dbraw/zinc/85/52/45/569855245.db2.gz	WNQKFBHLBWZKKN-UNOMPAQXSA-N	0	0	452.513	5.884	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106728416	569855248	/nfs/dbraw/zinc/85/52/48/569855248.db2.gz	OGKBRKNRYAKWPT-WQRHYEAKSA-N	0	0	472.931	6.229	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000106734701	569855300	/nfs/dbraw/zinc/85/53/00/569855300.db2.gz	HOQIXGLEOIUSBG-JJFYIABZSA-N	0	0	498.919	6.203	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106739323	569855390	/nfs/dbraw/zinc/85/53/90/569855390.db2.gz	UTXWLKPFFVRCOR-QQXSKIMKSA-N	0	0	496.544	6.564	40	5		JKBBRN
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C	ZINC000107647655	569856865	/nfs/dbraw/zinc/85/68/65/569856865.db2.gz	CKLYRPQFSVGNSO-IBGZPJMESA-N	0	0	473.986	5.279	40	5		JKBBRN
O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000107898852	569857871	/nfs/dbraw/zinc/85/78/71/569857871.db2.gz	AYOSXXXUWZRMBJ-UHFFFAOYSA-N	0	0	469.828	5.654	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000111453918	569860953	/nfs/dbraw/zinc/86/09/53/569860953.db2.gz	JLQQEYBFZWATLP-MOSHPQCFSA-N	0	0	492.871	5.211	40	5		JKBBRN
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@@]4(Cl)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118924269	569863727	/nfs/dbraw/zinc/86/37/27/569863727.db2.gz	JQQAXXNZGKFEGG-ZEQHCUNVSA-N	0	0	468.122	7.085	40	5		JKBBRN
C[C@@]12CCC[C@H]1[C@@H]1C[C@@H]3O[C@@]34C[C@H](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@]4(C)[C@H]1CC2	ZINC000119090234	569864210	/nfs/dbraw/zinc/86/42/10/569864210.db2.gz	UHBQQROSQQYOOK-UBBYKTDRSA-N	0	0	484.549	5.593	40	5		JKBBRN
O=C(Nc1cccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1cccc([N+](=O)[O-])c1	ZINC000138524622	569865881	/nfs/dbraw/zinc/86/58/81/569865881.db2.gz	HRRDTPYGCKINRA-WKEDTZOBSA-N	0	0	491.503	5.296	40	5		JKBBRN
Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1	ZINC000138673631	569866154	/nfs/dbraw/zinc/86/61/54/569866154.db2.gz	HNYADDICHTXWIO-VUGDJXFHSA-N	0	0	480.611	5.884	40	5		JKBBRN
Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1	ZINC000138673751	569866173	/nfs/dbraw/zinc/86/61/73/569866173.db2.gz	HNYADDICHTXWIO-NNLUDWOUSA-N	0	0	480.611	5.884	40	5		JKBBRN
O=C(Nc1ccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000139074444	569866995	/nfs/dbraw/zinc/86/69/95/569866995.db2.gz	YPDYVWCGSRFDAD-ACKJMCFBSA-N	0	0	491.503	5.296	40	5		JKBBRN
O=C(Nc1ccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000139074661	569867012	/nfs/dbraw/zinc/86/70/12/569867012.db2.gz	YPDYVWCGSRFDAD-WKEDTZOBSA-N	0	0	491.503	5.296	40	5		JKBBRN
Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)cc2)cc1	ZINC000139142926	569867259	/nfs/dbraw/zinc/86/72/59/569867259.db2.gz	FQXPADSUPJDYGL-UHFFFAOYSA-N	0	0	467.481	6.200	40	5		JKBBRN
CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cccc([N+](=O)[O-])c1	ZINC000167232967	569868074	/nfs/dbraw/zinc/86/80/74/569868074.db2.gz	RHSINRFDJUIKHE-UHFFFAOYSA-N	0	0	489.582	5.795	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000205679404	569874068	/nfs/dbraw/zinc/87/40/68/569874068.db2.gz	BTHQDQLRHYPORE-YBFXNURJSA-N	0	0	474.416	6.110	40	5		JKBBRN
O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000206442187	569874665	/nfs/dbraw/zinc/87/46/65/569874665.db2.gz	DTJPUSWDMACPAG-LGUFXXKBSA-N	0	0	499.548	5.575	40	5		JKBBRN
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1	ZINC000210816793	569876106	/nfs/dbraw/zinc/87/61/06/569876106.db2.gz	LGOCATIRLAFULE-PCLIKHOPSA-N	0	0	482.561	6.067	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1	ZINC000214056760	569876299	/nfs/dbraw/zinc/87/62/99/569876299.db2.gz	PVRPEDDYJQIARS-CIAFOILYSA-N	0	0	477.454	5.532	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214160135	569876396	/nfs/dbraw/zinc/87/63/96/569876396.db2.gz	WRSSWASQCOKYOD-RGVLZGJSSA-N	0	0	454.891	6.053	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214151030	569876407	/nfs/dbraw/zinc/87/64/07/569876407.db2.gz	QMPJZWXJDQTOFF-RGVLZGJSSA-N	0	0	470.890	5.753	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214247223	569876514	/nfs/dbraw/zinc/87/65/14/569876514.db2.gz	IQWJCYDNBDWKOO-RGVLZGJSSA-N	0	0	454.435	5.239	40	5		JKBBRN
O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F	ZINC000214337436	569876545	/nfs/dbraw/zinc/87/65/45/569876545.db2.gz	YGNOBGKNFLJEQP-SRZZPIQSSA-N	0	0	495.444	5.671	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1	ZINC000214342781	569876557	/nfs/dbraw/zinc/87/65/57/569876557.db2.gz	MVVROZMDFHQTOF-RGVLZGJSSA-N	0	0	454.435	5.239	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000214370487	569876608	/nfs/dbraw/zinc/87/66/08/569876608.db2.gz	HCGGWHUQQWUQIY-YDZHTSKRSA-N	0	0	494.500	5.558	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1F	ZINC000214356731	569876611	/nfs/dbraw/zinc/87/66/11/569876611.db2.gz	IKUPCGXLHLOZPS-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc1[N+](=O)[O-]	ZINC000214398853	569876660	/nfs/dbraw/zinc/87/66/60/569876660.db2.gz	ISTVCDJZGFZYSM-KEBDBYFISA-N	0	0	489.336	6.707	40	5		JKBBRN
O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1Cl	ZINC000214396467	569876669	/nfs/dbraw/zinc/87/66/69/569876669.db2.gz	IEGIRZUSCYARRR-RGVLZGJSSA-N	0	0	488.352	5.988	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1	ZINC000214637938	569876831	/nfs/dbraw/zinc/87/68/31/569876831.db2.gz	MXQXJCWKINPWSN-OEAKJJBVSA-N	0	0	460.511	5.719	40	5		JKBBRN
O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000214848239	569877036	/nfs/dbraw/zinc/87/70/36/569877036.db2.gz	XRZOPYXHYMFNMA-RGVLZGJSSA-N	0	0	488.352	5.988	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214907300	569877073	/nfs/dbraw/zinc/87/70/73/569877073.db2.gz	VGMKQWRYAKNHKE-XQNSMLJCSA-N	0	0	476.510	5.289	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000215005660	569877102	/nfs/dbraw/zinc/87/71/02/569877102.db2.gz	YZPTZVSRILOUKZ-YBFXNURJSA-N	0	0	485.315	5.854	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214991433	569877121	/nfs/dbraw/zinc/87/71/21/569877121.db2.gz	SFUQVYSVXITWBI-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)ccc1Cl	ZINC000214997756	569877148	/nfs/dbraw/zinc/87/71/48/569877148.db2.gz	DLYOGKZCCSQXIH-RGVLZGJSSA-N	0	0	498.900	5.531	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000215262274	569877275	/nfs/dbraw/zinc/87/72/75/569877275.db2.gz	IVBSOCKUOOIEIH-XQNSMLJCSA-N	0	0	476.510	5.289	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000215255730	569877287	/nfs/dbraw/zinc/87/72/87/569877287.db2.gz	GJMHEIBVWHARLF-SRZZPIQSSA-N	0	0	479.470	5.616	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000215247360	569877291	/nfs/dbraw/zinc/87/72/91/569877291.db2.gz	BHVSAXGJGJJSDN-LPYMAVHISA-N	0	0	491.481	5.319	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O	ZINC000222238206	569883910	/nfs/dbraw/zinc/88/39/10/569883910.db2.gz	PXKSZLNWUBATKZ-STPMEKMUSA-N	0	0	462.505	5.327	40	5		JKBBRN
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1	ZINC000222986204	569896194	/nfs/dbraw/zinc/89/61/94/569896194.db2.gz	QBOHRUKXYBWKIS-VXKWHMMOSA-N	0	0	452.536	5.031	40	5		JKBBRN
Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(C)(=O)=O	ZINC000222988234	569896291	/nfs/dbraw/zinc/89/62/91/569896291.db2.gz	SDLSJBYQKQYGGO-UHFFFAOYSA-N	0	0	487.965	5.084	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223320937	569907435	/nfs/dbraw/zinc/90/74/35/569907435.db2.gz	QXHJMBPTBVCNBY-CUNXSJBXSA-N	0	0	487.600	5.001	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1	ZINC000223365075	569908918	/nfs/dbraw/zinc/90/89/18/569908918.db2.gz	DWSZQXMDQHVEHF-PKTZIBPZSA-N	0	0	476.514	5.024	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223377219	569909342	/nfs/dbraw/zinc/90/93/42/569909342.db2.gz	UYWISHQMMANCGH-CUNXSJBXSA-N	0	0	487.600	5.001	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223399722	569909882	/nfs/dbraw/zinc/90/98/82/569909882.db2.gz	DPPRCVQAURJIBP-DNQXCXABSA-N	0	0	456.527	5.423	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223406572	569910156	/nfs/dbraw/zinc/91/01/56/569910156.db2.gz	ITUGWKCLKDPDGG-DNQXCXABSA-N	0	0	456.527	5.423	40	5		JKBBRN
CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223543928	569915381	/nfs/dbraw/zinc/91/53/81/569915381.db2.gz	MBVTVLOUHXSSEJ-LJQANCHMSA-N	0	0	480.392	5.166	40	5		JKBBRN
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223818932	569924280	/nfs/dbraw/zinc/92/42/80/569924280.db2.gz	LGTYZHHCCAZMAZ-HXUWFJFHSA-N	0	0	480.392	5.168	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000223830112	569924552	/nfs/dbraw/zinc/92/45/52/569924552.db2.gz	HGPALJHWEJRCRU-RPBOFIJWSA-N	0	0	485.569	5.356	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223833180	569924698	/nfs/dbraw/zinc/92/46/98/569924698.db2.gz	ZNXIFLSHPMDYAI-JWQCQUIFSA-N	0	0	486.553	5.826	40	5		JKBBRN
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223858188	569925336	/nfs/dbraw/zinc/92/53/36/569925336.db2.gz	PJJSSIAGBRAQDK-HXUWFJFHSA-N	0	0	480.392	5.168	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223873076	569925818	/nfs/dbraw/zinc/92/58/18/569925818.db2.gz	IMPISVXFLQKTPB-XZOQPEGZSA-N	0	0	458.499	5.133	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223873123	569925832	/nfs/dbraw/zinc/92/58/32/569925832.db2.gz	IMPISVXFLQKTPB-GOTSBHOMSA-N	0	0	458.499	5.133	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223877152	569925947	/nfs/dbraw/zinc/92/59/47/569925947.db2.gz	HNQVGNOZMFMGIX-BJKOFHAPSA-N	0	0	488.525	5.141	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1	ZINC000223881127	569926074	/nfs/dbraw/zinc/92/60/74/569926074.db2.gz	XLPRHRMBLZTBNF-PKTZIBPZSA-N	0	0	458.499	5.133	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1	ZINC000224036868	569931450	/nfs/dbraw/zinc/93/14/50/569931450.db2.gz	LWVMJCQZYHKVGR-DNQXCXABSA-N	0	0	486.509	5.156	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224157197	569934834	/nfs/dbraw/zinc/93/48/34/569934834.db2.gz	WWKZDRWQWAXICI-DEOSSOPVSA-N	0	0	483.634	5.003	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1	ZINC000224185045	569935652	/nfs/dbraw/zinc/93/56/52/569935652.db2.gz	PENFXJBLQVLKAB-DNQXCXABSA-N	0	0	472.526	5.436	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224215606	569936848	/nfs/dbraw/zinc/93/68/48/569936848.db2.gz	ZVFUAJNQHHVJDY-DNQXCXABSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224221899	569937046	/nfs/dbraw/zinc/93/70/46/569937046.db2.gz	NQVXXWBENKKDME-BJKOFHAPSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224221808	569937061	/nfs/dbraw/zinc/93/70/61/569937061.db2.gz	NQVXXWBENKKDME-ZEQRLZLVSA-N	0	0	456.527	5.735	40	5		JKBBRN
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(-c2ccccc2)cc1	ZINC000224223492	569937090	/nfs/dbraw/zinc/93/70/90/569937090.db2.gz	ABWDJDBZAWNNMJ-UHFFFAOYSA-N	0	0	468.509	6.410	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224315673	569940261	/nfs/dbraw/zinc/94/02/61/569940261.db2.gz	RIZJRJGEFBRCBE-RPBOFIJWSA-N	0	0	470.554	6.044	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224378035	569942501	/nfs/dbraw/zinc/94/25/01/569942501.db2.gz	DLCMXWGCJHAYBT-CLJLJLNGSA-N	0	0	483.597	6.081	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224377982	569942527	/nfs/dbraw/zinc/94/25/27/569942527.db2.gz	DLCMXWGCJHAYBT-IZZNHLLZSA-N	0	0	483.597	6.081	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224386787	569942814	/nfs/dbraw/zinc/94/28/14/569942814.db2.gz	CPBDHFXDHFVSQH-FTJBHMTQSA-N	0	0	484.581	6.550	40	5		JKBBRN
CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224396400	569943210	/nfs/dbraw/zinc/94/32/10/569943210.db2.gz	YEYCFHLSDHOWPQ-FQEVSTJZSA-N	0	0	498.432	5.078	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224411467	569943778	/nfs/dbraw/zinc/94/37/78/569943778.db2.gz	FFPFBANLKWGVAP-OAQYLSRUSA-N	0	0	492.403	5.310	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224415258	569943928	/nfs/dbraw/zinc/94/39/28/569943928.db2.gz	JLWJLQNXIDPMMG-ZEQRLZLVSA-N	0	0	490.516	5.575	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224445400	569944753	/nfs/dbraw/zinc/94/47/53/569944753.db2.gz	KJSMDVGYDWXHIT-XZOQPEGZSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224451755	569944935	/nfs/dbraw/zinc/94/49/35/569944935.db2.gz	RACSCUPHXNYNFJ-PKTZIBPZSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1	ZINC000224451907	569944959	/nfs/dbraw/zinc/94/49/59/569944959.db2.gz	DOFCKHUAGXIUCN-DHIUTWEWSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	ZINC000224474695	569945574	/nfs/dbraw/zinc/94/55/74/569945574.db2.gz	LEVQLGXVIFPSAQ-XZOQPEGZSA-N	0	0	475.961	5.611	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C(C)(C)C	ZINC000224515878	569946983	/nfs/dbraw/zinc/94/69/83/569946983.db2.gz	LJNPTWJIKFJZPF-UHFFFAOYSA-N	0	0	462.546	6.431	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(Cl)c(C)c1	ZINC000224548754	569948018	/nfs/dbraw/zinc/94/80/18/569948018.db2.gz	WKXNBNFNBYFOOH-UHFFFAOYSA-N	0	0	454.910	6.095	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224552605	569948155	/nfs/dbraw/zinc/94/81/55/569948155.db2.gz	KDOHOVVJRCRNMM-ZEQRLZLVSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000224589106	569949676	/nfs/dbraw/zinc/94/96/76/569949676.db2.gz	XQYYIDLTBTXCAW-RPWUZVMVSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000224589207	569949711	/nfs/dbraw/zinc/94/97/11/569949711.db2.gz	XQYYIDLTBTXCAW-DNQXCXABSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000224589001	569949722	/nfs/dbraw/zinc/94/97/22/569949722.db2.gz	IRWYYUFEHGJYJV-DNQXCXABSA-N	0	0	472.526	5.436	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224616836	569950985	/nfs/dbraw/zinc/95/09/85/569950985.db2.gz	CDDBMLILDHTNSJ-DHIUTWEWSA-N	0	0	458.499	5.133	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224620461	569951094	/nfs/dbraw/zinc/95/10/94/569951094.db2.gz	JCAIRPQIFBVVFP-ZEQRLZLVSA-N	0	0	488.525	5.141	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)cc1	ZINC000224623948	569951294	/nfs/dbraw/zinc/95/12/94/569951294.db2.gz	JBAJRQOQGINFID-XZOQPEGZSA-N	0	0	458.499	5.133	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)cc1	ZINC000224623902	569951305	/nfs/dbraw/zinc/95/13/05/569951305.db2.gz	JBAJRQOQGINFID-PKTZIBPZSA-N	0	0	458.499	5.133	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccc(Cl)cc1	ZINC000224679363	569953384	/nfs/dbraw/zinc/95/33/84/569953384.db2.gz	CRCADFWDPVVJEG-UHFFFAOYSA-N	0	0	456.951	6.500	40	5		JKBBRN
Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)NC1CCCCC1	ZINC000224679400	569953386	/nfs/dbraw/zinc/95/33/86/569953386.db2.gz	PEPZONNEAYRSPI-HXUWFJFHSA-N	0	0	483.634	5.003	40	5		JKBBRN
Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)NC1CCCCC1	ZINC000224679354	569953410	/nfs/dbraw/zinc/95/34/10/569953410.db2.gz	PEPZONNEAYRSPI-FQEVSTJZSA-N	0	0	483.634	5.003	40	5		JKBBRN
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224705217	569954263	/nfs/dbraw/zinc/95/42/63/569954263.db2.gz	YOWJHMOUJZKLMR-QFIPXVFZSA-N	0	0	492.041	5.061	40	5		JKBBRN
Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCCC2)cc1	ZINC000224734032	569955317	/nfs/dbraw/zinc/95/53/17/569955317.db2.gz	XFBJABPCVHMPBF-HXUWFJFHSA-N	0	0	483.634	5.003	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccco3)cc2)cc1	ZINC000224760232	569956404	/nfs/dbraw/zinc/95/64/04/569956404.db2.gz	OGRJKHNOMWPBGY-PKTZIBPZSA-N	0	0	474.567	5.911	40	5		JKBBRN
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224777153	569957121	/nfs/dbraw/zinc/95/71/21/569957121.db2.gz	APUJHNRXTCVTPC-FQEVSTJZSA-N	0	0	480.392	5.024	40	5		JKBBRN
Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000224790219	569957716	/nfs/dbraw/zinc/95/77/16/569957716.db2.gz	PNZXEEQEETUBCA-RPWUZVMVSA-N	0	0	487.610	5.657	40	5		JKBBRN
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1	ZINC000224791023	569957772	/nfs/dbraw/zinc/95/77/72/569957772.db2.gz	KQLXEOUBZBHWKL-RPWUZVMVSA-N	0	0	487.610	5.955	40	5		JKBBRN
Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1	ZINC000224845690	569960094	/nfs/dbraw/zinc/96/00/94/569960094.db2.gz	HXRWEJWAOSVBGK-NDEPHWFRSA-N	0	0	499.611	5.145	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	ZINC000224879326	569961512	/nfs/dbraw/zinc/96/15/12/569961512.db2.gz	RCKBMUYYZRGYHO-GOTSBHOMSA-N	0	0	491.960	5.317	40	5		JKBBRN
CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224881495	569961677	/nfs/dbraw/zinc/96/16/77/569961677.db2.gz	WCYYSNPJBNAXBD-OAHLLOKOSA-N	0	0	498.432	5.078	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1	ZINC000224887465	569961912	/nfs/dbraw/zinc/96/19/12/569961912.db2.gz	BALQOEMNPSHEND-GOTSBHOMSA-N	0	0	492.944	5.786	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F	ZINC000224908578	569962883	/nfs/dbraw/zinc/96/28/83/569962883.db2.gz	HECPNSCMXQBRMT-DNQXCXABSA-N	0	0	473.533	5.405	40	5		JKBBRN
CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224914303	569963199	/nfs/dbraw/zinc/96/31/99/569963199.db2.gz	XEKKVNCJPTZESM-OAHLLOKOSA-N	0	0	498.432	5.078	40	5		JKBBRN
COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c(OC)c1	ZINC000224937792	569964118	/nfs/dbraw/zinc/96/41/18/569964118.db2.gz	GWOHSBQRIAXUCZ-UHFFFAOYSA-N	0	0	459.458	5.495	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1	ZINC000224944581	569964342	/nfs/dbraw/zinc/96/43/42/569964342.db2.gz	MHWPGEHZAHIOMK-UHFFFAOYSA-N	0	0	464.275	5.932	40	5		JKBBRN
CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	ZINC000408599948	569968249	/nfs/dbraw/zinc/96/82/49/569968249.db2.gz	PJJNDVQOJLODAX-GRSHGNNSSA-N	0	0	491.363	5.629	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1	ZINC000225029671	569970276	/nfs/dbraw/zinc/97/02/76/569970276.db2.gz	HRQBTARWVOJQOQ-PKTZIBPZSA-N	0	0	464.547	5.174	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225036763	569970802	/nfs/dbraw/zinc/97/08/02/569970802.db2.gz	IMOCXMOAOPGTBM-RUZDIDTESA-N	0	0	497.661	5.393	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408605616	569970800	/nfs/dbraw/zinc/97/08/00/569970800.db2.gz	GFNQEOZMTFXPFC-UHFFFAOYSA-N	0	0	488.294	5.465	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000408606585	569971200	/nfs/dbraw/zinc/97/12/00/569971200.db2.gz	ITZQQMMKUFHOOQ-UHFFFAOYSA-N	0	0	491.769	6.601	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1	ZINC000408606540	569971267	/nfs/dbraw/zinc/97/12/67/569971267.db2.gz	IMIMHNSBCCKTBW-UHFFFAOYSA-N	0	0	453.325	7.246	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	ZINC000408608062	569971754	/nfs/dbraw/zinc/97/17/54/569971754.db2.gz	MLDJTNXDHTZNSU-UHFFFAOYSA-N	0	0	491.769	6.601	40	5		JKBBRN
Cc1cccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Br)c1	ZINC000408608949	569971977	/nfs/dbraw/zinc/97/19/77/569971977.db2.gz	NGFOMUFFBBHPKC-UHFFFAOYSA-N	0	0	470.323	5.295	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	ZINC000225053314	569972142	/nfs/dbraw/zinc/97/21/42/569972142.db2.gz	DXPUGKIXGVHQNC-IZZNHLLZSA-N	0	0	498.612	5.255	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1	ZINC000225053110	569972177	/nfs/dbraw/zinc/97/21/77/569972177.db2.gz	OGVSHSGEWHNHLC-FTJBHMTQSA-N	0	0	498.612	5.255	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1	ZINC000408610010	569972339	/nfs/dbraw/zinc/97/23/39/569972339.db2.gz	QDLGINVGLYAFDI-UHFFFAOYSA-N	0	0	457.324	5.947	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1	ZINC000225061136	569972623	/nfs/dbraw/zinc/97/26/23/569972623.db2.gz	KEOPTCXEUACTSF-CLJLJLNGSA-N	0	0	499.596	5.725	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1	ZINC000225061427	569972754	/nfs/dbraw/zinc/97/27/54/569972754.db2.gz	MCCZUVRWLPIYTE-UIOOFZCWSA-N	0	0	499.596	5.725	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	ZINC000408612161	569972957	/nfs/dbraw/zinc/97/29/57/569972957.db2.gz	URZPFPCSDXSNSJ-UHFFFAOYSA-N	0	0	455.898	5.277	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225068760	569973283	/nfs/dbraw/zinc/97/32/83/569973283.db2.gz	DRJBRIUMWLZUIA-RUZDIDTESA-N	0	0	497.661	5.393	40	5		JKBBRN
CCOc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408613844	569973523	/nfs/dbraw/zinc/97/35/23/569973523.db2.gz	WKSYMPXXUXXXRW-UHFFFAOYSA-N	0	0	471.351	6.256	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225100474	569975122	/nfs/dbraw/zinc/97/51/22/569975122.db2.gz	WKMLSPFDRWQCIS-RUZDIDTESA-N	0	0	497.661	5.393	40	5		JKBBRN
CC(C)n1c(=O)sc2cc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)ccc21	ZINC000225132488	569977114	/nfs/dbraw/zinc/97/71/14/569977114.db2.gz	YDWVTWSWIUNHTC-KGENOOAVSA-N	0	0	459.527	5.731	40	5		JKBBRN
CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	ZINC000408622424	569978752	/nfs/dbraw/zinc/97/87/52/569978752.db2.gz	QAROFHNLTFWJAA-UHFFFAOYSA-N	0	0	485.334	5.896	40	5		JKBBRN
O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000408624913	569979947	/nfs/dbraw/zinc/97/99/47/569979947.db2.gz	VUGMWJAKCOHNRJ-UHFFFAOYSA-N	0	0	456.079	6.176	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408638386	569987848	/nfs/dbraw/zinc/98/78/48/569987848.db2.gz	CAQINDQZQJYDPB-OAHLLOKOSA-N	0	0	451.866	5.032	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O	ZINC000408638694	569988046	/nfs/dbraw/zinc/98/80/46/569988046.db2.gz	CZBAXGFFFDJCKN-HNNXBMFYSA-N	0	0	481.892	5.041	40	5		JKBBRN
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408644857	569990985	/nfs/dbraw/zinc/99/09/85/569990985.db2.gz	TWGQXJGVWOYAAT-INIZCTEOSA-N	0	0	465.893	5.341	40	5		JKBBRN
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408645417	569991370	/nfs/dbraw/zinc/99/13/70/569991370.db2.gz	USKUTWQVKPYHQB-OAQYLSRUSA-N	0	0	481.508	5.840	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408649047	569993155	/nfs/dbraw/zinc/99/31/55/569993155.db2.gz	ZFVDYDSCEXPKBV-FQEVSTJZSA-N	0	0	467.481	5.532	40	5		JKBBRN
Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc(C)c1OCc1ccccc1	ZINC000225538614	570003734	/nfs/dbraw/zinc/00/37/34/570003734.db2.gz	MRZIGCWEULSVIP-UHFFFAOYSA-N	0	0	458.558	6.631	40	5		JKBBRN
Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1[N+](=O)[O-]	ZINC000408667705	570005447	/nfs/dbraw/zinc/00/54/47/570005447.db2.gz	JRHIYHWPJHWZJQ-UHFFFAOYSA-N	0	0	475.888	5.567	40	5		JKBBRN
Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc(C)c1OCc1ccccc1	ZINC000225565395	570006104	/nfs/dbraw/zinc/00/61/04/570006104.db2.gz	GRXZVEVGPHUXRL-UHFFFAOYSA-N	0	0	460.530	5.478	40	5		JKBBRN
CCC1(CC)C[C@H](NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2O1	ZINC000225569026	570006385	/nfs/dbraw/zinc/00/63/85/570006385.db2.gz	BGKNXRYNGVUWPI-GRBCXPRBSA-N	0	0	456.542	6.334	40	5		JKBBRN
Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1[N+](=O)[O-]	ZINC000408669572	570006630	/nfs/dbraw/zinc/00/66/30/570006630.db2.gz	WWMJHBRWMYKLGT-WPSZSDGUSA-N	0	0	496.560	5.316	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225588216	570007992	/nfs/dbraw/zinc/00/79/92/570007992.db2.gz	RCRKJJIJMDNVNW-VGOFRKELSA-N	0	0	492.041	5.204	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408674300	570009009	/nfs/dbraw/zinc/00/90/09/570009009.db2.gz	ZBHDNGKRGDDOMI-UHFFFAOYSA-N	0	0	453.454	5.892	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225616150	570009945	/nfs/dbraw/zinc/00/99/45/570009945.db2.gz	LNTHZLGCWRNOAK-VGOFRKELSA-N	0	0	492.041	5.204	40	5		JKBBRN
O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000408676553	570010606	/nfs/dbraw/zinc/01/06/06/570010606.db2.gz	DJISDTTZIXSDTE-ACKJMCFBSA-N	0	0	491.503	5.296	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2Cl)cc1	ZINC000408681692	570012667	/nfs/dbraw/zinc/01/26/67/570012667.db2.gz	IFFIVFIJTNOMKB-QFIPXVFZSA-N	0	0	478.353	5.998	40	5		JKBBRN
CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1	ZINC000408683715	570013308	/nfs/dbraw/zinc/01/33/08/570013308.db2.gz	NNVLQPYOYUJBHJ-LADGPHEKSA-N	0	0	481.508	5.360	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)N1[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000408686771	570014149	/nfs/dbraw/zinc/01/41/49/570014149.db2.gz	SUAMGBQQIMPRGO-ACKJMCFBSA-N	0	0	491.503	5.296	40	5		JKBBRN
Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1	ZINC000408693692	570016300	/nfs/dbraw/zinc/01/63/00/570016300.db2.gz	BXOGTHRBISAFHE-UHFFFAOYSA-N	0	0	468.300	5.710	40	5		JKBBRN
Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)c(C)c1	ZINC000408693840	570016385	/nfs/dbraw/zinc/01/63/85/570016385.db2.gz	FVCXWYROPHBSPV-UHFFFAOYSA-N	0	0	492.333	5.474	40	5		JKBBRN
Cc1ccccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1	ZINC000408694987	570017410	/nfs/dbraw/zinc/01/74/10/570017410.db2.gz	NHMNICBUOZYBRN-UHFFFAOYSA-N	0	0	478.306	5.166	40	5		JKBBRN
CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1	ZINC000408695356	570017778	/nfs/dbraw/zinc/01/77/78/570017778.db2.gz	QCSWVGFHOIVITB-UHFFFAOYSA-N	0	0	463.881	5.147	40	5		JKBBRN
COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OCC(C)C	ZINC000225756969	570020307	/nfs/dbraw/zinc/02/03/07/570020307.db2.gz	RHCQJVZEVKAPEV-UHFFFAOYSA-N	0	0	454.523	5.257	40	5		JKBBRN
CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC	ZINC000225756930	570020341	/nfs/dbraw/zinc/02/03/41/570020341.db2.gz	AMZARUXAXVRSJV-KRWDZBQOSA-N	0	0	454.523	5.399	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1	ZINC000408703111	570023096	/nfs/dbraw/zinc/02/30/96/570023096.db2.gz	DRCJEMOOQSUFLV-XMMPIXPASA-N	0	0	481.961	5.583	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1	ZINC000408703422	570023277	/nfs/dbraw/zinc/02/32/77/570023277.db2.gz	FVDIMBKMJCHBME-DEOSSOPVSA-N	0	0	497.960	5.283	40	5		JKBBRN
O=C(Oc1ccccc1)C(=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Oc1ccccc1	ZINC000408718563	570026022	/nfs/dbraw/zinc/02/60/22/570026022.db2.gz	ZEPNITXWVJBAAO-UHFFFAOYSA-N	0	0	489.867	6.103	40	5		JKBBRN
O=C(Oc1ccc(I)cc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1	ZINC000408720913	570026667	/nfs/dbraw/zinc/02/66/67/570026667.db2.gz	AZTVGFVTQZZBSO-UHFFFAOYSA-N	0	0	465.250	5.088	40	5		JKBBRN
O=C(Nc1ccc(I)cc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1	ZINC000408721705	570027077	/nfs/dbraw/zinc/02/70/77/570027077.db2.gz	LIWGSBVYIDLCQE-UHFFFAOYSA-N	0	0	464.266	5.121	40	5		JKBBRN
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000408733546	570029742	/nfs/dbraw/zinc/02/97/42/570029742.db2.gz	ZCNNIJJTRFUIQU-JOCHJYFZSA-N	0	0	481.892	5.616	40	5		JKBBRN
Cc1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1	ZINC000408736587	570030559	/nfs/dbraw/zinc/03/05/59/570030559.db2.gz	DAEFAPKAJNUXOG-HHHXNRCGSA-N	0	0	493.563	5.401	40	5		JKBBRN
Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1	ZINC000408736972	570030649	/nfs/dbraw/zinc/03/06/49/570030649.db2.gz	KJBFRMSZLZFJAQ-MHZLTWQESA-N	0	0	493.563	5.401	40	5		JKBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccccc3Cl)sc2c1	ZINC000408749126	570033468	/nfs/dbraw/zinc/03/34/68/570033468.db2.gz	DQUXDFBFJKAUQG-UHFFFAOYSA-N	0	0	481.942	5.951	40	5		JKBBRN
Cc1cc(C)c(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c(C)c1	ZINC000408750774	570034118	/nfs/dbraw/zinc/03/41/18/570034118.db2.gz	RNBMKFXUTIXNPT-UHFFFAOYSA-N	0	0	489.578	6.223	40	5		JKBBRN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccccc3Cl)sc2c1	ZINC000408751487	570034427	/nfs/dbraw/zinc/03/44/27/570034427.db2.gz	ZYHSAHZCVOITLW-UHFFFAOYSA-N	0	0	481.942	5.951	40	5		JKBBRN
CCCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)cc2C)C1=O	ZINC000408755775	570035492	/nfs/dbraw/zinc/03/54/92/570035492.db2.gz	FLGDJZUZYFDUKP-UHFFFAOYSA-N	0	0	453.292	5.492	40	5		JKBBRN
CCc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408756905	570035682	/nfs/dbraw/zinc/03/56/82/570035682.db2.gz	KEPPSBLEDGNFQV-UHFFFAOYSA-N	0	0	471.900	6.508	40	5		JKBBRN
CCCCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)cc2C)C1=O	ZINC000408757630	570035986	/nfs/dbraw/zinc/03/59/86/570035986.db2.gz	OCOGQSWFWYISJD-UHFFFAOYSA-N	0	0	467.319	5.882	40	5		JKBBRN
COc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1	ZINC000226630220	570038148	/nfs/dbraw/zinc/03/81/48/570038148.db2.gz	WJBNWJGIKUVPFI-FOCFSEODSA-N	0	0	478.504	5.027	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1	ZINC000408770735	570038723	/nfs/dbraw/zinc/03/87/23/570038723.db2.gz	BPNAHRQMUWEWMN-PZDOZLBDSA-N	0	0	455.923	5.670	40	5		JKBBRN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)ccc1F	ZINC000226862934	570039087	/nfs/dbraw/zinc/03/90/87/570039087.db2.gz	VACHVKCBOSZGAD-UHFFFAOYSA-N	0	0	457.266	5.634	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)S2)cc1	ZINC000408772609	570039289	/nfs/dbraw/zinc/03/92/89/570039289.db2.gz	DLHSVONLIHSSLY-JZRHZWBPSA-N	0	0	490.368	6.324	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)S2)cc1	ZINC000408775157	570040089	/nfs/dbraw/zinc/04/00/89/570040089.db2.gz	FIAOVRIZUDNQKP-QCHPHUCNSA-N	0	0	451.504	5.025	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)S2)cc1	ZINC000408779421	570041065	/nfs/dbraw/zinc/04/10/65/570041065.db2.gz	DTSDRJJFDZUDSW-QCHPHUCNSA-N	0	0	451.504	5.025	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1	ZINC000408782205	570041984	/nfs/dbraw/zinc/04/19/84/570041984.db2.gz	FXBPVHHZFBFWBU-MFCBUNOESA-N	0	0	484.581	5.760	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1	ZINC000408786843	570043315	/nfs/dbraw/zinc/04/33/15/570043315.db2.gz	ONJRNTZGSCHBEQ-ZRELAVNMSA-N	0	0	455.923	5.670	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3\SC(Nc4cc(Cl)ccc4C)NC3=O)o2)c([N+](=O)[O-])c1	ZINC000408797329	570044628	/nfs/dbraw/zinc/04/46/28/570044628.db2.gz	CKEHJSIENMOTKW-UHFFFAOYSA-N	0	0	470.914	5.588	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)o1	ZINC000408801710	570045901	/nfs/dbraw/zinc/04/59/01/570045901.db2.gz	BCLOYXODHPOGNN-UHFFFAOYSA-N	0	0	454.915	5.888	40	5		JKBBRN
O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408804978	570047069	/nfs/dbraw/zinc/04/70/69/570047069.db2.gz	IAGBJTHUQSUCPN-UHFFFAOYSA-N	0	0	450.471	5.076	40	5		JKBBRN
Cc1c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000408811976	570049423	/nfs/dbraw/zinc/04/94/23/570049423.db2.gz	MCYCLLZKPBZMGM-IWIPYMOSSA-N	0	0	469.522	6.147	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	ZINC000408812383	570049498	/nfs/dbraw/zinc/04/94/98/570049498.db2.gz	MVZDGGKQJLIQQX-NVMNQCDNSA-N	0	0	493.335	5.001	40	5		JKBBRN
O=C1[C@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000239284774	570050073	/nfs/dbraw/zinc/05/00/73/570050073.db2.gz	CACWZHSYVDZDDS-VIJSPRBVSA-N	0	0	493.519	6.025	40	5		JKBBRN
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1Nc1ccccc1	ZINC000408814883	570050146	/nfs/dbraw/zinc/05/01/46/570050146.db2.gz	SLYODPAWESYEGL-JGHMOANSSA-N	0	0	488.589	6.909	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408816265	570050606	/nfs/dbraw/zinc/05/06/06/570050606.db2.gz	JFGSEPRTPGIXSW-YVLHZVERSA-N	0	0	493.335	5.001	40	5		JKBBRN
Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1	ZINC000408819502	570051496	/nfs/dbraw/zinc/05/14/96/570051496.db2.gz	ZAVJJKPVATVIKT-UHFFFAOYSA-N	0	0	475.333	6.233	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1cccc(Br)c1	ZINC000408823248	570052192	/nfs/dbraw/zinc/05/21/92/570052192.db2.gz	DMUOROKMERVPAS-UHFFFAOYSA-N	0	0	480.343	6.400	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000408823554	570052221	/nfs/dbraw/zinc/05/22/21/570052221.db2.gz	GAQRYXISRFVJDL-UHFFFAOYSA-N	0	0	463.946	6.908	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1	ZINC000408824239	570052314	/nfs/dbraw/zinc/05/23/14/570052314.db2.gz	GLJXUBAPKKMEFO-UHFFFAOYSA-N	0	0	470.337	6.944	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)C12CC3CC(CC(C3)C1)C2	ZINC000408836084	570053123	/nfs/dbraw/zinc/05/31/23/570053123.db2.gz	ZCAYJVSAHXSONJ-UHFFFAOYSA-N	0	0	494.016	7.194	40	5		JKBBRN
COc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408836338	570053126	/nfs/dbraw/zinc/05/31/26/570053126.db2.gz	QDLDYKGINDPHQZ-UHFFFAOYSA-N	0	0	465.918	6.300	40	5		JKBBRN
O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000408838905	570053391	/nfs/dbraw/zinc/05/33/91/570053391.db2.gz	JYLOEPOSCDFBHP-NTUHNPAUSA-N	0	0	463.696	5.570	40	5		JKBBRN
O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1Cl	ZINC000408840607	570053610	/nfs/dbraw/zinc/05/36/10/570053610.db2.gz	ZNMTVWNUFSVIHS-WLRTZDKTSA-N	0	0	453.690	6.114	40	5		JKBBRN
O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(Br)cc1	ZINC000408842011	570053812	/nfs/dbraw/zinc/05/38/12/570053812.db2.gz	HUQWDYFOTMINRA-NTUHNPAUSA-N	0	0	463.696	5.570	40	5		JKBBRN
Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cccc1[N+](=O)[O-]	ZINC000408906929	570071096	/nfs/dbraw/zinc/07/10/96/570071096.db2.gz	KQYFCOUUPDSHGA-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)o1	ZINC000408916694	570075466	/nfs/dbraw/zinc/07/54/66/570075466.db2.gz	GGMJKKCXUODQRP-JAIQZWGSSA-N	0	0	465.443	5.308	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408916657	570075488	/nfs/dbraw/zinc/07/54/88/570075488.db2.gz	FTTDHXGJLAPMFG-LPYMAVHISA-N	0	0	491.481	5.319	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408916492	570075490	/nfs/dbraw/zinc/07/54/90/570075490.db2.gz	DLMQTZLJBQHFNB-WOJGMQOQSA-N	0	0	478.511	5.452	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408916502	570075497	/nfs/dbraw/zinc/07/54/97/570075497.db2.gz	DOVMBNGHJAFUEU-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408917241	570075710	/nfs/dbraw/zinc/07/57/10/570075710.db2.gz	PQEFKLCKHFTLCP-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408919600	570076663	/nfs/dbraw/zinc/07/66/63/570076663.db2.gz	YULZDBNWUYYQHY-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1	ZINC000408943022	570083063	/nfs/dbraw/zinc/08/30/63/570083063.db2.gz	XTPUHWNPDLRWKG-JAIQZWGSSA-N	0	0	497.916	5.492	40	5		JKBBRN
O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1	ZINC000408974525	570089307	/nfs/dbraw/zinc/08/93/07/570089307.db2.gz	AYXOHGPDSGORFP-HXUWFJFHSA-N	0	0	455.521	5.509	40	5		JKBBRN
O=C(Nc1cccc2ccccc21)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408976120	570089912	/nfs/dbraw/zinc/08/99/12/570089912.db2.gz	PFHGONNVRVWQCR-UHFFFAOYSA-N	0	0	451.489	6.285	40	5		JKBBRN
COC(=O)c1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408977235	570090070	/nfs/dbraw/zinc/09/00/70/570090070.db2.gz	UZQIKNSSGUDASW-UHFFFAOYSA-N	0	0	474.480	5.310	40	5		JKBBRN
N=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccc2c(c1)OCO2	ZINC000408977659	570090223	/nfs/dbraw/zinc/09/02/23/570090223.db2.gz	JMLPYPITDGMAQC-XASQNKGUSA-N	0	0	469.862	5.293	40	5		JKBBRN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1	ZINC000408979041	570090564	/nfs/dbraw/zinc/09/05/64/570090564.db2.gz	BOECPPRKRHJFOU-UHFFFAOYSA-N	0	0	487.522	5.174	40	5		JKBBRN
CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@@H]1c1cccc(Cl)c1Cl	ZINC000408985231	570092132	/nfs/dbraw/zinc/09/21/32/570092132.db2.gz	AJAFZSBRUYCZQS-HXUWFJFHSA-N	0	0	490.368	6.197	40	5		JKBBRN
Cc1ccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1	ZINC000408986870	570092618	/nfs/dbraw/zinc/09/26/18/570092618.db2.gz	PSPXBIIJFPGPKH-UHFFFAOYSA-N	0	0	475.551	5.914	40	5		JKBBRN
COc1cc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCC5)o2)cc([N+](=O)[O-])c1OC	ZINC000408987026	570092727	/nfs/dbraw/zinc/09/27/27/570092727.db2.gz	USKPURWVNWBGPC-UHFFFAOYSA-N	0	0	467.503	5.518	40	5		JKBBRN
Cc1sc2nc(-c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)[nH]c(=O)c2c1C	ZINC000408987119	570092751	/nfs/dbraw/zinc/09/27/51/570092751.db2.gz	ALEFLKQGEVXZHX-UHFFFAOYSA-N	0	0	456.530	5.943	40	5		JKBBRN
COc1cc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)o2)cc([N+](=O)[O-])c1OC	ZINC000408987788	570092936	/nfs/dbraw/zinc/09/29/36/570092936.db2.gz	YELXRRGZEKHNFE-UHFFFAOYSA-N	0	0	453.476	5.128	40	5		JKBBRN
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000408989553	570093480	/nfs/dbraw/zinc/09/34/80/570093480.db2.gz	LFISFLSUJOIHPV-UHFFFAOYSA-N	0	0	477.542	5.829	40	5		JKBBRN
CCOC(=O)C1=C(C)NC(SCc2ccc([N+](=O)[O-])cc2)=N[C@H]1c1cccc(Cl)c1Cl	ZINC000408990557	570093941	/nfs/dbraw/zinc/09/39/41/570093941.db2.gz	ODNNFLBFMVTQDM-IBGZPJMESA-N	0	0	480.373	5.672	40	5		JKBBRN
CCOC(=O)C1=C(C)NC(SCc2ccc([N+](=O)[O-])cc2)=N[C@@H]1c1cccc(Cl)c1Cl	ZINC000408990558	570093944	/nfs/dbraw/zinc/09/39/44/570093944.db2.gz	ODNNFLBFMVTQDM-LJQANCHMSA-N	0	0	480.373	5.672	40	5		JKBBRN
COc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000408991147	570094122	/nfs/dbraw/zinc/09/41/22/570094122.db2.gz	MZFKQVKMNGTEHH-UHFFFAOYSA-N	0	0	473.872	5.954	40	5		JKBBRN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N2C(c3ccc([N+](=O)[O-])cc3)=CSC2=N1	ZINC000408991555	570094261	/nfs/dbraw/zinc/09/42/61/570094261.db2.gz	QIGXFQUPWYNXBF-XMMPIXPASA-N	0	0	468.538	5.966	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4c5ccccc5C[C@@H]43)cc2)cc1	ZINC000408993261	570094677	/nfs/dbraw/zinc/09/46/77/570094677.db2.gz	CZBMHTFUGVIZSK-ZXRKZBAXSA-N	0	0	493.519	6.553	40	5		JKBBRN
Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4c5ccccc5C[C@H]43)cc2)cc1	ZINC000408993056	570094761	/nfs/dbraw/zinc/09/47/61/570094761.db2.gz	BRXBQGUWHJCDAW-NNFJYWIMSA-N	0	0	462.549	6.953	40	5		JKBBRN
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408994008	570095034	/nfs/dbraw/zinc/09/50/34/570095034.db2.gz	YBCWYJKWADIWPP-UHFFFAOYSA-N	0	0	477.542	5.829	40	5		JKBBRN
Cc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1	ZINC000408999723	570096046	/nfs/dbraw/zinc/09/60/46/570096046.db2.gz	SEGBIICMHTZHED-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000409002184	570096581	/nfs/dbraw/zinc/09/65/81/570096581.db2.gz	YSVDSLWKYYCREJ-OWPQXHQJSA-N	0	0	482.967	7.298	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409018621	570102081	/nfs/dbraw/zinc/10/20/81/570102081.db2.gz	NJOIFFMPKFZTLH-UHFFFAOYSA-N	0	0	490.475	6.638	40	5		JKBBRN
CC[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O	ZINC000409020334	570102706	/nfs/dbraw/zinc/10/27/06/570102706.db2.gz	OBQWGIDZSOCEFJ-BRABVMKYSA-N	0	0	462.527	6.162	40	5		JKBBRN
CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000253596853	570104153	/nfs/dbraw/zinc/10/41/53/570104153.db2.gz	WMMXFSVJARKOOK-VMGOQZOXSA-N	0	0	492.531	5.310	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cc(Cl)cc(Cl)c2)cc1	ZINC000409025968	570104303	/nfs/dbraw/zinc/10/43/03/570104303.db2.gz	CDCLIXJKXSXFAH-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Br)c1	ZINC000409051545	570110061	/nfs/dbraw/zinc/11/00/61/570110061.db2.gz	DYCBZQOVZRJUHD-UHFFFAOYSA-N	0	0	498.333	6.539	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000409052014	570110235	/nfs/dbraw/zinc/11/02/35/570110235.db2.gz	FOYFWRCEKVGXTP-UHFFFAOYSA-N	0	0	464.434	5.685	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1-c1ccccc1	ZINC000409053568	570110750	/nfs/dbraw/zinc/11/07/50/570110750.db2.gz	ZWVVKWPMEDBKHK-UHFFFAOYSA-N	0	0	495.535	7.444	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1ccccc1Cl	ZINC000409055802	570111642	/nfs/dbraw/zinc/11/16/42/570111642.db2.gz	FAANKVJEOYQOQH-BKUYFWCQSA-N	0	0	466.902	6.068	40	5		JKBBRN
O=C(Nc1ccc(O)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409079267	570121076	/nfs/dbraw/zinc/12/10/76/570121076.db2.gz	FESNPQVZJOHDBM-UHFFFAOYSA-N	0	0	461.477	6.435	40	5		JKBBRN
O=C(Nc1ccccc1F)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409086755	570123406	/nfs/dbraw/zinc/12/34/06/570123406.db2.gz	AZPNHJGCCQYNFA-UHFFFAOYSA-N	0	0	463.468	6.868	40	5		JKBBRN
CC(C)Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000409096805	570126928	/nfs/dbraw/zinc/12/69/28/570126928.db2.gz	FBQPRPJNEQKBDJ-UHFFFAOYSA-N	0	0	456.877	6.333	40	5		JKBBRN
CCc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1	ZINC000409097659	570127212	/nfs/dbraw/zinc/12/72/12/570127212.db2.gz	IZKGVEROQWILKO-UHFFFAOYSA-N	0	0	470.476	6.575	40	5		JKBBRN
Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1	ZINC000409099730	570127989	/nfs/dbraw/zinc/12/79/89/570127989.db2.gz	TUBUSNNFUBTCET-UHFFFAOYSA-N	0	0	456.449	6.321	40	5		JKBBRN
Cc1cccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	ZINC000409104551	570129611	/nfs/dbraw/zinc/12/96/11/570129611.db2.gz	JSEPSRLSHCHLEP-UHFFFAOYSA-N	0	0	470.476	6.245	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(Cc2ccccc2)n1-c1ccccc1	ZINC000409106402	570130433	/nfs/dbraw/zinc/13/04/33/570130433.db2.gz	LYLIOMHTMVBOPI-UHFFFAOYSA-N	0	0	456.449	5.936	40	5		JKBBRN
COCCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000409107381	570130671	/nfs/dbraw/zinc/13/06/71/570130671.db2.gz	PGRNVKIGZUZGFE-UHFFFAOYSA-N	0	0	458.849	5.323	40	5		JKBBRN
O=C1Nc2ccccc2S/C1=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409107889	570130939	/nfs/dbraw/zinc/13/09/39/570130939.db2.gz	XRTRSGZNOTWROL-MTJSOVHGSA-N	0	0	483.343	6.022	40	5		JKBBRN
CCOc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1	ZINC000409109142	570131336	/nfs/dbraw/zinc/13/13/36/570131336.db2.gz	YJUBAZPKZNENFP-UHFFFAOYSA-N	0	0	466.950	6.187	40	5		JKBBRN
COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409109748	570131671	/nfs/dbraw/zinc/13/16/71/570131671.db2.gz	KPAXDYQSDWIHNI-UHFFFAOYSA-N	0	0	471.351	6.174	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Br)cc(CO)cc1Br	ZINC000409109848	570131721	/nfs/dbraw/zinc/13/17/21/570131721.db2.gz	MRVJWMYMUWNYGV-UHFFFAOYSA-N	0	0	471.023	5.423	40	5		JKBBRN
CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409110371	570131955	/nfs/dbraw/zinc/13/19/55/570131955.db2.gz	VJWROQZGKOQGCJ-UHFFFAOYSA-N	0	0	461.345	6.800	40	5		JKBBRN
CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c2ccccc21	ZINC000409112865	570132921	/nfs/dbraw/zinc/13/29/21/570132921.db2.gz	MBGXWWVOULWUIY-STZFKDTASA-N	0	0	479.330	5.843	40	5		JKBBRN
CCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21	ZINC000409113313	570132986	/nfs/dbraw/zinc/13/29/86/570132986.db2.gz	HPPDPTCJHFIZRC-MOSHPQCFSA-N	0	0	479.330	5.843	40	5		JKBBRN
COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409113291	570133076	/nfs/dbraw/zinc/13/30/76/570133076.db2.gz	AFIGZURLGXPLMK-UHFFFAOYSA-N	0	0	457.324	5.865	40	5		JKBBRN
CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409113275	570133080	/nfs/dbraw/zinc/13/30/80/570133080.db2.gz	AETKSVPBDDVLSY-UHFFFAOYSA-N	0	0	471.351	6.256	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1Cc1ccccc1	ZINC000409113940	570133240	/nfs/dbraw/zinc/13/32/40/570133240.db2.gz	OVVBFVTZJRISLF-NDEPHWFRSA-N	0	0	493.519	5.685	40	5		JKBBRN
O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409114304	570133426	/nfs/dbraw/zinc/13/34/26/570133426.db2.gz	GPFYJOQMEVSLNT-UNOMPAQXSA-N	0	0	451.276	5.429	40	5		JKBBRN
CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3cccc(C)c3)c(=O)c2c1C	ZINC000409114500	570133521	/nfs/dbraw/zinc/13/35/21/570133521.db2.gz	HUBKREWGRMLYNC-UHFFFAOYSA-N	0	0	465.600	6.217	40	5		JKBBRN
CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c2ccccc21	ZINC000409116667	570134371	/nfs/dbraw/zinc/13/43/71/570134371.db2.gz	LAVWLLQKTUPVJH-XKZIYDEJSA-N	0	0	462.933	6.370	40	5		JKBBRN
CCOc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409117103	570134475	/nfs/dbraw/zinc/13/44/75/570134475.db2.gz	QDXFEIDAOMCRLB-UHFFFAOYSA-N	0	0	485.378	6.564	40	5		JKBBRN
CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(CC)cc3)c(=O)c2c1C	ZINC000409117749	570134700	/nfs/dbraw/zinc/13/47/00/570134700.db2.gz	MODOSNNSPSETJX-UHFFFAOYSA-N	0	0	479.627	6.471	40	5		JKBBRN
CCc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1	ZINC000409118122	570134817	/nfs/dbraw/zinc/13/48/17/570134817.db2.gz	OXMJHAREYZBWQU-UHFFFAOYSA-N	0	0	450.951	6.351	40	5		JKBBRN
CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409118866	570135075	/nfs/dbraw/zinc/13/50/75/570135075.db2.gz	QOOCWOGLBINJQT-UHFFFAOYSA-N	0	0	471.351	6.256	40	5		JKBBRN
CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409120096	570135391	/nfs/dbraw/zinc/13/53/91/570135391.db2.gz	VBPJMXUCSRZGEA-UHFFFAOYSA-N	0	0	471.351	6.256	40	5		JKBBRN
Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000409119888	570135415	/nfs/dbraw/zinc/13/54/15/570135415.db2.gz	UROCMPJRHPIAJO-UHFFFAOYSA-N	0	0	451.737	7.055	40	5		JKBBRN
COc1ccccc1[C@@H]1N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccccc1	ZINC000409120436	570135534	/nfs/dbraw/zinc/13/55/34/570135534.db2.gz	VRJOBVHXHPEZLG-MUUNZHRXSA-N	0	0	479.536	5.965	40	5		JKBBRN
COc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409121741	570136101	/nfs/dbraw/zinc/13/61/01/570136101.db2.gz	VYGFKPWRQMCNQY-UHFFFAOYSA-N	0	0	471.351	6.174	40	5		JKBBRN
CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409122114	570136224	/nfs/dbraw/zinc/13/62/24/570136224.db2.gz	ZGLBRSMVYKGXAE-UHFFFAOYSA-N	0	0	470.525	6.977	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1CCCc1ccccc1	ZINC000409127996	570138973	/nfs/dbraw/zinc/13/89/73/570138973.db2.gz	DJTVVQICLPIMSF-JJIBRWJFSA-N	0	0	474.538	5.843	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409136767	570142663	/nfs/dbraw/zinc/14/26/63/570142663.db2.gz	VGVIBNMODBWSSB-OEAKJJBVSA-N	0	0	482.558	5.799	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)cc1	ZINC000409137143	570142784	/nfs/dbraw/zinc/14/27/84/570142784.db2.gz	WMRCVSUVUPYOGV-UHFFFAOYSA-N	0	0	495.362	7.885	40	5		JKBBRN
O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1CC1CCCCC1	ZINC000409146793	570147424	/nfs/dbraw/zinc/14/74/24/570147424.db2.gz	KSUSSQYVSKSPSU-ZVHZXABRSA-N	0	0	475.570	6.214	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000409157633	570151034	/nfs/dbraw/zinc/15/10/34/570151034.db2.gz	VMHLMMVZZFTBPW-NHDPSOOVSA-N	0	0	468.918	6.362	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1C	ZINC000409170731	570154856	/nfs/dbraw/zinc/15/48/56/570154856.db2.gz	XKRAPYMCOQKWGY-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409172212	570155325	/nfs/dbraw/zinc/15/53/25/570155325.db2.gz	DDMCSYLBMQIWNU-WLRTZDKTSA-N	0	0	471.922	5.009	40	5		JKBBRN
O=C(CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc2ccccc21	ZINC000409173000	570155615	/nfs/dbraw/zinc/15/56/15/570155615.db2.gz	KGAHDMPCLBIWAY-UHFFFAOYSA-N	0	0	470.481	6.002	40	5		JKBBRN
O=C(Oc1ccc(C2CCCCC2)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000409173040	570155652	/nfs/dbraw/zinc/15/56/52/570155652.db2.gz	KWDJIRGRAUDVGI-UHFFFAOYSA-N	0	0	465.527	5.695	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000409173475	570155882	/nfs/dbraw/zinc/15/58/82/570155882.db2.gz	IOIKTVKMJCSSCR-SRZZPIQSSA-N	0	0	495.488	5.286	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(I)c1	ZINC000409175208	570156490	/nfs/dbraw/zinc/15/64/90/570156490.db2.gz	XPUOUZMUBVVJEA-UHFFFAOYSA-N	0	0	475.238	5.349	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1	ZINC000409176540	570157013	/nfs/dbraw/zinc/15/70/13/570157013.db2.gz	QKMXEQSCMXMVBW-UHFFFAOYSA-N	0	0	493.475	6.461	40	5		JKBBRN
Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1[N+](=O)[O-]	ZINC000409176551	570157133	/nfs/dbraw/zinc/15/71/33/570157133.db2.gz	RBBHOABGPCNWFH-UHFFFAOYSA-N	0	0	460.873	5.812	40	5		JKBBRN
O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21	ZINC000409176673	570157180	/nfs/dbraw/zinc/15/71/80/570157180.db2.gz	UQAWSJRHLUNDOG-NDEPHWFRSA-N	0	0	482.492	5.634	40	5		JKBBRN
CCC(=O)Nc1cc(OC)c(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1Cl	ZINC000409176952	570157245	/nfs/dbraw/zinc/15/72/45/570157245.db2.gz	CBNYXRXLFJZXRK-UHFFFAOYSA-N	0	0	484.892	5.755	40	5		JKBBRN
O=C(Oc1ccc(C2CCCCC2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409176840	570157309	/nfs/dbraw/zinc/15/73/09/570157309.db2.gz	ZCZQPIWPKWAWIB-UHFFFAOYSA-N	0	0	465.527	5.695	40	5		JKBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21	ZINC000409177326	570157490	/nfs/dbraw/zinc/15/74/90/570157490.db2.gz	DPDOPQXBMCFYDS-UHFFFAOYSA-N	0	0	453.281	6.474	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1	ZINC000409177618	570157579	/nfs/dbraw/zinc/15/75/79/570157579.db2.gz	COIORBURDRMQNA-PLQXJYEYSA-N	0	0	498.491	5.200	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c(C)c1	ZINC000409177699	570157605	/nfs/dbraw/zinc/15/76/05/570157605.db2.gz	GKILOJWLNILARJ-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000409177547	570157647	/nfs/dbraw/zinc/15/76/47/570157647.db2.gz	BWHUJONEJYCAFL-UHFFFAOYSA-N	0	0	468.465	5.996	40	5		JKBBRN
Cc1c(Cl)cccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000409177761	570157742	/nfs/dbraw/zinc/15/77/42/570157742.db2.gz	CTCGUHITUJEJOD-RUZDIDTESA-N	0	0	480.904	5.443	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cn2nnc3ccccc32)cc1	ZINC000409178653	570158013	/nfs/dbraw/zinc/15/80/13/570158013.db2.gz	NLBNCJWOQXEINR-UHFFFAOYSA-N	0	0	480.480	5.537	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409179277	570158372	/nfs/dbraw/zinc/15/83/72/570158372.db2.gz	LJBKGXZOIVRODE-UHFFFAOYSA-N	0	0	473.506	5.374	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccccc1	ZINC000409180026	570158645	/nfs/dbraw/zinc/15/86/45/570158645.db2.gz	URFWGWJHIUITEU-HHHXNRCGSA-N	0	0	465.461	5.607	40	5		JKBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1	ZINC000409180136	570158775	/nfs/dbraw/zinc/15/87/75/570158775.db2.gz	ULHAKTQMEIUNNX-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(Cl)cc2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000409180158	570158807	/nfs/dbraw/zinc/15/88/07/570158807.db2.gz	UQSAAWKXRLALSN-RUZDIDTESA-N	0	0	496.903	5.143	40	5		JKBBRN
O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000409180582	570158834	/nfs/dbraw/zinc/15/88/34/570158834.db2.gz	XJAMSGKOBDRWEQ-DEOSSOPVSA-N	0	0	466.877	5.134	40	5		JKBBRN
O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)OCc2ccccc2[N+](=O)[O-])c1	ZINC000409180423	570158916	/nfs/dbraw/zinc/15/89/16/570158916.db2.gz	SHWVROJJHITGAH-UHFFFAOYSA-N	0	0	475.284	5.276	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1c2ccccc2nc2c1CCCC2	ZINC000409180905	570159074	/nfs/dbraw/zinc/15/90/74/570159074.db2.gz	UIQQQMJXGZRTSE-HHHXNRCGSA-N	0	0	466.493	5.803	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	ZINC000409180882	570159090	/nfs/dbraw/zinc/15/90/90/570159090.db2.gz	TWJCXCSQTBFPHZ-UHFFFAOYSA-N	0	0	473.781	5.214	40	5		JKBBRN
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1	ZINC000409180999	570159220	/nfs/dbraw/zinc/15/92/20/570159220.db2.gz	XQKIJZHYQFQADW-LPYMAVHISA-N	0	0	491.525	5.401	40	5		JKBBRN
Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000409181524	570159369	/nfs/dbraw/zinc/15/93/69/570159369.db2.gz	CNYWSDJCPYGYIQ-UHFFFAOYSA-N	0	0	492.487	5.650	40	5		JKBBRN
CCC(C)(C)c1ccc(OCCCC(=O)OCc2ccc([N+](=O)[O-])cc2)c(C(C)(C)CC)c1	ZINC000409181598	570159414	/nfs/dbraw/zinc/15/94/14/570159414.db2.gz	DCTNAOCIZWVNTN-UHFFFAOYSA-N	0	0	455.595	6.872	40	5		JKBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21	ZINC000409181682	570159557	/nfs/dbraw/zinc/15/95/57/570159557.db2.gz	FZFTVZTVWPPLRP-UHFFFAOYSA-N	0	0	466.537	7.215	40	5		JKBBRN
CCC(=O)Nc1cc(OC)c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000409181953	570159658	/nfs/dbraw/zinc/15/96/58/570159658.db2.gz	HCHBFFYVBKBOIT-DEOSSOPVSA-N	0	0	496.903	5.386	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2C1=O	ZINC000409182038	570159674	/nfs/dbraw/zinc/15/96/74/570159674.db2.gz	HTENPPZXCJVFGK-UHFFFAOYSA-N	0	0	492.487	5.650	40	5		JKBBRN
Cc1ccccc1NCc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000409182358	570159885	/nfs/dbraw/zinc/15/98/85/570159885.db2.gz	KGINVBJAHMERME-UHFFFAOYSA-N	0	0	468.509	6.665	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1	ZINC000409182849	570159958	/nfs/dbraw/zinc/15/99/58/570159958.db2.gz	OPEODPKYMNTUDW-VWLOTQADSA-N	0	0	480.904	5.443	40	5		JKBBRN
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000409182827	570159962	/nfs/dbraw/zinc/15/99/62/570159962.db2.gz	OXPZSVDJSRWJQT-WUXMJOGZSA-N	0	0	471.922	5.009	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	ZINC000409182650	570159977	/nfs/dbraw/zinc/15/99/77/570159977.db2.gz	MNABJHSTABFBJB-UHFFFAOYSA-N	0	0	478.460	5.342	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)nc2ccccc21	ZINC000409182807	570159995	/nfs/dbraw/zinc/15/99/95/570159995.db2.gz	ODMDTEBRSQJBQL-MHZLTWQESA-N	0	0	494.528	6.653	40	5		JKBBRN
COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000409182609	570160007	/nfs/dbraw/zinc/16/00/07/570160007.db2.gz	NDPNIOLLWMXZJK-HHHXNRCGSA-N	0	0	490.512	5.106	40	5		JKBBRN
COc1cc(CNc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409183021	570160027	/nfs/dbraw/zinc/16/00/27/570160027.db2.gz	RKAUBEXKQCQNHQ-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O	ZINC000409182978	570160075	/nfs/dbraw/zinc/16/00/75/570160075.db2.gz	QBJBTBFCEUEYGD-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
CCc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409183121	570160164	/nfs/dbraw/zinc/16/01/64/570160164.db2.gz	QCEFAHOFXCAQIS-SANMLTNESA-N	0	0	460.486	5.043	40	5		JKBBRN
COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409183836	570160325	/nfs/dbraw/zinc/16/03/25/570160325.db2.gz	VKJDVNMZHFQTBS-UHFFFAOYSA-N	0	0	498.875	5.047	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	ZINC000409184714	570160481	/nfs/dbraw/zinc/16/04/81/570160481.db2.gz	ZVONYHKHJCKQNI-UHFFFAOYSA-N	0	0	478.460	5.342	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409188818	570161223	/nfs/dbraw/zinc/16/12/23/570161223.db2.gz	ATJULKCWAWYQJP-LPYMAVHISA-N	0	0	496.928	6.077	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409190207	570161720	/nfs/dbraw/zinc/16/17/20/570161720.db2.gz	PUWLUTLGNNOOSP-YBFXNURJSA-N	0	0	483.889	5.685	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000409193428	570162719	/nfs/dbraw/zinc/16/27/19/570162719.db2.gz	KNRLCGLMIHPJOH-VXAIQDGOSA-N	0	0	498.491	5.265	40	5		JKBBRN
O=C(Nc1cccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000409196689	570163733	/nfs/dbraw/zinc/16/37/33/570163733.db2.gz	YCUPPALWZVXSRC-UHFFFAOYSA-N	0	0	476.228	5.281	40	5		JKBBRN
Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000409197047	570163842	/nfs/dbraw/zinc/16/38/42/570163842.db2.gz	UTONPAPQNZPYSA-RWEWTDSWSA-N	0	0	484.364	6.377	40	5		JKBBRN
Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	ZINC000409197246	570163908	/nfs/dbraw/zinc/16/39/08/570163908.db2.gz	ZRDCESBDWRXWFH-FLWNBWAVSA-N	0	0	491.572	6.737	40	5		JKBBRN
Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000409198673	570164342	/nfs/dbraw/zinc/16/43/42/570164342.db2.gz	CTCMOWUJTWBHAM-RWEWTDSWSA-N	0	0	484.364	6.377	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409199022	570164431	/nfs/dbraw/zinc/16/44/31/570164431.db2.gz	AQYDREBTGSACFD-RGVLZGJSSA-N	0	0	497.916	6.075	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)o1	ZINC000409199979	570164889	/nfs/dbraw/zinc/16/48/89/570164889.db2.gz	GEEHLSCKJWRZHY-KGENOOAVSA-N	0	0	450.472	5.142	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409200538	570165089	/nfs/dbraw/zinc/16/50/89/570165089.db2.gz	IASTZPBVOPKZCQ-LFVJCYFKSA-N	0	0	490.537	5.461	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1	ZINC000409200774	570165179	/nfs/dbraw/zinc/16/51/79/570165179.db2.gz	JICVGZMUTCVABQ-KEBDBYFISA-N	0	0	497.872	6.190	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1C	ZINC000409201120	570165390	/nfs/dbraw/zinc/16/53/90/570165390.db2.gz	LVPGKIJRRXYUHG-IDUWFGFVSA-N	0	0	480.329	5.193	40	5		JKBBRN
CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409204106	570166740	/nfs/dbraw/zinc/16/67/40/570166740.db2.gz	BGJHBDQXDZHTFV-UHFFFAOYSA-N	0	0	481.763	7.145	40	5		JKBBRN
Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(Br)cc1	ZINC000409206466	570167343	/nfs/dbraw/zinc/16/73/43/570167343.db2.gz	ORFNHOXNLBIWEI-UZYVYHOESA-N	0	0	466.744	5.127	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409209123	570168634	/nfs/dbraw/zinc/16/86/34/570168634.db2.gz	HFSVYIKGANJEDV-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1	ZINC000409211390	570169933	/nfs/dbraw/zinc/16/99/33/570169933.db2.gz	LRERIZBLQQNZFO-CIAFOILYSA-N	0	0	466.902	6.068	40	5		JKBBRN
O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1cccc(Cl)c1	ZINC000409212190	570170384	/nfs/dbraw/zinc/17/03/84/570170384.db2.gz	NUJXXTYAHKMUFQ-VCHYOVAHSA-N	0	0	453.863	5.676	40	5		JKBBRN
Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N21	ZINC000261829852	570170549	/nfs/dbraw/zinc/17/05/49/570170549.db2.gz	UZEAWJJXHFUBFP-AHSYCRJWSA-N	0	0	469.932	5.669	40	5		JKBBRN
COCCN1C(=O)S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O	ZINC000409214685	570171779	/nfs/dbraw/zinc/17/17/79/570171779.db2.gz	ZVJPGQGZCGEYMA-LICLKQGHSA-N	0	0	468.409	5.089	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1CCc1ccccc1	ZINC000409217281	570173093	/nfs/dbraw/zinc/17/30/93/570173093.db2.gz	OPFXRTWZSQPFOD-XQNSMLJCSA-N	0	0	460.511	5.453	40	5		JKBBRN
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1	ZINC000409217374	570173140	/nfs/dbraw/zinc/17/31/40/570173140.db2.gz	PPZVKYZFGHOEJU-LPYMAVHISA-N	0	0	491.525	5.401	40	5		JKBBRN
Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1	ZINC000409221399	570174629	/nfs/dbraw/zinc/17/46/29/570174629.db2.gz	PUERDHXKMQWJRC-ODLFYWEKSA-N	0	0	482.290	5.019	40	5		JKBBRN
O=C(CN1C(=O)SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)c1ccccc1	ZINC000409225923	570175921	/nfs/dbraw/zinc/17/59/21/570175921.db2.gz	SXVOIZFANWEWRO-QFEZKATASA-N	0	0	497.532	5.517	40	5		JKBBRN
O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)c1ccccc1	ZINC000409226720	570176072	/nfs/dbraw/zinc/17/60/72/570176072.db2.gz	RVRXVNVMFCTRIL-RGVLZGJSSA-N	0	0	468.874	5.427	40	5		JKBBRN
Cc1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000409227456	570176319	/nfs/dbraw/zinc/17/63/19/570176319.db2.gz	YVDDQJUYPWDOIS-WSDLNYQXSA-N	0	0	462.483	5.391	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1Cl	ZINC000409229431	570177110	/nfs/dbraw/zinc/17/71/10/570177110.db2.gz	OYOMZQCBGXCOSN-ODLFYWEKSA-N	0	0	483.889	5.183	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409235312	570179427	/nfs/dbraw/zinc/17/94/27/570179427.db2.gz	ORRQCCGNDFXGIN-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
O=C1NC(=Cc2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1	ZINC000409235954	570179743	/nfs/dbraw/zinc/17/97/43/570179743.db2.gz	DLVIFUBTYXKKRV-LPYMAVHISA-N	0	0	472.888	5.349	40	5		JKBBRN
O=[N+]([O-])c1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1	ZINC000328968897	570179846	/nfs/dbraw/zinc/17/98/46/570179846.db2.gz	DBDNYBHCGNCFPP-UHFFFAOYSA-N	0	0	487.482	5.151	40	5		JKBBRN
CC(C)(C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329002833	570181113	/nfs/dbraw/zinc/18/11/13/570181113.db2.gz	KJTNRJYRVPBUKP-UHFFFAOYSA-N	0	0	461.444	5.773	40	5		JKBBRN
Cc1cccc(CN2C(=O)N/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)c1	ZINC000409239145	570181168	/nfs/dbraw/zinc/18/11/68/570181168.db2.gz	CDZXSRUUXGXGQA-WGOQTCKBSA-N	0	0	493.519	5.728	40	5		JKBBRN
O=C1NC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1	ZINC000409243260	570182854	/nfs/dbraw/zinc/18/28/54/570182854.db2.gz	RHNLCBLBEYVLIN-WOJGMQOQSA-N	0	0	480.820	5.046	40	5		JKBBRN
O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1	ZINC000329065418	570183544	/nfs/dbraw/zinc/18/35/44/570183544.db2.gz	XRHFESPINMFCBJ-UHFFFAOYSA-N	0	0	493.873	5.546	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000409245447	570183974	/nfs/dbraw/zinc/18/39/74/570183974.db2.gz	SZHOUVUPQCSZSW-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1	ZINC000409245877	570184107	/nfs/dbraw/zinc/18/41/07/570184107.db2.gz	AGXKQDBEFMGDKM-HMAPJEAMSA-N	0	0	462.552	6.291	40	5		JKBBRN
CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O	ZINC000409246210	570184284	/nfs/dbraw/zinc/18/42/84/570184284.db2.gz	GKSVVIHHGYNWQN-XDHOZWIPSA-N	0	0	476.938	5.672	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1	ZINC000408527909	570186592	/nfs/dbraw/zinc/18/65/92/570186592.db2.gz	FXYPAZQWKSJQIT-HMAPJEAMSA-N	0	0	462.552	6.291	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2nc3ccccc3s2)cc1Br	ZINC000409259128	570187235	/nfs/dbraw/zinc/18/72/35/570187235.db2.gz	WTEAXPWLQARIMB-UHFFFAOYSA-N	0	0	495.276	7.445	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1-c1nc2ccccc2s1	ZINC000409258496	570187265	/nfs/dbraw/zinc/18/72/65/570187265.db2.gz	UHTMMOVQZMTZIP-UHFFFAOYSA-N	0	0	495.276	7.445	40	5		JKBBRN
COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OCc1ccccc1[N+](=O)[O-]	ZINC000409262680	570187770	/nfs/dbraw/zinc/18/77/70/570187770.db2.gz	GKQGLHIGOYJXRY-UHFFFAOYSA-N	0	0	463.515	5.439	40	5		JKBBRN
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F	ZINC000408545266	570192816	/nfs/dbraw/zinc/19/28/16/570192816.db2.gz	XDSKOHIJTIZBGO-CMDGGOBGSA-N	0	0	477.286	5.941	40	5		JKBBRN
COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	ZINC000408552586	570195564	/nfs/dbraw/zinc/19/55/64/570195564.db2.gz	KAVATLXAHVKXSU-UHFFFAOYSA-N	0	0	471.307	5.506	40	5		JKBBRN
COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1	ZINC000408553825	570195957	/nfs/dbraw/zinc/19/59/57/570195957.db2.gz	PTCUAUPRADCGFG-UHFFFAOYSA-N	0	0	469.877	5.184	40	5		JKBBRN
CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1	ZINC000408555402	570196873	/nfs/dbraw/zinc/19/68/73/570196873.db2.gz	XGZRABOJWLNYNP-UHFFFAOYSA-N	0	0	483.904	5.574	40	5		JKBBRN
Cc1cccc(NC(=O)COc2ccc(Br)cc2CNc2cccc([N+](=O)[O-])c2)c1	ZINC000408556489	570197366	/nfs/dbraw/zinc/19/73/66/570197366.db2.gz	IZCZCXLDAFOQJA-UHFFFAOYSA-N	0	0	470.323	5.295	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc21	ZINC000408557387	570198216	/nfs/dbraw/zinc/19/82/16/570198216.db2.gz	NCFUXPAIMIJZEZ-UHFFFAOYSA-N	0	0	493.357	6.710	40	5		JKBBRN
COc1cc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)ccc1[N+](=O)[O-]	ZINC000408557949	570198658	/nfs/dbraw/zinc/19/86/58/570198658.db2.gz	QXDYUDVQVYISJA-UHFFFAOYSA-N	0	0	478.452	5.118	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1	ZINC000408558149	570198739	/nfs/dbraw/zinc/19/87/39/570198739.db2.gz	RWUKNYFYZHCKNY-UHFFFAOYSA-N	0	0	490.297	5.399	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1	ZINC000408558030	570198763	/nfs/dbraw/zinc/19/87/63/570198763.db2.gz	RPJABZMGZYBQMI-UHFFFAOYSA-N	0	0	461.287	5.696	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408558428	570198913	/nfs/dbraw/zinc/19/89/13/570198913.db2.gz	UOWAYWDCMCTAJN-UHFFFAOYSA-N	0	0	488.294	5.465	40	5		JKBBRN
O=C1CS[C@H](c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1	ZINC000408558961	570199463	/nfs/dbraw/zinc/19/94/63/570199463.db2.gz	WVSFQUOGCUKINR-JOCHJYFZSA-N	0	0	475.353	6.259	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408558981	570199468	/nfs/dbraw/zinc/19/94/68/570199468.db2.gz	TXZORFGRKYPGEL-UHFFFAOYSA-N	0	0	463.368	5.935	40	5		JKBBRN
Cc1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	ZINC000409315766	570200066	/nfs/dbraw/zinc/20/00/66/570200066.db2.gz	WEMPBVGEOKAERU-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	ZINC000408559900	570200094	/nfs/dbraw/zinc/20/00/94/570200094.db2.gz	WZLIKZYBFGBSPC-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1	ZINC000409320433	570201117	/nfs/dbraw/zinc/20/11/17/570201117.db2.gz	AWONMXURACKJRB-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408562120	570201486	/nfs/dbraw/zinc/20/14/86/570201486.db2.gz	MUYVAZLQGYYOFT-QOCHGBHMSA-N	0	0	480.771	5.610	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408564126	570202528	/nfs/dbraw/zinc/20/25/28/570202528.db2.gz	YAQYTAKCNRFGOW-FLFQWRMESA-N	0	0	480.373	5.764	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	ZINC000408564472	570202618	/nfs/dbraw/zinc/20/26/18/570202618.db2.gz	DDMNBCGEEMQPKF-DPQOWFAMSA-N	0	0	498.366	5.094	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc2ccccc21	ZINC000408564963	570202935	/nfs/dbraw/zinc/20/29/35/570202935.db2.gz	ATUBQHXHOAWWDA-AREMUKBSSA-N	0	0	466.537	6.707	40	5		JKBBRN
CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1	ZINC000408565102	570203054	/nfs/dbraw/zinc/20/30/54/570203054.db2.gz	BEMBSPODMSAFGU-IBGZPJMESA-N	0	0	477.384	5.155	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	ZINC000408565100	570203070	/nfs/dbraw/zinc/20/30/70/570203070.db2.gz	HRAWXSGSMMPZFZ-WSNNEZGNSA-N	0	0	498.366	5.094	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1F	ZINC000408565138	570203099	/nfs/dbraw/zinc/20/30/99/570203099.db2.gz	BHMSTYBRXZAFJI-HXUWFJFHSA-N	0	0	468.912	6.347	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(Cl)cc1	ZINC000408565345	570203186	/nfs/dbraw/zinc/20/31/86/570203186.db2.gz	BTGDTYBUHIEWQO-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1cccc(F)c1	ZINC000408565284	570203202	/nfs/dbraw/zinc/20/32/02/570203202.db2.gz	BNSVQGDNIOCDTG-OAQYLSRUSA-N	0	0	468.912	6.347	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(F)cc1	ZINC000408565903	570203523	/nfs/dbraw/zinc/20/35/23/570203523.db2.gz	DDYZQGLAODNBEI-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc2ccccc21	ZINC000408566344	570203762	/nfs/dbraw/zinc/20/37/62/570203762.db2.gz	FKJWUTPLPADNRQ-RUZDIDTESA-N	0	0	452.510	6.317	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc(F)cc1	ZINC000408566316	570203777	/nfs/dbraw/zinc/20/37/77/570203777.db2.gz	FHOZQWZXIYTZKU-FQEVSTJZSA-N	0	0	454.885	5.957	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(C)c(C)c1	ZINC000408567212	570203987	/nfs/dbraw/zinc/20/39/87/570203987.db2.gz	GTWDPQMEMKTLMW-RUZDIDTESA-N	0	0	492.576	6.021	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(F)cc1	ZINC000408567120	570204009	/nfs/dbraw/zinc/20/40/09/570204009.db2.gz	GNFXECWWQUXOLA-QHCPKHFHSA-N	0	0	482.512	5.543	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(F)cc1	ZINC000408567192	570204018	/nfs/dbraw/zinc/20/40/18/570204018.db2.gz	GRJTYIMDIPMIHS-FQEVSTJZSA-N	0	0	499.336	6.066	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(F)cc1	ZINC000408567118	570204038	/nfs/dbraw/zinc/20/40/38/570204038.db2.gz	GNFXECWWQUXOLA-HSZRJFAPSA-N	0	0	482.512	5.543	40	5		JKBBRN
CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1	ZINC000408567602	570204151	/nfs/dbraw/zinc/20/41/51/570204151.db2.gz	GYBGJKBVLCMBEU-RUZDIDTESA-N	0	0	490.585	5.664	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000408569062	570204283	/nfs/dbraw/zinc/20/42/83/570204283.db2.gz	INLVGNWVZWQRRP-OAQYLSRUSA-N	0	0	496.317	5.826	40	5		JKBBRN
O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1	ZINC000409331191	570204298	/nfs/dbraw/zinc/20/42/98/570204298.db2.gz	CVNGUWQZSWHNPD-LJQANCHMSA-N	0	0	470.536	5.901	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	ZINC000408569359	570204355	/nfs/dbraw/zinc/20/43/55/570204355.db2.gz	VVVAEURPYQOLKK-MQVPCNEGSA-N	0	0	498.366	5.094	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(F)cc1	ZINC000408569569	570204365	/nfs/dbraw/zinc/20/43/65/570204365.db2.gz	JOESDHGHKLICJT-QHCPKHFHSA-N	0	0	482.512	5.543	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(C)cc1	ZINC000408569145	570204373	/nfs/dbraw/zinc/20/43/73/570204373.db2.gz	IZAVGAGAOMJLCI-XMMPIXPASA-N	0	0	495.004	6.227	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(F)cc1	ZINC000408569565	570204409	/nfs/dbraw/zinc/20/44/09/570204409.db2.gz	JNVPXKFDLBSOPO-XMMPIXPASA-N	0	0	494.548	5.413	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1cccc(C)c1	ZINC000408570992	570204609	/nfs/dbraw/zinc/20/46/09/570204609.db2.gz	MPRMYFOLLMLBPM-DEOSSOPVSA-N	0	0	495.004	6.227	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(F)c1	ZINC000408570892	570204611	/nfs/dbraw/zinc/20/46/11/570204611.db2.gz	MFBAXBVGPGHQMX-XMMPIXPASA-N	0	0	494.548	5.413	40	5		JKBBRN
CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1	ZINC000408570916	570204639	/nfs/dbraw/zinc/20/46/39/570204639.db2.gz	MHTOKVVCFAWQMR-RUZDIDTESA-N	0	0	490.585	5.664	40	5		JKBBRN
CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC	ZINC000408570659	570204643	/nfs/dbraw/zinc/20/46/43/570204643.db2.gz	LUJCNRDEYKYFRM-JOCHJYFZSA-N	0	0	456.568	5.100	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1F	ZINC000408571165	570204685	/nfs/dbraw/zinc/20/46/85/570204685.db2.gz	NYUNAUQNGKBSPK-IBGZPJMESA-N	0	0	499.336	6.066	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(F)cc1	ZINC000408571296	570204688	/nfs/dbraw/zinc/20/46/88/570204688.db2.gz	OHFILAUUPJFIBZ-QHCPKHFHSA-N	0	0	482.512	5.543	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(F)cc1	ZINC000408571295	570204699	/nfs/dbraw/zinc/20/46/99/570204699.db2.gz	OHFILAUUPJFIBZ-HSZRJFAPSA-N	0	0	482.512	5.543	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(C)cc1	ZINC000408572007	570204842	/nfs/dbraw/zinc/20/48/42/570204842.db2.gz	QJHHGPAXBCFIKI-DEOSSOPVSA-N	0	0	495.004	6.227	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccccc1	ZINC000408572312	570204878	/nfs/dbraw/zinc/20/48/78/570204878.db2.gz	QVTGJPQRAUSOSZ-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(F)cc1	ZINC000408572159	570204918	/nfs/dbraw/zinc/20/49/18/570204918.db2.gz	QRWMJYUWOIGOKS-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
Cc1ccc(COc2c(Cl)cc([C@H](C[N+](=O)[O-])c3c[nH]c4ccccc43)cc2Cl)cc1	ZINC000408572427	570204947	/nfs/dbraw/zinc/20/49/47/570204947.db2.gz	RDSZWQBJPRPOBF-FQEVSTJZSA-N	0	0	455.341	6.771	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1	ZINC000408572666	570205002	/nfs/dbraw/zinc/20/50/02/570205002.db2.gz	RRCRVTNACLVSJQ-XMMPIXPASA-N	0	0	494.548	5.413	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1cccc(F)c1	ZINC000408572984	570205061	/nfs/dbraw/zinc/20/50/61/570205061.db2.gz	RZZJTMCGZCGAGC-HXUWFJFHSA-N	0	0	454.885	5.957	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(F)cc1	ZINC000408573060	570205121	/nfs/dbraw/zinc/20/51/21/570205121.db2.gz	SHKJJUBTLWHSKR-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccccc1	ZINC000408573162	570205124	/nfs/dbraw/zinc/20/51/24/570205124.db2.gz	SQWDRZXPPHDQGP-QHCPKHFHSA-N	0	0	480.977	5.918	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccccc1	ZINC000408573104	570205125	/nfs/dbraw/zinc/20/51/25/570205125.db2.gz	SLVJZYGJSOTUND-QHCPKHFHSA-N	0	0	464.522	5.404	40	5		JKBBRN
CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1Cl	ZINC000408573463	570205182	/nfs/dbraw/zinc/20/51/82/570205182.db2.gz	SYDLNWKVXKDNED-KRWDZBQOSA-N	0	0	453.351	5.391	40	5		JKBBRN
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1Cl	ZINC000408573355	570205199	/nfs/dbraw/zinc/20/51/99/570205199.db2.gz	CHRLIVJMMXUWEE-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1	ZINC000408573691	570205240	/nfs/dbraw/zinc/20/52/40/570205240.db2.gz	UDDATKIBTZPWNG-LJQANCHMSA-N	0	0	477.384	5.074	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(C)c(C)c1	ZINC000408574045	570205343	/nfs/dbraw/zinc/20/53/43/570205343.db2.gz	UMGRSMMMXWRDHM-RUZDIDTESA-N	0	0	492.576	6.021	40	5		JKBBRN
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)ccc1[N+](=O)[O-]	ZINC000408574019	570205365	/nfs/dbraw/zinc/20/53/65/570205365.db2.gz	HEIBGTVHDPZINV-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1Cl	ZINC000408574039	570205369	/nfs/dbraw/zinc/20/53/69/570205369.db2.gz	HOUQBUAQMBQHCV-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1F	ZINC000408574457	570205398	/nfs/dbraw/zinc/20/53/98/570205398.db2.gz	UVPRAESGHMACRP-XMMPIXPASA-N	0	0	494.548	5.413	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(C)cc1	ZINC000408574538	570205463	/nfs/dbraw/zinc/20/54/63/570205463.db2.gz	VDJFSYLJIJFYPB-XMMPIXPASA-N	0	0	460.559	5.573	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(F)cc1	ZINC000408575075	570205593	/nfs/dbraw/zinc/20/55/93/570205593.db2.gz	VYJPYSGNSMJMBW-QHCPKHFHSA-N	0	0	482.512	5.543	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(Cl)cc1	ZINC000408577085	570206091	/nfs/dbraw/zinc/20/60/91/570206091.db2.gz	YNWTZDREMVVKEY-XMMPIXPASA-N	0	0	495.004	6.227	40	5		JKBBRN
O=C(CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1	ZINC000408582024	570206915	/nfs/dbraw/zinc/20/69/15/570206915.db2.gz	LDQZTGHRYBHSMV-UHFFFAOYSA-N	0	0	498.280	5.808	40	5		JKBBRN
O=c1oc2ccccc2cc1C1=Nc2ccccc2S[C@H](c2c3ccccc3cc3ccccc32)C1	ZINC000012360323	291603873	/nfs/dbraw/zinc/60/38/73/291603873.db2.gz	PHTMIOQKPAPPOD-PMERELPUSA-N	0	0	483.592	8.457	40	5		JKBBRN
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3c4ccccc4cc4ccccc43)C2=O)c1	ZINC000000980495	193996366	/nfs/dbraw/zinc/99/63/66/193996366.db2.gz	PNCTYNGMMPRYSW-IWIPYMOSSA-N	0	0	452.535	5.976	40	5		JKBBRN
Brc1ccc2[nH]c3nc4c(Br)cc(Br)cc4nc3c2c1	ZINC000001092801	194022372	/nfs/dbraw/zinc/02/23/72/194022372.db2.gz	KVLKAAUDJHOMKB-UHFFFAOYSA-N	0	0	455.935	5.552	40	5		JKBBRN
Cc1cc(C)c2cc3c(nc2c1)sc1c3ncnc1SCC(=O)NCc1cccs1	ZINC000001327838	194088270	/nfs/dbraw/zinc/08/82/70/194088270.db2.gz	MDWHTIYZHCGFHW-UHFFFAOYSA-N	0	0	450.614	5.480	40	5		JKBBRN
Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)N1c2ccccc2C[C@H]1C	ZINC000001327844	194088194	/nfs/dbraw/zinc/08/81/94/194088194.db2.gz	NVZHWGBIRDLBNI-OAHLLOKOSA-N	0	0	456.596	5.771	40	5		JKBBRN
Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)NCc4cccs4)c3cc2c1	ZINC000001327837	194088230	/nfs/dbraw/zinc/08/82/30/194088230.db2.gz	CDDSLVWVUPFPKW-UHFFFAOYSA-N	0	0	450.614	5.480	40	5		JKBBRN
CCOC(=O)c1cnc2c3[nH]c4ccc(Br)cc4c3cc(Br)c2c1Cl	ZINC000001567228	194128013	/nfs/dbraw/zinc/12/80/13/194128013.db2.gz	AXAIRFHZCRKHEI-UHFFFAOYSA-N	0	0	482.559	6.224	40	5		JKBBRN
COC(=O)c1c(-c2ccccc2)cc2c3cc(-c4ccccc4)c(C(=O)OC)n3c3ccccc3n21	ZINC000001628621	194129754	/nfs/dbraw/zinc/12/97/54/194129754.db2.gz	BFFOXZBJILCARI-UHFFFAOYSA-N	0	0	474.516	6.252	40	5		JKBBRN
Clc1nc2cc(Br)c(Br)cc2c2ccc(Br)cc12	ZINC000001722493	194132213	/nfs/dbraw/zinc/13/22/13/194132213.db2.gz	RAYVUAJIWMUQRQ-UHFFFAOYSA-N	0	0	450.355	6.329	40	5		JKBBRN
CCCn1c2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)n2c2ccccc2c1=O	ZINC000003375475	194307284	/nfs/dbraw/zinc/30/72/84/194307284.db2.gz	LHOHNDVZIVBQOU-UHFFFAOYSA-N	0	0	468.538	5.006	40	5		JKBBRN
O=C(Oc1c2ccc([N+](=O)[O-])cc2n(C(=O)c2ccccc2)c1-c1ccccc1)c1ccccc1	ZINC000003844602	194364036	/nfs/dbraw/zinc/36/40/36/194364036.db2.gz	KEAWUUOYHLSPTF-UHFFFAOYSA-N	0	0	462.461	6.124	40	5		JKBBRN
Clc1c(Cl)c(Cl)c2c(c1Cl)OC[C@H](c1ccc3cc4ccccc4cc3c1)O2	ZINC000003844426	194364079	/nfs/dbraw/zinc/36/40/79/194364079.db2.gz	DGUGRHYLLRMJBK-MRXNPFEDSA-N	0	0	450.148	8.119	40	5		JKBBRN
CCCc1cc2nc1ccc1[nH]c(cc1CCC)c1cc(CCC)c(ccc3[nH]c2cc3CCC)n1	ZINC000003847137	194364323	/nfs/dbraw/zinc/36/43/23/194364323.db2.gz	QMBOWCIYCNOEAU-UHFFFAOYSA-N	0	0	478.684	8.680	40	5		JKBBRN
CCCc1c(CCC)c2ccc([nH]2)c2ccc(n2)c(CCC)c(CCC)c2ccc([nH]2)c2ccc1n2	ZINC000003847138	194364339	/nfs/dbraw/zinc/36/43/39/194364339.db2.gz	MAVXPCQZWFTYRZ-UHFFFAOYSA-N	0	0	478.684	8.680	40	5		JKBBRN
Cn1c(=O)c2ccc3c4ccc5c6nc7ccccc7n6c(=O)c6ccc(c7ccc(c2c37)c1=O)c4c56	ZINC000005706912	194407039	/nfs/dbraw/zinc/40/70/39/194407039.db2.gz	CHAPEJMGBAWRFE-UHFFFAOYSA-N	0	0	477.479	5.139	40	5		JKBBRN
CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610281	195183292	/nfs/dbraw/zinc/18/32/92/195183292.db2.gz	BFTOROQZNFBAAZ-DTQAZKPQSA-N	0	0	495.495	5.639	40	5		JKBBRN
CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000020610147	195183361	/nfs/dbraw/zinc/18/33/61/195183361.db2.gz	YKAJSJRFMGHCCC-UHFFFAOYSA-N	0	0	470.533	5.134	40	5		JKBBRN
CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000020610589	195183529	/nfs/dbraw/zinc/18/35/29/195183529.db2.gz	HEQHMHKTGDBKMT-UHFFFAOYSA-N	0	0	470.533	5.305	40	5		JKBBRN
CCc1nc(SCc2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)n[nH]1	ZINC000020611430	195185208	/nfs/dbraw/zinc/18/52/08/195185208.db2.gz	IWEKMPQAJWVACK-UHFFFAOYSA-N	0	0	473.967	5.688	40	5		JKBBRN
CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1	ZINC000020671790	195198685	/nfs/dbraw/zinc/19/86/85/195198685.db2.gz	ZZFMMAODYBQIDL-LJQANCHMSA-N	0	0	473.558	5.361	40	5		JKBBRN
O=C(c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000020759059	195216867	/nfs/dbraw/zinc/21/68/67/195216867.db2.gz	ISKOQFXSECZSKS-DHZHZOJOSA-N	0	0	498.586	5.063	40	5	biogenic	JKBBRN
Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000020797360	195226037	/nfs/dbraw/zinc/22/60/37/195226037.db2.gz	FYGZNPJSOKWVKZ-QHCPKHFHSA-N	0	0	473.920	5.834	40	5		JKBBRN
Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000020797357	195226099	/nfs/dbraw/zinc/22/60/99/195226099.db2.gz	FYGZNPJSOKWVKZ-HSZRJFAPSA-N	0	0	473.920	5.834	40	5		JKBBRN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1	ZINC000020969966	195257401	/nfs/dbraw/zinc/25/74/01/195257401.db2.gz	AGSDRFYPEDUQOA-JOCHJYFZSA-N	0	0	477.883	5.665	40	5		JKBBRN
CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020970179	195257591	/nfs/dbraw/zinc/25/75/91/195257591.db2.gz	KMWDXCOAKYKNGV-XMMPIXPASA-N	0	0	453.502	5.435	40	5		JKBBRN
CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000020970353	195257674	/nfs/dbraw/zinc/25/76/74/195257674.db2.gz	JHLRPPKJNRYALT-DEOSSOPVSA-N	0	0	469.501	5.271	40	5		JKBBRN
CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1	ZINC000021005498	195265762	/nfs/dbraw/zinc/26/57/62/195265762.db2.gz	PXKKIHMUKRXSNO-JOCHJYFZSA-N	0	0	459.893	5.526	40	5		JKBBRN
CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl	ZINC000021005578	195265769	/nfs/dbraw/zinc/26/57/69/195265769.db2.gz	GSVWDSLHHGLUCD-HSZRJFAPSA-N	0	0	474.904	5.587	40	5		JKBBRN
Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cccc1[N+](=O)[O-]	ZINC000021305751	195293722	/nfs/dbraw/zinc/29/37/22/195293722.db2.gz	ULEHLPRDUUNWBD-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2cc1C	ZINC000021578702	195316436	/nfs/dbraw/zinc/31/64/36/195316436.db2.gz	YAJGUDGRWIERMM-UHFFFAOYSA-N	0	0	486.528	5.417	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5cc(C)c(C)cc5o4)ccc3C)o2)c([N+](=O)[O-])c1	ZINC000021578780	195316681	/nfs/dbraw/zinc/31/66/81/195316681.db2.gz	XRXHLZNDIIAPIG-UHFFFAOYSA-N	0	0	497.507	6.849	40	5		JKBBRN
COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1	ZINC000021579339	195316818	/nfs/dbraw/zinc/31/68/18/195316818.db2.gz	RDKXOEDMGMQBIS-UHFFFAOYSA-N	0	0	455.426	5.924	40	5		JKBBRN
CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1	ZINC000021595551	195317801	/nfs/dbraw/zinc/31/78/01/195317801.db2.gz	ZFXYGLSVXAKMFI-DHZHZOJOSA-N	0	0	465.937	6.396	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)cc2[N+](=O)[O-])CC1	ZINC000021595493	195317880	/nfs/dbraw/zinc/31/78/80/195317880.db2.gz	OJKXFCPYGAMEIX-UHFFFAOYSA-N	0	0	456.502	5.892	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)c(C)c1	ZINC000021595562	195317898	/nfs/dbraw/zinc/31/78/98/195317898.db2.gz	OFCHVSSPPFELKE-UHFFFAOYSA-N	0	0	477.929	7.140	40	5		JKBBRN
Cc1cc(C)cc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)c1	ZINC000059294038	195396670	/nfs/dbraw/zinc/39/66/70/195396670.db2.gz	UJYWKJUVFHLWDN-UHFFFAOYSA-N	0	0	477.929	7.140	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5F)nc4c3)cc2[N+](=O)[O-])CC1	ZINC000059294080	195396769	/nfs/dbraw/zinc/39/67/69/195396769.db2.gz	YNHSBDZDRCGYOQ-UHFFFAOYSA-N	0	0	474.492	6.031	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(C(=S)N3CCOCC3)c2-c2ccccc2)cc1	ZINC000059427700	195401644	/nfs/dbraw/zinc/40/16/44/195401644.db2.gz	DERZDAGGDSXNLH-UHFFFAOYSA-N	0	0	469.566	5.727	40	5		JKBBRN
O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1	ZINC000059474794	195403965	/nfs/dbraw/zinc/40/39/65/195403965.db2.gz	SAQJCBBSRNPZOE-UHFFFAOYSA-N	0	0	492.582	5.507	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1	ZINC000059489692	195407102	/nfs/dbraw/zinc/40/71/02/195407102.db2.gz	GVHYSNVABNPALP-UHFFFAOYSA-N	0	0	469.519	5.897	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1	ZINC000059855217	195412769	/nfs/dbraw/zinc/41/27/69/195412769.db2.gz	TZATUGIGPOJQFY-UHFFFAOYSA-N	0	0	498.611	5.631	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl	ZINC000106683260	195457274	/nfs/dbraw/zinc/45/72/74/195457274.db2.gz	OSSBQUVVDQBJCA-NVNXTCNLSA-N	0	0	453.701	5.247	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc(C)c1	ZINC000106722592	195460473	/nfs/dbraw/zinc/46/04/73/195460473.db2.gz	JEZQDUDBDYKFQT-OYKKKHCWSA-N	0	0	490.537	5.727	40	5		JKBBRN
C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224879142	195473490	/nfs/dbraw/zinc/47/34/90/195473490.db2.gz	CXMAZBSWPQSHGL-MRXNPFEDSA-N	0	0	492.403	5.310	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000020456487	519021136	/nfs/dbraw/zinc/02/11/36/519021136.db2.gz	SAYZVGICKHCBNG-UHFFFAOYSA-N	0	0	467.547	5.087	40	5		JKBBRN
CC(=O)Nc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1	ZINC000016321171	519709120	/nfs/dbraw/zinc/70/91/20/519709120.db2.gz	CPYSMMUXFLBEJH-IKPAITLHSA-N	0	0	461.546	7.054	40	5		JKBBRN
CC(C)COC(=O)c1cc2cccc3c4cccc5cccc(c54)c(c1C(=O)OCC(C)C)c23	ZINC000083411148	519750872	/nfs/dbraw/zinc/75/08/72/519750872.db2.gz	SDKNPMBAQGMLAD-UHFFFAOYSA-N	0	0	452.550	7.363	40	5		JKBBRN
CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1	ZINC000032111841	519840831	/nfs/dbraw/zinc/84/08/31/519840831.db2.gz	TXLUODTWKMNMDD-UHFFFAOYSA-N	0	0	460.515	5.653	40	5		JKBBRN
CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3cccc(C)c3C)cc([N+](=O)[O-])c2)cc1	ZINC000020176911	521180407	/nfs/dbraw/zinc/18/04/07/521180407.db2.gz	DWNLYGIFCPQJFU-UHFFFAOYSA-N	0	0	465.531	5.781	40	5		JKBBRN
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1	ZINC000020258335	523106612	/nfs/dbraw/zinc/10/66/12/523106612.db2.gz	YRUMQBNGOXJQKM-UHFFFAOYSA-N	0	0	498.870	5.463	40	5		JKBBRN
Cc1cccc(NCc2nnc(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)n2-c2ccccc2)c1	ZINC000020408337	524688111	/nfs/dbraw/zinc/68/81/11/524688111.db2.gz	PUPUDQJTXICDTJ-UHFFFAOYSA-N	0	0	471.546	5.265	40	5		JKBBRN
Cc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c([N+](=O)[O-])c1	ZINC000024522183	524931024	/nfs/dbraw/zinc/93/10/24/524931024.db2.gz	CULLILOECVSYHZ-UHFFFAOYSA-N	0	0	464.433	6.474	40	5		JKBBRN
Cc1ccc(NCc2nnc(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)n2-c2ccccc2)cc1	ZINC000020367890	525289651	/nfs/dbraw/zinc/28/96/51/525289651.db2.gz	MQTYCDMJPVTPBH-UHFFFAOYSA-N	0	0	471.546	5.265	40	5		JKBBRN
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1	ZINC000020459493	525602338	/nfs/dbraw/zinc/60/23/38/525602338.db2.gz	JVBBXIJBGIZZSU-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
O=C(Oc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccccc43)CC2)c1)c1ccccc1	ZINC000026522408	526445875	/nfs/dbraw/zinc/44/58/75/526445875.db2.gz	AIBKONTYPMRBGL-UHFFFAOYSA-N	0	0	487.559	5.570	40	5		JKBBRN
Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc([N+](=O)[O-])c2)c2ccccc2)c1C	ZINC000026770799	526884313	/nfs/dbraw/zinc/88/43/13/526884313.db2.gz	FNPMKAZZCWIIST-XMMPIXPASA-N	0	0	457.555	6.727	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000020457499	527261756	/nfs/dbraw/zinc/26/17/56/527261756.db2.gz	FKXFNDJPLVZHPP-UHFFFAOYSA-N	0	0	498.451	5.800	40	5		JKBBRN
Nc1ccc2c(c1)nc1ccccc1c2SCCSc1c2ccccc2nc2cc(N)ccc21	ZINC000005615616	527509044	/nfs/dbraw/zinc/50/90/44/527509044.db2.gz	MRJHDAKEJAELBN-UHFFFAOYSA-N	0	0	478.646	7.138	40	5		JKBBRN
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(-c2ncc(-c3ccccc3)o2)cc1	ZINC000000821792	553786745	/nfs/dbraw/zinc/78/67/45/553786745.db2.gz	RROIJFQBYTWPAL-UHFFFAOYSA-N	0	0	461.433	5.871	40	5		JKBBRN
O=C(Nc1cccc(OC(=O)c2ccc(Oc3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000000832267	553790736	/nfs/dbraw/zinc/79/07/36/553790736.db2.gz	NIWFZYKXLSFGKP-UHFFFAOYSA-N	0	0	454.438	5.859	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C(=O)c1sc2ccccc2c1Cl)C1CCCCC1	ZINC000000853527	553799113	/nfs/dbraw/zinc/79/91/13/553799113.db2.gz	GTYRVNPQBSCFFY-UHFFFAOYSA-N	0	0	485.993	6.185	40	5		JKBBRN
O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1Cl	ZINC000000857097	553800867	/nfs/dbraw/zinc/80/08/67/553800867.db2.gz	BGTWICJQLSKVLL-UHFFFAOYSA-N	0	0	482.707	5.429	40	5		JKBBRN
O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1	ZINC000000882916	553819772	/nfs/dbraw/zinc/81/97/72/553819772.db2.gz	QVBDZNHCYNSFMA-UHFFFAOYSA-N	0	0	494.964	5.172	40	5		JKBBRN
CCCC/C(Br)=C(/Br)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001600699	553980183	/nfs/dbraw/zinc/98/01/83/553980183.db2.gz	QOICWSKPFGEAMF-YPKPFQOOSA-N	0	0	480.109	5.242	40	5		JKBBRN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@@H](C(Cl)(Cl)Cl)O[C@@H]2C(Cl)(Cl)Cl	ZINC000001615449	553980484	/nfs/dbraw/zinc/98/04/84/553980484.db2.gz	FHFYDARLLMBMPK-JGVFFNPUSA-N	0	0	460.868	5.020	40	5		JKBBRN
O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccc3c(c2)[C@@H](O)c2ccccc2-3)cc1	ZINC000001608854	553980494	/nfs/dbraw/zinc/98/04/94/553980494.db2.gz	HSIQHLQAKLYRAP-MHZLTWQESA-N	0	0	467.481	5.772	40	5		JKBBRN
CC(=O)Nc1ccc2c(cccc2[N+](=O)[O-])c1-c1c(NC(C)=O)ccc2c1cccc2[N+](=O)[O-]	ZINC000001610573	553980511	/nfs/dbraw/zinc/98/05/11/553980511.db2.gz	HJROUXUOYTYMDG-UHFFFAOYSA-N	0	0	458.430	5.393	40	5		JKBBRN
COc1ccc(OC)c(/C=C/c2cc(/C=C/c3cc(OC)ccc3OC)c([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000001714442	553984736	/nfs/dbraw/zinc/98/47/36/553984736.db2.gz	NCPLDOOQUOIPTK-KQQUZDAGSA-N	0	0	492.484	5.878	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000001860228	553997573	/nfs/dbraw/zinc/99/75/73/553997573.db2.gz	JDNYEIMNRFKYBI-AWEZNQCLSA-N	0	0	463.921	7.131	40	5		JKBBRN
CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000001916428	554003820	/nfs/dbraw/zinc/00/38/20/554003820.db2.gz	LMXYHSUJJQBCLF-UHFFFAOYSA-N	0	0	490.379	5.796	40	5		JKBBRN
CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)cc1	ZINC000002188105	554084185	/nfs/dbraw/zinc/08/41/85/554084185.db2.gz	WIZPILKXRNDVFI-HZHRSRAPSA-N	0	0	470.481	5.456	40	5		JKBBRN
Cc1ccc(-n2nc3ccccc3n2)cc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	ZINC000002548203	554235436	/nfs/dbraw/zinc/23/54/36/554235436.db2.gz	CAIHNOBYYSMXJC-UHFFFAOYSA-N	0	0	453.458	5.458	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000002744294	554323027	/nfs/dbraw/zinc/32/30/27/554323027.db2.gz	QNCNBHGULSXKBW-WQRHYEAKSA-N	0	0	484.917	5.632	40	5		JKBBRN
O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc2ccccc21	ZINC000002751243	554326390	/nfs/dbraw/zinc/32/63/90/554326390.db2.gz	PMYUNBICVBQAND-UHFFFAOYSA-N	0	0	455.469	7.410	40	5		JKBBRN
Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)c2ccccc2)c1	ZINC000003015446	554423343	/nfs/dbraw/zinc/42/33/43/554423343.db2.gz	BKFGKLZRXTXECI-UHFFFAOYSA-N	0	0	479.492	5.639	40	5		JKBBRN
O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	ZINC000003143806	554426985	/nfs/dbraw/zinc/42/69/85/554426985.db2.gz	JQBPXHSHWFMRSH-QOMWVZHYSA-N	0	0	477.520	5.272	40	5		JKBBRN
O=C(OCC(F)(F)C(F)F)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1	ZINC000003146085	554427732	/nfs/dbraw/zinc/42/77/32/554427732.db2.gz	QFFMRIMSAZICPA-UHFFFAOYSA-N	0	0	499.800	6.890	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccccc4Cl)n3-c3ccccc3)c[nH]c2c1	ZINC000003667545	554469839	/nfs/dbraw/zinc/46/98/39/554469839.db2.gz	WXBNGNUEEFNPSM-UHFFFAOYSA-N	0	0	461.934	6.270	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccc3ccccc23)cc1/C=C\c1cccc2ccccc12	ZINC000005080560	554486265	/nfs/dbraw/zinc/48/62/65/554486265.db2.gz	RGHATJSZJXJOTP-IQRFGFHNSA-N	0	0	472.500	8.150	40	5		JKBBRN
O=[N+]([O-])/C=C/c1cn(CCCCCCCCn2cc(/C=C/[N+](=O)[O-])c3ccccc32)c2ccccc12	ZINC000005741532	554493546	/nfs/dbraw/zinc/49/35/46/554493546.db2.gz	AOHDCEYPGMZIKQ-MXWIWYRXSA-N	0	0	486.572	7.132	40	5		JKBBRN
CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000005945000	554497163	/nfs/dbraw/zinc/49/71/63/554497163.db2.gz	XIDFETJJECSENZ-UHFFFAOYSA-N	0	0	470.529	6.379	40	5		JKBBRN
CC(=O)Oc1ccc2ccccc2c1[C@@H](NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000006074026	554501757	/nfs/dbraw/zinc/50/17/57/554501757.db2.gz	SPVVKABHUIDWRR-MHZLTWQESA-N	0	0	454.482	5.122	40	5		JKBBRN
C[C@H](Sc1nnc(C2CCCCC2)n1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000006177160	554514688	/nfs/dbraw/zinc/51/46/88/554514688.db2.gz	UCAVKFJTLNAAKP-HNNXBMFYSA-N	0	0	485.997	5.996	40	5		JKBBRN
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1	ZINC000006246613	554523170	/nfs/dbraw/zinc/52/31/70/554523170.db2.gz	MPONSKWNNSGYCC-KRWDZBQOSA-N	0	0	459.531	5.270	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1	ZINC000006280184	554524506	/nfs/dbraw/zinc/52/45/06/554524506.db2.gz	AXWMVAKCIKCZLJ-UHFFFAOYSA-N	0	0	479.949	5.535	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000006297376	554528846	/nfs/dbraw/zinc/52/88/46/554528846.db2.gz	CONHCSICRSXMBL-UHFFFAOYSA-N	0	0	494.554	5.016	40	5		JKBBRN
Cc1cccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1	ZINC000006442623	554536760	/nfs/dbraw/zinc/53/67/60/554536760.db2.gz	BRXHFTRQFVGZKU-SFHVURJKSA-N	0	0	488.573	5.215	40	5		JKBBRN
Cc1cccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1	ZINC000006442645	554536765	/nfs/dbraw/zinc/53/67/65/554536765.db2.gz	BRXHFTRQFVGZKU-GOSISDBHSA-N	0	0	488.573	5.215	40	5		JKBBRN
Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2cccc(Cl)c2)c1	ZINC000006442744	554537246	/nfs/dbraw/zinc/53/72/46/554537246.db2.gz	QFMFRHIVOCVUQA-UHFFFAOYSA-N	0	0	479.949	5.535	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000006474718	554544333	/nfs/dbraw/zinc/54/43/33/554544333.db2.gz	JJNQDZKAWCCYEK-UHFFFAOYSA-N	0	0	465.922	5.227	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc(Cl)c1	ZINC000006474757	554544575	/nfs/dbraw/zinc/54/45/75/554544575.db2.gz	AGZIUBCTYDSOIV-UHFFFAOYSA-N	0	0	465.922	5.227	40	5		JKBBRN
CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)c2c1	ZINC000006631075	554556409	/nfs/dbraw/zinc/55/64/09/554556409.db2.gz	OHOUIMLYKAGELX-UHFFFAOYSA-N	0	0	490.541	5.343	40	5		JKBBRN
CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)nc2c3ccccc3ccc12	ZINC000006860424	554559145	/nfs/dbraw/zinc/55/91/45/554559145.db2.gz	HDZKNFGAVRCTPT-UHFFFAOYSA-N	0	0	463.606	7.052	40	5		JKBBRN
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1	ZINC000007060202	554563634	/nfs/dbraw/zinc/56/36/34/554563634.db2.gz	GCYPHNFEEFGGGB-UHFFFAOYSA-N	0	0	491.813	5.238	40	5		JKBBRN
Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c(C)c1	ZINC000008831114	554721171	/nfs/dbraw/zinc/72/11/71/554721171.db2.gz	RRZUBPYSZPZTTL-UHFFFAOYSA-N	0	0	452.517	5.208	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cc(Br)ccc1Cl	ZINC000008831312	554721825	/nfs/dbraw/zinc/72/18/25/554721825.db2.gz	JVHBBWDXXXAQCE-UHFFFAOYSA-N	0	0	463.140	5.099	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl	ZINC000008831905	554724447	/nfs/dbraw/zinc/72/44/47/554724447.db2.gz	DOKQJALWZJAEAG-RUDMXATFSA-N	0	0	454.269	6.362	40	5		JKBBRN
Cc1cc2nc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C	ZINC000008831953	554724641	/nfs/dbraw/zinc/72/46/41/554724641.db2.gz	FJROTLSCPYDFCK-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000008831994	554724901	/nfs/dbraw/zinc/72/49/01/554724901.db2.gz	HIQHTYPHLOTMRR-KPKJPENVSA-N	0	0	457.486	6.187	40	5		JKBBRN
COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1OC	ZINC000008832064	554725084	/nfs/dbraw/zinc/72/50/84/554725084.db2.gz	HDRDENHRTXOABW-UHFFFAOYSA-N	0	0	451.460	5.248	40	5		JKBBRN
Cc1cc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)ccc1[N+](=O)[O-]	ZINC000008832114	554725273	/nfs/dbraw/zinc/72/52/73/554725273.db2.gz	FWDPVEYCPAMBRF-UHFFFAOYSA-N	0	0	457.873	6.770	40	5		JKBBRN
CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000008832173	554725441	/nfs/dbraw/zinc/72/54/41/554725441.db2.gz	ZMYRYIIXNKCAQT-YRNVUSSQSA-N	0	0	461.909	5.505	40	5		JKBBRN
Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008832228	554725883	/nfs/dbraw/zinc/72/58/83/554725883.db2.gz	PDNKHBFPDIHIJF-YCRREMRBSA-N	0	0	451.845	5.082	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O	ZINC000008832388	554726551	/nfs/dbraw/zinc/72/65/51/554726551.db2.gz	RVJZGFAKIVURKV-UHFFFAOYSA-N	0	0	469.497	5.529	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1C	ZINC000008833091	554729607	/nfs/dbraw/zinc/72/96/07/554729607.db2.gz	YAROVTGERGJLMJ-UXBLZVDNSA-N	0	0	490.368	6.305	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F	ZINC000008833308	554730510	/nfs/dbraw/zinc/73/05/10/554730510.db2.gz	HRKVPOOQWMQMHE-ZZXKWVIFSA-N	0	0	480.304	5.827	40	5		JKBBRN
CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3O)nc2c1	ZINC000008835208	554733787	/nfs/dbraw/zinc/73/37/87/554733787.db2.gz	FIPBEKUBMABLBQ-UHFFFAOYSA-N	0	0	476.514	5.106	40	5		JKBBRN
COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1[N+](=O)[O-]	ZINC000008835344	554734199	/nfs/dbraw/zinc/73/41/99/554734199.db2.gz	PCXYWZKJIOLQST-UHFFFAOYSA-N	0	0	476.514	5.155	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	ZINC000008835494	554734623	/nfs/dbraw/zinc/73/46/23/554734623.db2.gz	VAUBWFOPSNOERY-WEVVVXLNSA-N	0	0	492.340	5.697	40	5		JKBBRN
COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1	ZINC000008836550	554736646	/nfs/dbraw/zinc/73/66/46/554736646.db2.gz	VNLGKTVCIIXHRS-NDBXHCKUSA-N	0	0	460.917	5.245	40	5		JKBBRN
Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000008894824	554784280	/nfs/dbraw/zinc/78/42/80/554784280.db2.gz	QSJWQCFXVFEWBQ-UHFFFAOYSA-N	0	0	496.552	5.226	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000008895125	554784685	/nfs/dbraw/zinc/78/46/85/554784685.db2.gz	NHRLRPHZZMEQGI-UHFFFAOYSA-N	0	0	484.748	6.250	40	5		JKBBRN
C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	ZINC000008898483	554788893	/nfs/dbraw/zinc/78/88/93/554788893.db2.gz	GLJHKYPMWNIGDM-SFHVURJKSA-N	0	0	481.622	5.091	40	5		JKBBRN
O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000008898644	554789386	/nfs/dbraw/zinc/78/93/86/554789386.db2.gz	MNVKVFGQNWTGQX-UHFFFAOYSA-N	0	0	480.735	5.777	40	5		JKBBRN
O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000008898651	554789416	/nfs/dbraw/zinc/78/94/16/554789416.db2.gz	WOXPAPDKHTUOKI-UHFFFAOYSA-N	0	0	490.741	5.233	40	5		JKBBRN
Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000008898802	554789525	/nfs/dbraw/zinc/78/95/25/554789525.db2.gz	DEAFRPVHZSAAJC-UHFFFAOYSA-N	0	0	474.542	5.269	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)sc2c1	ZINC000008899042	554789794	/nfs/dbraw/zinc/78/97/94/554789794.db2.gz	KPJKJCYJQCQYGQ-UHFFFAOYSA-N	0	0	474.542	5.269	40	5		JKBBRN
O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008899192	554790083	/nfs/dbraw/zinc/79/00/83/554790083.db2.gz	ZQUNHHSIEQFNDM-UHFFFAOYSA-N	0	0	497.338	6.562	40	5		JKBBRN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000008899596	554790723	/nfs/dbraw/zinc/79/07/23/554790723.db2.gz	FCQCJNYGMLQCSI-UHFFFAOYSA-N	0	0	497.507	7.047	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000008899960	554791451	/nfs/dbraw/zinc/79/14/51/554791451.db2.gz	SYNDBTCQMBQNFQ-UHFFFAOYSA-N	0	0	475.460	7.069	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000008900099	554791956	/nfs/dbraw/zinc/79/19/56/554791956.db2.gz	XULLPJWNBNOFQS-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)c(C)c1	ZINC000008900396	554792612	/nfs/dbraw/zinc/79/26/12/554792612.db2.gz	PANRFKMITWFFLG-UHFFFAOYSA-N	0	0	492.967	5.697	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)o2)cc1Cl	ZINC000008902516	554796390	/nfs/dbraw/zinc/79/63/90/554796390.db2.gz	LVPICDXLVFOGNP-RMKNXTFCSA-N	0	0	467.909	5.305	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1	ZINC000008902759	554796571	/nfs/dbraw/zinc/79/65/71/554796571.db2.gz	KXIRRJHNRUSNAJ-XBXARRHUSA-N	0	0	468.878	5.355	40	5		JKBBRN
CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1	ZINC000008903004	554796985	/nfs/dbraw/zinc/79/69/85/554796985.db2.gz	RQNAFLQQGUBITC-UHFFFAOYSA-N	0	0	467.481	7.039	40	5		JKBBRN
CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2c1	ZINC000008903254	554797259	/nfs/dbraw/zinc/79/72/59/554797259.db2.gz	HVIVNEGAHXWFDV-UHFFFAOYSA-N	0	0	495.513	5.682	40	5		JKBBRN
COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000008974442	554845823	/nfs/dbraw/zinc/84/58/23/554845823.db2.gz	QDIXKEGDBTYJGN-QUKDMSEQSA-N	0	0	490.943	5.253	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccc(C)cc1	ZINC000008990023	554851756	/nfs/dbraw/zinc/85/17/56/554851756.db2.gz	OFQLODSXQNGHPS-XKZIYDEJSA-N	0	0	458.470	5.225	40	5		JKBBRN
O=C(CSc1nc(-c2ccccc2)nc2c3ccccc3ccc12)Nc1ccc([N+](=O)[O-])cc1	ZINC000009057298	554876512	/nfs/dbraw/zinc/87/65/12/554876512.db2.gz	PVFURVIFXALSCT-UHFFFAOYSA-N	0	0	466.522	6.089	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000009058356	554877352	/nfs/dbraw/zinc/87/73/52/554877352.db2.gz	GISPFPVXUXPFEA-UHFFFAOYSA-N	0	0	487.921	5.218	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	ZINC000009062386	554879890	/nfs/dbraw/zinc/87/98/90/554879890.db2.gz	AXSRENZNQPAZKV-UHFFFAOYSA-N	0	0	498.282	5.456	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	ZINC000009062465	554880219	/nfs/dbraw/zinc/88/02/19/554880219.db2.gz	DUEMKYBMLQOGGN-UHFFFAOYSA-N	0	0	479.905	5.271	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000009142430	554935908	/nfs/dbraw/zinc/93/59/08/554935908.db2.gz	CLURXXUQCXJZSZ-UHFFFAOYSA-N	0	0	470.721	5.942	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C(c2ccccc2)c2ccccc2)o1	ZINC000009200033	554971478	/nfs/dbraw/zinc/97/14/78/554971478.db2.gz	MZJJUWAUCFRNQU-UHFFFAOYSA-N	0	0	460.515	5.197	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000009232643	555005018	/nfs/dbraw/zinc/00/50/18/555005018.db2.gz	KLQHYTWFFKCCSE-WSDLNYQXSA-N	0	0	498.919	6.203	40	5		JKBBRN
O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21	ZINC000009636673	555344310	/nfs/dbraw/zinc/34/43/10/555344310.db2.gz	NVSRYIFVBUTHEE-XQUALCHDSA-N	0	0	475.342	5.345	40	5		JKBBRN
Nc1ccc2nc3cc(Nc4ccccc4)/c(=N\c4ccccc4)cc-3n(-c3ccccc3)c2c1	ZINC000013282694	555370894	/nfs/dbraw/zinc/37/08/94/555370894.db2.gz	MQJDQAXDVFYIPJ-KGGMANCPSA-N	0	0	453.549	6.689	40	5		JKBBRN
O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000013371644	555392287	/nfs/dbraw/zinc/39/22/87/555392287.db2.gz	PXDHZVMLLCEIQT-UHFFFAOYSA-N	0	0	461.861	6.013	40	5		JKBBRN
Cc1cccc(-c2nnc(SCC(=O)N(Cc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000013371982	555392681	/nfs/dbraw/zinc/39/26/81/555392681.db2.gz	LBEASIHFOKZSMA-UHFFFAOYSA-N	0	0	494.960	5.932	40	5		JKBBRN
Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)cc3n2)cc1	ZINC000013371656	555392694	/nfs/dbraw/zinc/39/26/94/555392694.db2.gz	PFEOQVVYBQISMV-UHFFFAOYSA-N	0	0	453.458	5.458	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc43)cc2)o1	ZINC000013382065	555393539	/nfs/dbraw/zinc/39/35/39/555393539.db2.gz	YBZMJDXETBGJCI-UHFFFAOYSA-N	0	0	491.503	6.821	40	5		JKBBRN
O=C(Oc1ccc(Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000013424200	555398070	/nfs/dbraw/zinc/39/80/70/555398070.db2.gz	BGGZYYMQNFJYOJ-UHFFFAOYSA-N	0	0	498.447	5.532	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-]	ZINC000013509722	555481561	/nfs/dbraw/zinc/48/15/61/555481561.db2.gz	LQMWGLFJLVHCOI-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000013509758	555481816	/nfs/dbraw/zinc/48/18/16/555481816.db2.gz	LLNVFGDSLUCAJN-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-]	ZINC000013509734	555481822	/nfs/dbraw/zinc/48/18/22/555481822.db2.gz	WITVOWWVEIIZIC-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
COc1ccc(-c2nsc3c2ncnc3S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	ZINC000013510951	555482844	/nfs/dbraw/zinc/48/28/44/555482844.db2.gz	KBCBBLNRBUYWNW-CYBMUJFWSA-N	0	0	481.559	5.098	40	5		JKBBRN
O=C(CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc21)Nc1ccc(Cl)c(Cl)c1	ZINC000013511036	555483030	/nfs/dbraw/zinc/48/30/30/555483030.db2.gz	VWDJJRZNMJISFF-UHFFFAOYSA-N	0	0	492.369	5.699	40	5		JKBBRN
CCc1cccc(CC)c1NC(=O)CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc21	ZINC000013511016	555483066	/nfs/dbraw/zinc/48/30/66/555483066.db2.gz	JKQGJLJQBNNANA-UHFFFAOYSA-N	0	0	479.587	5.517	40	5		JKBBRN
Cc1ccc(OCc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)cc1C	ZINC000019928036	555543300	/nfs/dbraw/zinc/54/33/00/555543300.db2.gz	DRDQYSQSNZAMHW-UHFFFAOYSA-N	0	0	483.333	5.211	40	5		JKBBRN
O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000019928760	555544669	/nfs/dbraw/zinc/54/46/69/555544669.db2.gz	SZDMWYDYYVGMIH-UHFFFAOYSA-N	0	0	458.714	5.071	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc4ccccc4c(Br)c3OC)nc21	ZINC000010010605	555593029	/nfs/dbraw/zinc/59/30/29/555593029.db2.gz	YPSXONAPGHQKLK-UHFFFAOYSA-N	0	0	488.319	5.390	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)nc21	ZINC000010010599	555593033	/nfs/dbraw/zinc/59/30/33/555593033.db2.gz	FVWZPORKCWBGND-UHFFFAOYSA-N	0	0	464.868	5.242	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000010042561	555606833	/nfs/dbraw/zinc/60/68/33/555606833.db2.gz	XGRZRZBLTZBKIW-UHFFFAOYSA-N	0	0	462.502	5.158	40	5		JKBBRN
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1c1ccccc1	ZINC000013750784	555609295	/nfs/dbraw/zinc/60/92/95/555609295.db2.gz	YAGSEIQCOXLKEW-SDHOMARFSA-N	0	0	497.532	5.374	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)oc2c(Br)c1	ZINC000010119752	555631184	/nfs/dbraw/zinc/63/11/84/555631184.db2.gz	VRRBLKRYMAPUQC-UHFFFAOYSA-N	0	0	466.291	5.980	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)oc2c(Br)c1	ZINC000010119753	555631230	/nfs/dbraw/zinc/63/12/30/555631230.db2.gz	CKFUSZABKRTHEX-UHFFFAOYSA-N	0	0	466.291	5.980	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)oc2c(Br)c1	ZINC000010119812	555631462	/nfs/dbraw/zinc/63/14/62/555631462.db2.gz	PSCUEMTZEZOONW-UHFFFAOYSA-N	0	0	496.317	5.745	40	5		JKBBRN
COc1cc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC	ZINC000010120245	555632514	/nfs/dbraw/zinc/63/25/14/555632514.db2.gz	BVXQOZBAGIVSBE-JXMROGBWSA-N	0	0	475.457	5.081	40	5		JKBBRN
Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)oc2cc1C	ZINC000010120415	555633117	/nfs/dbraw/zinc/63/31/17/555633117.db2.gz	YYDVNDFDHJTQTE-UHFFFAOYSA-N	0	0	467.481	6.210	40	5		JKBBRN
CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2CC)cc1	ZINC000013871602	555637880	/nfs/dbraw/zinc/63/78/80/555637880.db2.gz	QPIJPSIKJDHFPI-AWEZNQCLSA-N	0	0	489.985	5.293	40	5		JKBBRN
CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2CC)cc1	ZINC000013871603	555637919	/nfs/dbraw/zinc/63/79/19/555637919.db2.gz	QPIJPSIKJDHFPI-CQSZACIVSA-N	0	0	489.985	5.293	40	5		JKBBRN
C[C@]1(c2ccccc2)CC(c2ccccc2)=Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000013896870	555644260	/nfs/dbraw/zinc/64/42/60/555644260.db2.gz	XTVFVZDEWCQZJA-GDLZYMKVSA-N	0	0	461.521	6.682	40	5		JKBBRN
COc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)ccc1-c1ccc(CO)o1	ZINC000020139643	555662591	/nfs/dbraw/zinc/66/25/91/555662591.db2.gz	SCKWMKVVPVAOSN-UHFFFAOYSA-N	0	0	458.879	5.476	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)cc2[N+](=O)[O-])CC1	ZINC000020142665	555663859	/nfs/dbraw/zinc/66/38/59/555663859.db2.gz	OTUZBBMPCMZTHA-UHFFFAOYSA-N	0	0	469.925	5.489	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(-c2ccc(CO)o2)ccc1Cl	ZINC000020145340	555664378	/nfs/dbraw/zinc/66/43/78/555664378.db2.gz	ZMKXJFUPWIMZQQ-XYOKQWHBSA-N	0	0	464.861	5.912	40	5		JKBBRN
COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1	ZINC000020145354	555664384	/nfs/dbraw/zinc/66/43/84/555664384.db2.gz	AFZHLYJWSMGPQO-UKTHLTGXSA-N	0	0	460.442	5.268	40	5		JKBBRN
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	ZINC000020151055	555667969	/nfs/dbraw/zinc/66/79/69/555667969.db2.gz	KGRUSDGUKICNHG-KPKJPENVSA-N	0	0	474.469	5.576	40	5		JKBBRN
O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020195588	555695666	/nfs/dbraw/zinc/69/56/66/555695666.db2.gz	OIXDXFGONSOLNM-UHFFFAOYSA-N	0	0	458.714	5.071	40	5		JKBBRN
CCc1nnc2sc(-c3ccc(C)c(NC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)c3)nn12	ZINC000010372887	555700541	/nfs/dbraw/zinc/70/05/41/555700541.db2.gz	IUBYGNZCGGCEMW-UHFFFAOYSA-N	0	0	476.562	5.082	40	5		JKBBRN
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000010372862	555700597	/nfs/dbraw/zinc/70/05/97/555700597.db2.gz	PCPRBGDUNIBABY-UHFFFAOYSA-N	0	0	461.484	6.054	40	5		JKBBRN
Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014269429	555759174	/nfs/dbraw/zinc/75/91/74/555759174.db2.gz	CZFNXCJEQRRWSG-UHFFFAOYSA-N	0	0	460.309	5.053	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1	ZINC000014269448	555759237	/nfs/dbraw/zinc/75/92/37/555759237.db2.gz	CSJRSOUNBVQYQS-UHFFFAOYSA-N	0	0	466.302	5.297	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1	ZINC000014269794	555760353	/nfs/dbraw/zinc/76/03/53/555760353.db2.gz	DLGULRYVMIFYIL-JXMROGBWSA-N	0	0	462.314	5.688	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C	ZINC000014269968	555760712	/nfs/dbraw/zinc/76/07/12/555760712.db2.gz	NTTUIUOSLLMQCV-UHFFFAOYSA-N	0	0	464.330	5.905	40	5		JKBBRN
Cc1nc(SCc2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)n[nH]1	ZINC000020293595	555762230	/nfs/dbraw/zinc/76/22/30/555762230.db2.gz	ZQYFESPOUXMTRL-UHFFFAOYSA-N	0	0	459.940	5.434	40	5		JKBBRN
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc2c(Cl)cccc12	ZINC000014270394	555762625	/nfs/dbraw/zinc/76/26/25/555762625.db2.gz	DMCLSTAIYODJHP-UHFFFAOYSA-N	0	0	464.728	5.291	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1[N+](=O)[O-]	ZINC000014270497	555762822	/nfs/dbraw/zinc/76/28/22/555762822.db2.gz	WZPNWBZRRGRWOX-UHFFFAOYSA-N	0	0	468.947	5.652	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014271993	555768471	/nfs/dbraw/zinc/76/84/71/555768471.db2.gz	NFJFYTGNTRJXQP-YRNVUSSQSA-N	0	0	465.918	6.185	40	5		JKBBRN
O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014272188	555769070	/nfs/dbraw/zinc/76/90/70/555769070.db2.gz	PMHWEZFIJSXWRQ-UHFFFAOYSA-N	0	0	462.893	5.909	40	5		JKBBRN
CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000014272294	555769400	/nfs/dbraw/zinc/76/94/00/555769400.db2.gz	QJEOPGGQMYAUGT-UHFFFAOYSA-N	0	0	472.501	5.054	40	5		JKBBRN
CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000014272248	555769425	/nfs/dbraw/zinc/76/94/25/555769425.db2.gz	QEJVJTYSLXCSDY-UHFFFAOYSA-N	0	0	472.501	5.054	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1	ZINC000014272362	555769660	/nfs/dbraw/zinc/76/96/60/555769660.db2.gz	OTFRVXWVYSCGRI-UHFFFAOYSA-N	0	0	453.454	6.532	40	5		JKBBRN
Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1	ZINC000014272368	555769678	/nfs/dbraw/zinc/76/96/78/555769678.db2.gz	SYXYCVBKTHVMRB-UHFFFAOYSA-N	0	0	456.502	5.872	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1[N+](=O)[O-]	ZINC000014272759	555771014	/nfs/dbraw/zinc/77/10/14/555771014.db2.gz	RQSWGXSXSOIFQG-UHFFFAOYSA-N	0	0	459.506	5.412	40	5		JKBBRN
COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1	ZINC000014272996	555771907	/nfs/dbraw/zinc/77/19/07/555771907.db2.gz	XMMIAMQPIUMTRJ-WEVVVXLNSA-N	0	0	457.895	5.223	40	5		JKBBRN
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1ccccc1Cl	ZINC000014273019	555771960	/nfs/dbraw/zinc/77/19/60/555771960.db2.gz	DTWLYMREBKUMCC-UHFFFAOYSA-N	0	0	460.273	5.415	40	5		JKBBRN
COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cccs1	ZINC000014273000	555771964	/nfs/dbraw/zinc/77/19/64/555771964.db2.gz	BZLOCPCUUSJJAB-UHFFFAOYSA-N	0	0	463.471	5.430	40	5		JKBBRN
O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014273180	555772495	/nfs/dbraw/zinc/77/24/95/555772495.db2.gz	UHNHCTDDCMIFTL-UHFFFAOYSA-N	0	0	455.470	5.221	40	5		JKBBRN
CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1	ZINC000014273961	555775373	/nfs/dbraw/zinc/77/53/73/555775373.db2.gz	YMXPJSPUVCZNBB-UHFFFAOYSA-N	0	0	474.542	5.331	40	5		JKBBRN
Cc1c(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cccc1[N+](=O)[O-]	ZINC000014273967	555775379	/nfs/dbraw/zinc/77/53/79/555775379.db2.gz	FRYRKACSFLMIHQ-UHFFFAOYSA-N	0	0	488.569	5.639	40	5		JKBBRN
O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014274105	555775638	/nfs/dbraw/zinc/77/56/38/555775638.db2.gz	PPKFITZLRZTFEN-UHFFFAOYSA-N	0	0	492.538	5.295	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000014274564	555777071	/nfs/dbraw/zinc/77/70/71/555777071.db2.gz	IRCLXVRJPPVGQY-WEVVVXLNSA-N	0	0	492.340	5.697	40	5		JKBBRN
O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014274758	555778019	/nfs/dbraw/zinc/77/80/19/555778019.db2.gz	QRQJHWXXAKKSRR-UHFFFAOYSA-N	0	0	487.541	5.130	40	5		JKBBRN
Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3O)oc2c(C)c1	ZINC000014275057	555779357	/nfs/dbraw/zinc/77/93/57/555779357.db2.gz	MANMFALRXJQKJK-UHFFFAOYSA-N	0	0	476.514	5.161	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000020353314	555781175	/nfs/dbraw/zinc/78/11/75/555781175.db2.gz	SJTDXABTSRJYIX-HNNXBMFYSA-N	0	0	488.569	6.352	40	5		JKBBRN
COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1[N+](=O)[O-]	ZINC000014275694	555781452	/nfs/dbraw/zinc/78/14/52/555781452.db2.gz	DKJNYSYWPBKLPO-UHFFFAOYSA-N	0	0	476.514	5.155	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl	ZINC000014275944	555782278	/nfs/dbraw/zinc/78/22/78/555782278.db2.gz	ARDCHLKBAJEKOB-UHFFFAOYSA-N	0	0	474.778	6.205	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014276009	555782523	/nfs/dbraw/zinc/78/25/23/555782523.db2.gz	YFNNJJCRIBINMZ-UHFFFAOYSA-N	0	0	480.727	5.398	40	5		JKBBRN
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014277731	555786619	/nfs/dbraw/zinc/78/66/19/555786619.db2.gz	FRECWKVPWUUDAX-UHFFFAOYSA-N	0	0	476.920	6.217	40	5		JKBBRN
O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014277653	555786639	/nfs/dbraw/zinc/78/66/39/555786639.db2.gz	WMCCVKQFJXPJMI-UHFFFAOYSA-N	0	0	475.913	7.037	40	5		JKBBRN
O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014277755	555786795	/nfs/dbraw/zinc/78/67/95/555786795.db2.gz	BTBXBNROAFHUQK-UHFFFAOYSA-N	0	0	497.338	6.562	40	5		JKBBRN
O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000014277775	555786821	/nfs/dbraw/zinc/78/68/21/555786821.db2.gz	GSXJRSLTYCMUHC-UHFFFAOYSA-N	0	0	494.290	7.222	40	5		JKBBRN
O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014277872	555787188	/nfs/dbraw/zinc/78/71/88/555787188.db2.gz	KPIHVMMQJBMSRX-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1	ZINC000014277948	555787417	/nfs/dbraw/zinc/78/74/17/555787417.db2.gz	NMVVYBXGGKOHIE-QGZVFWFLSA-N	0	0	481.508	7.429	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000014278173	555787934	/nfs/dbraw/zinc/78/79/34/555787934.db2.gz	XJTQVCWCTRVNIE-FNORWQNLSA-N	0	0	486.336	6.937	40	5		JKBBRN
O=C(Nc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1	ZINC000014278855	555789668	/nfs/dbraw/zinc/78/96/68/555789668.db2.gz	CFAIGTCMKNCMEZ-UHFFFAOYSA-N	0	0	484.512	5.836	40	5		JKBBRN
O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000020412133	555789896	/nfs/dbraw/zinc/78/98/96/555789896.db2.gz	YMRAYHIYAJIPAC-UHFFFAOYSA-N	0	0	458.923	6.205	40	5		JKBBRN
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1	ZINC000014279226	555790809	/nfs/dbraw/zinc/79/08/09/555790809.db2.gz	ZWDBEDKSLHJJRC-UHFFFAOYSA-N	0	0	496.951	5.065	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C(C)C)cc2)cc1	ZINC000014411428	555810647	/nfs/dbraw/zinc/81/06/47/555810647.db2.gz	XPBDUABSOJSDGF-UHFFFAOYSA-N	0	0	481.574	5.169	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000021580668	555852528	/nfs/dbraw/zinc/85/25/28/555852528.db2.gz	YAFDHTFDNJMDIE-UHFFFAOYSA-N	0	0	454.442	5.659	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccc(F)cc5)nc4c3)cc2[N+](=O)[O-])CC1	ZINC000021595919	555854262	/nfs/dbraw/zinc/85/42/62/555854262.db2.gz	ZSNARNYDNRNJHJ-UHFFFAOYSA-N	0	0	474.492	6.031	40	5		JKBBRN
CCCCCCSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])ccc1OC)Nc1ccccc1-2	ZINC000015015448	555855745	/nfs/dbraw/zinc/85/57/45/555855745.db2.gz	CHEFFJPVOZGECD-OAQYLSRUSA-N	0	0	467.551	5.631	40	5		JKBBRN
CCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)Nc1ccccc1-2	ZINC000015018371	555858968	/nfs/dbraw/zinc/85/89/68/555858968.db2.gz	IONIJTWQWAWRMH-QHCPKHFHSA-N	0	0	489.557	6.411	40	5		JKBBRN
COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1	ZINC000022108227	555875311	/nfs/dbraw/zinc/87/53/11/555875311.db2.gz	WJBNWJGIKUVPFI-OPIFHRFKSA-N	0	0	478.504	5.027	40	5		JKBBRN
Nc1cc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)ccc1Cl	ZINC000015135370	555879692	/nfs/dbraw/zinc/87/96/92/555879692.db2.gz	GTXDPDHASWRQOR-GNVQSUKOSA-N	0	0	453.954	7.331	40	5		JKBBRN
COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N\c2ccccc2)cc1OC	ZINC000015277047	555892598	/nfs/dbraw/zinc/89/25/98/555892598.db2.gz	NWBLJMIVNNCRMR-QPLCGJKRSA-N	0	0	461.543	5.617	40	5		JKBBRN
Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C(C)(C)C)ccc1[N+](=O)[O-]	ZINC000022257631	555905314	/nfs/dbraw/zinc/90/53/14/555905314.db2.gz	MJPLEWKGRFZOKT-UHFFFAOYSA-N	0	0	493.347	5.466	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000022534513	555932976	/nfs/dbraw/zinc/93/29/76/555932976.db2.gz	OHOANFBKJBVSRA-WEVVVXLNSA-N	0	0	452.677	6.572	40	5		JKBBRN
Cc1cc2nc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2c(C)c1	ZINC000022562637	555934627	/nfs/dbraw/zinc/93/46/27/555934627.db2.gz	VUVCIBBFXNXOKC-UHFFFAOYSA-N	0	0	456.502	5.872	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1[N+](=O)[O-]	ZINC000022566938	555936233	/nfs/dbraw/zinc/93/62/33/555936233.db2.gz	BIFNRBCCSFKYMV-MRXNPFEDSA-N	0	0	459.502	6.568	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000022571347	555937434	/nfs/dbraw/zinc/93/74/34/555937434.db2.gz	SYHCYPPSEXONBB-UHFFFAOYSA-N	0	0	462.893	5.909	40	5		JKBBRN
O=C(Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)c1cccc(Cl)c1	ZINC000022574642	555938376	/nfs/dbraw/zinc/93/83/76/555938376.db2.gz	IRGRNMOZECTYEK-UHFFFAOYSA-N	0	0	464.909	5.353	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)o2)cc1Cl	ZINC000022576337	555938634	/nfs/dbraw/zinc/93/86/34/555938634.db2.gz	XGEBTPRNZRAVKM-CSKARUKUSA-N	0	0	465.918	6.592	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000022707863	555944274	/nfs/dbraw/zinc/94/42/74/555944274.db2.gz	BKDFHYUDLBAYDB-JXMROGBWSA-N	0	0	471.922	5.352	40	5		JKBBRN
Cc1cc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)oc2c(C)c1	ZINC000022708185	555944792	/nfs/dbraw/zinc/94/47/92/555944792.db2.gz	TYAUDVRBEFMZAF-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
CCc1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1	ZINC000022708191	555944839	/nfs/dbraw/zinc/94/48/39/555944839.db2.gz	CEQYNQOHMNILFF-UHFFFAOYSA-N	0	0	472.501	5.054	40	5		JKBBRN
Cc1cc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)oc2cc1C	ZINC000022708193	555944842	/nfs/dbraw/zinc/94/48/42/555944842.db2.gz	PVYSDIZJAURNHR-UHFFFAOYSA-N	0	0	472.501	5.109	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000022709046	555945176	/nfs/dbraw/zinc/94/51/76/555945176.db2.gz	RZJHNVLGFDMYQO-UHFFFAOYSA-N	0	0	473.312	5.925	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1	ZINC000022710566	555945748	/nfs/dbraw/zinc/94/57/48/555945748.db2.gz	AVKGYMPNQKEBPG-OAHLLOKOSA-N	0	0	474.542	6.043	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1Cl	ZINC000022712269	555946338	/nfs/dbraw/zinc/94/63/38/555946338.db2.gz	SUKAQJBHFCRYHO-RMKNXTFCSA-N	0	0	476.341	5.996	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022715409	555947217	/nfs/dbraw/zinc/94/72/17/555947217.db2.gz	CNVFOXUXCLMVNM-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000022742313	555949910	/nfs/dbraw/zinc/94/99/10/555949910.db2.gz	ZSKCLFZVTLCCIO-JXMROGBWSA-N	0	0	484.946	5.644	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000022745027	555950502	/nfs/dbraw/zinc/95/05/02/555950502.db2.gz	VGKMSYMITFYQAR-UHFFFAOYSA-N	0	0	487.339	6.234	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c(Cl)c1	ZINC000022751194	555952650	/nfs/dbraw/zinc/95/26/50/555952650.db2.gz	YIWPXJNZIZHDRZ-UHFFFAOYSA-N	0	0	492.919	5.454	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022753181	555953060	/nfs/dbraw/zinc/95/30/60/555953060.db2.gz	DCFAPDGNHUVJHR-UHFFFAOYSA-N	0	0	494.507	5.645	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000022757644	555954393	/nfs/dbraw/zinc/95/43/93/555954393.db2.gz	PDHIXABWHGBIKR-UHFFFAOYSA-N	0	0	497.338	6.562	40	5		JKBBRN
O=c1oc2ccccc2cc1C1=Nc2ccccc2S[C@@H](c2c3ccccc3cc3ccccc32)C1	ZINC000012360324	555957214	/nfs/dbraw/zinc/95/72/14/555957214.db2.gz	PHTMIOQKPAPPOD-SSEXGKCCSA-N	0	0	483.592	8.457	40	5		JKBBRN
CC(C)(C)c1ccc(C2=Nc3ccc(Br)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1	ZINC000012485525	555987313	/nfs/dbraw/zinc/98/73/13/555987313.db2.gz	BJCCTOQITFVGFK-UHFFFAOYSA-N	0	0	477.362	6.089	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc32)c([N+](=O)[O-])c1	ZINC000012486802	555987994	/nfs/dbraw/zinc/98/79/94/555987994.db2.gz	DMGVEUKJCCWLTK-UHFFFAOYSA-N	0	0	464.934	5.898	40	5		JKBBRN
COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccccc1	ZINC000015791014	556007155	/nfs/dbraw/zinc/00/71/55/556007155.db2.gz	DQCHLRCBKPRBGJ-UHFFFAOYSA-N	0	0	471.307	5.506	40	5		JKBBRN
COc1cccc(-c2ccc(Cn3c(Cc4ccccc4)nc4ccc([N+](=O)[O-])cc4c3=O)cc2)c1	ZINC000012834095	556116435	/nfs/dbraw/zinc/11/64/35/556116435.db2.gz	VTRDSXISXMFVQE-UHFFFAOYSA-N	0	0	477.520	5.619	40	5		JKBBRN
O=C(/C=C/c1ccccc1)Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1	ZINC000012844344	556117160	/nfs/dbraw/zinc/11/71/60/556117160.db2.gz	UTXLMOGCGRHKAZ-JLHYYAGUSA-N	0	0	454.482	6.664	40	5		JKBBRN
C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000012844615	556117520	/nfs/dbraw/zinc/11/75/20/556117520.db2.gz	HINHXKDKGSJSKQ-NSHDSACASA-N	0	0	482.871	5.843	40	5		JKBBRN
O=C1[C@@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000012851007	556117781	/nfs/dbraw/zinc/11/77/81/556117781.db2.gz	CACWZHSYVDZDDS-LAJGZZDBSA-N	0	0	493.519	6.025	40	5		JKBBRN
Cc1c(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)ccc2o1	ZINC000016185134	556127976	/nfs/dbraw/zinc/12/79/76/556127976.db2.gz	MADNNFYKTIQPAU-FLIBITNWSA-N	0	0	492.944	5.891	40	5		JKBBRN
Cc1cc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)ccc1Br	ZINC000016282264	556132207	/nfs/dbraw/zinc/13/22/07/556132207.db2.gz	WESDRDDTRAWHQE-BJMVGYQFSA-N	0	0	478.302	6.126	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)C1c2ccccc2Oc2ccccc21	ZINC000024522319	556133324	/nfs/dbraw/zinc/13/33/24/556133324.db2.gz	BLTINWHZVVAYNT-UHFFFAOYSA-N	0	0	487.895	7.022	40	5		JKBBRN
COc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c([N+](=O)[O-])c1	ZINC000024522187	556133346	/nfs/dbraw/zinc/13/33/46/556133346.db2.gz	QXMLGPHFDYBDQV-UHFFFAOYSA-N	0	0	480.432	6.174	40	5		JKBBRN
O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc(Br)cc1	ZINC000024522855	556133709	/nfs/dbraw/zinc/13/37/09/556133709.db2.gz	WWPXBTFDZYCOMH-UHFFFAOYSA-N	0	0	484.305	7.020	40	5		JKBBRN
Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)cc3)CC2=O)cc1	ZINC000016292918	556133811	/nfs/dbraw/zinc/13/38/11/556133811.db2.gz	USEDSWUCQARZAV-SFHVURJKSA-N	0	0	480.904	5.445	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1nc2ccc(Cl)cc2s1	ZINC000016384227	556136637	/nfs/dbraw/zinc/13/66/37/556136637.db2.gz	PLAHAHFQHWHFQR-QHHAFSJGSA-N	0	0	453.332	5.038	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(I)c1	ZINC000016399221	556137424	/nfs/dbraw/zinc/13/74/24/556137424.db2.gz	VORUTSGDYNSKNT-UHFFFAOYSA-N	0	0	475.238	5.349	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2ccc(Cl)cc2)c1	ZINC000016428435	556138696	/nfs/dbraw/zinc/13/86/96/556138696.db2.gz	SUGDKWMNUWBSRV-UHFFFAOYSA-N	0	0	460.277	6.190	40	5		JKBBRN
O=C(OCc1ccc(I)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1	ZINC000016449413	556139360	/nfs/dbraw/zinc/13/93/60/556139360.db2.gz	FAQDXUDLIOPDLK-UHFFFAOYSA-N	0	0	491.306	5.708	40	5		JKBBRN
O=[N+]([O-])c1ccc([C@H]2N(c3ccccc3)N=C(c3ccccc3)N2c2ccc(Cl)cc2)cc1	ZINC000016478042	556140018	/nfs/dbraw/zinc/14/00/18/556140018.db2.gz	TWXFHGWLUBQADO-AREMUKBSSA-N	0	0	454.917	6.635	40	5		JKBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccc(Br)cc21	ZINC000016492649	556141187	/nfs/dbraw/zinc/14/11/87/556141187.db2.gz	PQOIPPHIHYOVFT-UHFFFAOYSA-N	0	0	463.287	5.930	40	5		JKBBRN
O=C(CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016492476	556141261	/nfs/dbraw/zinc/14/12/61/556141261.db2.gz	MMXJQSQIQPWXHJ-UHFFFAOYSA-N	0	0	470.337	6.487	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1	ZINC000016611160	556147408	/nfs/dbraw/zinc/14/74/08/556147408.db2.gz	FXPOVZKWPPQCCB-OAHLLOKOSA-N	0	0	474.542	6.043	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000016611097	556147478	/nfs/dbraw/zinc/14/74/78/556147478.db2.gz	FEXYFBCBNRJKCB-OAHLLOKOSA-N	0	0	488.569	6.352	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1	ZINC000016611261	556147947	/nfs/dbraw/zinc/14/79/47/556147947.db2.gz	HBWWQHSXMWYJCJ-OAHLLOKOSA-N	0	0	474.542	6.043	40	5		JKBBRN
CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1	ZINC000016691991	556153491	/nfs/dbraw/zinc/15/34/91/556153491.db2.gz	GMSSSIXGVVOJFS-UHFFFAOYSA-N	0	0	476.514	5.237	40	5		JKBBRN
Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)Nc1nc2c(s1)CCCC2	ZINC000013086144	556285847	/nfs/dbraw/zinc/28/58/47/556285847.db2.gz	SUWCCXNXCXEDQZ-UHFFFAOYSA-N	0	0	477.640	5.767	40	5		JKBBRN
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4c(F)cccc4Cl)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)c(C)c1	ZINC000018113642	556289237	/nfs/dbraw/zinc/28/92/37/556289237.db2.gz	XRNUNXKWWYCCAH-VJBWXMMDSA-N	0	0	495.894	5.055	40	5		JKBBRN
O=C(Nc1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000018322437	556319256	/nfs/dbraw/zinc/31/92/56/556319256.db2.gz	VIEKUDIJUOYQGJ-QURFURGYSA-N	0	0	452.554	6.637	40	5		JKBBRN
CCCCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000019075495	556327994	/nfs/dbraw/zinc/32/79/94/556327994.db2.gz	XNRAVHVBOLVALA-UHFFFAOYSA-N	0	0	493.512	5.836	40	5		JKBBRN
CCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000019075490	556328004	/nfs/dbraw/zinc/32/80/04/556328004.db2.gz	OLZSMJYXJRSMGL-UHFFFAOYSA-N	0	0	465.458	5.056	40	5		JKBBRN
Cc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2C)C1c1cccc([N+](=O)[O-])c1	ZINC000031772126	556402909	/nfs/dbraw/zinc/40/29/09/556402909.db2.gz	DSJRXXZWWWCRNC-UHFFFAOYSA-N	0	0	496.567	5.724	40	5		JKBBRN
Cc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2C)C1c1ccc([N+](=O)[O-])cc1	ZINC000031829876	556408610	/nfs/dbraw/zinc/40/86/10/556408610.db2.gz	JGCYPORZVOCZAD-UHFFFAOYSA-N	0	0	496.567	5.724	40	5		JKBBRN
Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032111938	556420867	/nfs/dbraw/zinc/42/08/67/556420867.db2.gz	UQDIYDDOCCFOQY-UHFFFAOYSA-N	0	0	479.876	5.573	40	5		JKBBRN
Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-]	ZINC000032114525	556421086	/nfs/dbraw/zinc/42/10/86/556421086.db2.gz	NUJKMWXIIJRICM-UHFFFAOYSA-N	0	0	459.458	5.228	40	5		JKBBRN
Cc1cc(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032114714	556421325	/nfs/dbraw/zinc/42/13/25/556421325.db2.gz	FAHXAVJLKUXIGF-UHFFFAOYSA-N	0	0	479.876	5.573	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000032114848	556421548	/nfs/dbraw/zinc/42/15/48/556421548.db2.gz	RFTDFPJFRHBDGI-UHFFFAOYSA-N	0	0	474.763	5.495	40	5		JKBBRN
Cc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032114786	556421595	/nfs/dbraw/zinc/42/15/95/556421595.db2.gz	MUKRRYXYLYTFCS-UHFFFAOYSA-N	0	0	474.498	5.029	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1	ZINC000032115316	556422470	/nfs/dbraw/zinc/42/24/70/556422470.db2.gz	QFNVJUMQWXGPOW-QPJJXVBHSA-N	0	0	455.804	5.987	40	5		JKBBRN
Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032115404	556422698	/nfs/dbraw/zinc/42/26/98/556422698.db2.gz	LOSNIKZMOFAJQW-UHFFFAOYSA-N	0	0	488.525	5.337	40	5		JKBBRN
O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000032124843	556428214	/nfs/dbraw/zinc/42/82/14/556428214.db2.gz	HMDGJEVVONPLSH-MFOYZWKCSA-N	0	0	485.370	5.223	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)cc1[N+](=O)[O-]	ZINC000032125133	556428825	/nfs/dbraw/zinc/42/88/25/556428825.db2.gz	JEUAGCMVNSWWCS-HNNXBMFYSA-N	0	0	493.947	7.221	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1	ZINC000032125451	556429790	/nfs/dbraw/zinc/42/97/90/556429790.db2.gz	XLWQWTPLIRNOBJ-ZDUSSCGKSA-N	0	0	484.339	7.476	40	5		JKBBRN
O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000032126312	556430251	/nfs/dbraw/zinc/43/02/51/556430251.db2.gz	IGILOALPBCGQRP-UHFFFAOYSA-N	0	0	493.353	5.898	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cc(-c3ccccc3)nc/c2=N\N(Cc2ccccc2)c2ccccc2)cc1	ZINC000032220673	556433673	/nfs/dbraw/zinc/43/36/73/556433673.db2.gz	SDKUZVDMXWMLJN-OWWNRXNESA-N	0	0	473.536	5.970	40	5		JKBBRN
COc1ccc([C@@H]2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2N=c2[nH]c3ccccc3s2)cc1	ZINC000032597630	556449436	/nfs/dbraw/zinc/44/94/36/556449436.db2.gz	LSLKQMRSFGRNGQ-CVGPFBNFSA-N	0	0	490.566	5.855	40	5		JKBBRN
O=[N+]([O-])/C=C\c1cn(CCCCCCCCn2cc(/C=C\[N+](=O)[O-])c3ccccc32)c2ccccc12	ZINC000008651983	569592532	/nfs/dbraw/zinc/59/25/32/569592532.db2.gz	AOHDCEYPGMZIKQ-IKBKFCNISA-N	0	0	486.572	7.132	40	5		JKBBRN
Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1-c1nc2ccccc2o1	ZINC000057313258	569596604	/nfs/dbraw/zinc/59/66/04/569596604.db2.gz	YRLWOVZLMVLLNE-JQIJEIRASA-N	0	0	465.465	6.623	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1	ZINC000057313243	569596608	/nfs/dbraw/zinc/59/66/08/569596608.db2.gz	MVEXSPYOMSHLDJ-UKTHLTGXSA-N	0	0	499.910	7.277	40	5		JKBBRN
CCOC(=O)c1c2c(sc1NC(=O)/C=C/c1ccc(-c3ccccc3[N+](=O)[O-])o1)CCCC2	ZINC000057313522	569596715	/nfs/dbraw/zinc/59/67/15/569596715.db2.gz	WOXCUOJSPSYPQD-WYMLVPIESA-N	0	0	466.515	5.624	40	5		JKBBRN
O=C(Nc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1)c1cc2ccccc2o1	ZINC000057314122	569596857	/nfs/dbraw/zinc/59/68/57/569596857.db2.gz	XTDUUJBYORALBM-UHFFFAOYSA-N	0	0	491.912	6.714	40	5		JKBBRN
COc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1	ZINC000057314185	569596973	/nfs/dbraw/zinc/59/69/73/569596973.db2.gz	OTILYKALAYPHAI-NTCAYCPXSA-N	0	0	481.464	6.324	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000057315815	569597220	/nfs/dbraw/zinc/59/72/20/569597220.db2.gz	CNQZZGAXSZOBOU-DHZHZOJOSA-N	0	0	472.320	5.144	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2[N+](=O)[O-])CC1	ZINC000057315934	569597332	/nfs/dbraw/zinc/59/73/32/569597332.db2.gz	CQKABKOFZARSBE-UHFFFAOYSA-N	0	0	492.963	5.989	40	5		JKBBRN
Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)ccc2o1	ZINC000057315988	569597341	/nfs/dbraw/zinc/59/73/41/569597341.db2.gz	GYQRHCFZLHSHEU-UHFFFAOYSA-N	0	0	470.529	6.200	40	5		JKBBRN
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057316035	569597351	/nfs/dbraw/zinc/59/73/51/569597351.db2.gz	WZBUFNMRUSKHBT-UHFFFAOYSA-N	0	0	468.762	6.753	40	5		JKBBRN
Cc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)c1	ZINC000057316049	569597496	/nfs/dbraw/zinc/59/74/96/569597496.db2.gz	VNCYFUAWXKRBBA-UHFFFAOYSA-N	0	0	470.529	6.200	40	5		JKBBRN
Cc1cccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)c1	ZINC000057316153	569597515	/nfs/dbraw/zinc/59/75/15/569597515.db2.gz	OAHZTIALFJJUAS-JQIJEIRASA-N	0	0	467.481	6.067	40	5		JKBBRN
Cc1nnc2sc(-c3ccccc3NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)nn12	ZINC000057316215	569597549	/nfs/dbraw/zinc/59/75/49/569597549.db2.gz	XAPSHPZCADGHKB-UHFFFAOYSA-N	0	0	470.923	5.190	40	5		JKBBRN
O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000057317031	569598234	/nfs/dbraw/zinc/59/82/34/569598234.db2.gz	NGGLVDOHHOONRR-UHFFFAOYSA-N	0	0	470.323	5.148	40	5		JKBBRN
O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000057317044	569598247	/nfs/dbraw/zinc/59/82/47/569598247.db2.gz	KDIDRVDFSCASAG-UHFFFAOYSA-N	0	0	484.350	5.538	40	5		JKBBRN
CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12	ZINC000057316992	569598257	/nfs/dbraw/zinc/59/82/57/569598257.db2.gz	DTNXKVYUBSLSBF-ACCUITESSA-N	0	0	486.513	5.235	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)NCc3ccc(-c4ccc(Br)cc4)o3)cc2[N+](=O)[O-])CC1	ZINC000057317090	569598327	/nfs/dbraw/zinc/59/83/27/569598327.db2.gz	QWFDRHFUJZLJMZ-UHFFFAOYSA-N	0	0	498.377	5.784	40	5		JKBBRN
O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000057317079	569598368	/nfs/dbraw/zinc/59/83/68/569598368.db2.gz	DUVFFEVOMFCZAM-UHFFFAOYSA-N	0	0	467.275	5.807	40	5		JKBBRN
CC1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2Cl)CC1	ZINC000059294243	569602473	/nfs/dbraw/zinc/60/24/73/569602473.db2.gz	LYLQSCROOIXNOH-UHFFFAOYSA-N	0	0	464.374	6.605	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000059294608	569602658	/nfs/dbraw/zinc/60/26/58/569602658.db2.gz	JTDQHNMGIRGUSC-UHFFFAOYSA-N	0	0	467.865	6.663	40	5		JKBBRN
Cc1cccc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)c4c(ccc5ccccc54)n3)cc2)c1	ZINC000059417682	569602967	/nfs/dbraw/zinc/60/29/67/569602967.db2.gz	HJTFBYDBJIGJAN-UHFFFAOYSA-N	0	0	464.568	8.283	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3)c[nH]c2c1	ZINC000059459169	569604090	/nfs/dbraw/zinc/60/40/90/569604090.db2.gz	LWJDESNEOANBHO-UHFFFAOYSA-N	0	0	496.379	6.923	40	5		JKBBRN
COc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000059463626	569604322	/nfs/dbraw/zinc/60/43/22/569604322.db2.gz	UKMXERBGCPGKBB-UHFFFAOYSA-N	0	0	476.470	5.554	40	5		JKBBRN
Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000059463634	569604350	/nfs/dbraw/zinc/60/43/50/569604350.db2.gz	CETUUDAVERXRGQ-UHFFFAOYSA-N	0	0	474.498	6.163	40	5		JKBBRN
O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000059474817	569604523	/nfs/dbraw/zinc/60/45/23/569604523.db2.gz	WJYSTYUVDQNNGK-UHFFFAOYSA-N	0	0	492.582	5.507	40	5		JKBBRN
CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1	ZINC000059482980	569604844	/nfs/dbraw/zinc/60/48/44/569604844.db2.gz	PLVSDXYDRVMCDY-QHCPKHFHSA-N	0	0	474.502	5.444	40	5		JKBBRN
CC1=NN(c2ccccc2)[C@]2(SC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000059482990	569604859	/nfs/dbraw/zinc/60/48/59/569604859.db2.gz	MZINCGZQTYLKQV-MUUNZHRXSA-N	0	0	491.576	6.565	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1	ZINC000059559229	569606876	/nfs/dbraw/zinc/60/68/76/569606876.db2.gz	NQOAEVHTFWCYJY-MDWZMJQESA-N	0	0	476.964	5.222	40	5		JKBBRN
C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)[N+](=O)[O-]	ZINC000033413222	569626080	/nfs/dbraw/zinc/62/60/80/569626080.db2.gz	QDQWZUNCJKZKOV-RMKNXTFCSA-N	0	0	475.520	5.722	40	5		JKBBRN
C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc(C)cc1)[N+](=O)[O-]	ZINC000033636568	569629355	/nfs/dbraw/zinc/62/93/55/569629355.db2.gz	NOVRRJZRMVLIQJ-YRNVUSSQSA-N	0	0	455.102	5.377	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Cl)cc1	ZINC000033713376	569631450	/nfs/dbraw/zinc/63/14/50/569631450.db2.gz	NVAKCSKQJFUGRT-UHFFFAOYSA-N	0	0	482.005	5.321	40	5		JKBBRN
COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1	ZINC000033733604	569632611	/nfs/dbraw/zinc/63/26/11/569632611.db2.gz	JOAQWCUVYLQVLW-SREVYHEPSA-N	0	0	463.259	5.551	40	5		JKBBRN
CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C	ZINC000033747488	569633427	/nfs/dbraw/zinc/63/34/27/569633427.db2.gz	PUNZJXHBOPCVSE-IBGZPJMESA-N	0	0	473.986	5.186	40	5		JKBBRN
O=C1[C@H](c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000033926909	569637755	/nfs/dbraw/zinc/63/77/55/569637755.db2.gz	CACWZHSYVDZDDS-JUDWXZBOSA-N	0	0	493.519	6.025	40	5		JKBBRN
O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000034880630	569668707	/nfs/dbraw/zinc/66/87/07/569668707.db2.gz	TWFYCSBUUURGOJ-UHFFFAOYSA-N	0	0	484.965	5.625	40	5		JKBBRN
O=C(Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000035074842	569674226	/nfs/dbraw/zinc/67/42/26/569674226.db2.gz	RPVRSYYTRQJMJX-UHFFFAOYSA-N	0	0	475.464	5.994	40	5		JKBBRN
C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1[N+](=O)[O-]	ZINC000072229348	569700674	/nfs/dbraw/zinc/70/06/74/569700674.db2.gz	AIZNDLVENKOJSA-GFCCVEGCSA-N	0	0	452.736	5.642	40	5		JKBBRN
CC1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229278	569700589	/nfs/dbraw/zinc/70/05/89/569700589.db2.gz	ZWDUNTTWRBZRCC-UHFFFAOYSA-N	0	0	452.736	5.499	40	5		JKBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1c(C)cc(Br)cc1Br	ZINC000072228860	569700664	/nfs/dbraw/zinc/70/06/64/569700664.db2.gz	MELRTADOLGYJDV-UHFFFAOYSA-N	0	0	486.160	5.317	40	5		JKBBRN
Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1c(C)cc(Br)cc1Br	ZINC000072228859	569700665	/nfs/dbraw/zinc/70/06/65/569700665.db2.gz	JPRBOCIJQDRRSJ-UHFFFAOYSA-N	0	0	472.133	5.063	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000072230003	569700734	/nfs/dbraw/zinc/70/07/34/569700734.db2.gz	WZGSSNHIBAHZRR-QHCPKHFHSA-N	0	0	451.910	5.182	40	5		JKBBRN
O=Cc1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000035657390	569706083	/nfs/dbraw/zinc/70/60/83/569706083.db2.gz	XQUVWXUTHBLLCO-UHFFFAOYSA-N	0	0	469.007	5.743	40	5		JKBBRN
CCOC(OCC)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)N32)cc1	ZINC000095101143	569721735	/nfs/dbraw/zinc/72/17/35/569721735.db2.gz	KGEYAYVLHDNGOM-KDFQGOFQSA-N	0	0	457.530	5.593	40	5		JKBBRN
Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000035955702	569736311	/nfs/dbraw/zinc/73/63/11/569736311.db2.gz	QEKIEKMHKQUNFP-XVOBZGQLSA-N	0	0	499.592	5.030	40	5		JKBBRN
O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000036007854	569747758	/nfs/dbraw/zinc/74/77/58/569747758.db2.gz	UHPPXIHCOSIWHP-KYVQNOJUSA-N	0	0	482.923	5.672	40	5		JKBBRN
O=[N+]([O-])c1ccc(Oc2cc(Oc3ccc([N+](=O)[O-])cc3)cc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000097956657	569747814	/nfs/dbraw/zinc/74/78/14/569747814.db2.gz	DXYUVOVIDRJKFE-UHFFFAOYSA-N	0	0	489.396	6.788	40	5		JKBBRN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1	ZINC000036020244	569750074	/nfs/dbraw/zinc/75/00/74/569750074.db2.gz	MUSCJXZNWNRCOK-FPUALCIBSA-N	0	0	470.549	9.486	40	5		JKBBRN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1	ZINC000036020242	569750106	/nfs/dbraw/zinc/75/01/06/569750106.db2.gz	MUSCJXZNWNRCOK-OWDCXRFMSA-N	0	0	470.549	9.486	40	5		JKBBRN
CCN(CC)c1oc2ccc3ccccc3c2c(=O)c1CCc1cccc(OC)c1C(=O)OC	ZINC000100032917	569751627	/nfs/dbraw/zinc/75/16/27/569751627.db2.gz	WQHFVWSPYJVZBZ-UHFFFAOYSA-N	0	0	459.542	5.373	40	5		JKBBRN
O=[N+]([O-])c1ccc(SCCCCCCSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000100985204	569778604	/nfs/dbraw/zinc/77/86/04/569778604.db2.gz	ZSJAEGLWXCUCKA-UHFFFAOYSA-N	0	0	482.496	5.764	40	5		JKBBRN
Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2c4ccccc4cc4ccccc42)N(c2ccccc2)O3)cc1	ZINC000101101595	569782818	/nfs/dbraw/zinc/78/28/18/569782818.db2.gz	JPCDTXWJEMQXSW-JBOQNHBVSA-N	0	0	484.555	6.353	40	5		JKBBRN
Cc1ccc(Sc2nc(Nc3ccc([N+](=O)[O-])cc3)sc2Sc2ccc(C)cc2)cc1	ZINC000038335870	569801429	/nfs/dbraw/zinc/80/14/29/569801429.db2.gz	IITMXILKCIMDQZ-UHFFFAOYSA-N	0	0	465.625	7.714	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000039750733	569811343	/nfs/dbraw/zinc/81/13/43/569811343.db2.gz	CBFARTMKRCCAIU-AWNIVKPZSA-N	0	0	489.875	5.202	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2cccc3ccccc32)cc1	ZINC000039762953	569811576	/nfs/dbraw/zinc/81/15/76/569811576.db2.gz	AZFVWUPNHDKIED-UHFFFAOYSA-N	0	0	479.452	5.303	40	5		JKBBRN
O=C(/C=C/c1cccs1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1	ZINC000039762784	569811613	/nfs/dbraw/zinc/81/16/13/569811613.db2.gz	JCWWKARWNNWZTC-ZHACJKMWSA-N	0	0	477.527	5.079	40	5		JKBBRN
O=C1[C@@H]2[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccccc1	ZINC000102723457	569817473	/nfs/dbraw/zinc/81/74/73/569817473.db2.gz	YAGSEIQCOXLKEW-DSITVLBTSA-N	0	0	497.532	5.374	40	5		JKBBRN
O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(F)cc1	ZINC000102741969	569819355	/nfs/dbraw/zinc/81/93/55/569819355.db2.gz	KHIKRHXUAYKXPT-SDHSZQHLSA-N	0	0	499.454	5.045	40	5		JKBBRN
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000102761716	569822199	/nfs/dbraw/zinc/82/21/99/569822199.db2.gz	DBBQJJJRVZFRHU-SDHOMARFSA-N	0	0	499.910	5.453	40	5		JKBBRN
O=C1[C@@H]2[C@H](c3cc([N+](=O)[O-])ccc3Cl)N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000102761715	569822221	/nfs/dbraw/zinc/82/22/21/569822221.db2.gz	DBBQJJJRVZFRHU-DSITVLBTSA-N	0	0	499.910	5.453	40	5		JKBBRN
O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000102761720	569822328	/nfs/dbraw/zinc/82/23/28/569822328.db2.gz	DBBQJJJRVZFRHU-GVAUOCQISA-N	0	0	499.910	5.453	40	5		JKBBRN
O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1Cc1ccccc1Cl	ZINC000040398710	569825951	/nfs/dbraw/zinc/82/59/51/569825951.db2.gz	YMNJOWZXBDMWIW-UHFFFAOYSA-N	0	0	482.754	5.709	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1Br	ZINC000106727924	569855227	/nfs/dbraw/zinc/85/52/27/569855227.db2.gz	MPPCGGFRESWPKL-NVNXTCNLSA-N	0	0	453.701	5.247	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1	ZINC000106685904	569854602	/nfs/dbraw/zinc/85/46/02/569854602.db2.gz	FUEGHCISJWWMLO-JAIQZWGSSA-N	0	0	470.890	5.753	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1F	ZINC000106697144	569854748	/nfs/dbraw/zinc/85/47/48/569854748.db2.gz	CSYRKDMWQSKPKQ-ODLFYWEKSA-N	0	0	451.435	5.158	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000106697961	569854756	/nfs/dbraw/zinc/85/47/56/569854756.db2.gz	RPJRMADCWMOUOM-QRVIBDJDSA-N	0	0	494.500	5.558	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl	ZINC000106699047	569854776	/nfs/dbraw/zinc/85/47/76/569854776.db2.gz	YKCVQMXLNNVNDZ-TVPGTPATSA-N	0	0	478.140	6.445	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1	ZINC000106702916	569854834	/nfs/dbraw/zinc/85/48/34/569854834.db2.gz	RVUNSQWTUYNPEX-UUYOSTAYSA-N	0	0	491.481	5.840	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	ZINC000106705745	569854885	/nfs/dbraw/zinc/85/48/85/569854885.db2.gz	NTZMRBBYHOQDTN-BKUYFWCQSA-N	0	0	477.498	5.336	40	5		JKBBRN
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl	ZINC000106712197	569855031	/nfs/dbraw/zinc/85/50/31/569855031.db2.gz	VGUQREIUSQFROZ-ODLFYWEKSA-N	0	0	474.325	5.929	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1	ZINC000106724478	569855137	/nfs/dbraw/zinc/85/51/37/569855137.db2.gz	ATTIRPYXTCYYOV-JAIQZWGSSA-N	0	0	499.342	6.162	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2cccc3ccccc32)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106728601	569855208	/nfs/dbraw/zinc/85/52/08/569855208.db2.gz	NYNXGOCCHBQJPD-QQXSKIMKSA-N	0	0	496.544	6.564	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106727429	569855246	/nfs/dbraw/zinc/85/52/46/569855246.db2.gz	VDSLJHILHUCSLP-CFRMEGHHSA-N	0	0	487.512	5.973	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000106735270	569855290	/nfs/dbraw/zinc/85/52/90/569855290.db2.gz	JIDIDMKFSXWLPF-TVPGTPATSA-N	0	0	461.685	5.931	40	5		JKBBRN
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000106741208	569855376	/nfs/dbraw/zinc/85/53/76/569855376.db2.gz	ALFBQCIFBOXCQO-ODLFYWEKSA-N	0	0	457.870	5.415	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106745932	569855422	/nfs/dbraw/zinc/85/54/22/569855422.db2.gz	UKULJVRAPPNXKM-OYKKKHCWSA-N	0	0	469.522	5.834	40	5		JKBBRN
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C	ZINC000107647649	569856837	/nfs/dbraw/zinc/85/68/37/569856837.db2.gz	CKLYRPQFSVGNSO-LJQANCHMSA-N	0	0	473.986	5.279	40	5		JKBBRN
O=C(Oc1c(Br)cc(Br)cc1/C=C/[N+](=O)[O-])c1ccc(Cl)cc1Cl	ZINC000107982680	569858142	/nfs/dbraw/zinc/85/81/42/569858142.db2.gz	OMSAFQJBFYAMIA-ONEGZZNKSA-N	0	0	495.938	5.985	40	5		JKBBRN
COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)c4ccc([N+](=O)[O-])cc4)sc3n2)cc1	ZINC000108605785	569859565	/nfs/dbraw/zinc/85/95/65/569859565.db2.gz	NTSJHDDMBZVPPQ-UHFFFAOYSA-N	0	0	495.560	6.669	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1	ZINC000113928929	569862290	/nfs/dbraw/zinc/86/22/90/569862290.db2.gz	MVLNLIIZKQRFLL-MHZLTWQESA-N	0	0	494.507	5.864	40	5		JKBBRN
C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]3(C)[C@H]1CC2	ZINC000118925233	569863741	/nfs/dbraw/zinc/86/37/41/569863741.db2.gz	GILPMOAHSFSFMF-IXKNJLPQSA-N	0	0	468.550	6.381	40	5		JKBBRN
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000123228998	569864269	/nfs/dbraw/zinc/86/42/69/569864269.db2.gz	JQQAXXNZGKFEGG-FDXOKOSPSA-N	0	0	468.122	7.085	40	5		JKBBRN
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@H]([N+](=O)[O-])C[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12	ZINC000123235690	569864273	/nfs/dbraw/zinc/86/42/73/569864273.db2.gz	LKHJDALEYCAKSL-OAQJTHNDSA-N	0	0	475.714	7.295	40	5		JKBBRN
O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1cccc([N+](=O)[O-])c1	ZINC000138524389	569865882	/nfs/dbraw/zinc/86/58/82/569865882.db2.gz	HRRDTPYGCKINRA-ACKJMCFBSA-N	0	0	491.503	5.296	40	5		JKBBRN
Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2C)cc1	ZINC000138685935	569866249	/nfs/dbraw/zinc/86/62/49/569866249.db2.gz	OTHBHHSFHWAOKV-UHFFFAOYSA-N	0	0	469.497	5.531	40	5		JKBBRN
O=C(Nc1ccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000139074313	569867006	/nfs/dbraw/zinc/86/70/06/569867006.db2.gz	YPDYVWCGSRFDAD-VGNMNXCYSA-N	0	0	491.503	5.296	40	5		JKBBRN
Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2C)cc1	ZINC000139123103	569867231	/nfs/dbraw/zinc/86/72/31/569867231.db2.gz	QWGIXERHUUOMPT-UHFFFAOYSA-N	0	0	455.470	5.222	40	5		JKBBRN
O=C(CSc1nc2ccccc2s1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000142929959	569867560	/nfs/dbraw/zinc/86/75/60/569867560.db2.gz	MOSJVMPCMGEBEF-UHFFFAOYSA-N	0	0	453.570	6.087	40	5		JKBBRN
O=c1/c(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)sc2nc3ccccc3n12	ZINC000169091618	569868123	/nfs/dbraw/zinc/86/81/23/569868123.db2.gz	YVDOCMBJVSCORO-JAIQZWGSSA-N	0	0	498.347	5.251	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000205698958	569874179	/nfs/dbraw/zinc/87/41/79/569874179.db2.gz	MGDIMRBLFURNSL-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000205700773	569874199	/nfs/dbraw/zinc/87/41/99/569874199.db2.gz	TZVXFJLUEOFLDW-RGVLZGJSSA-N	0	0	465.443	5.308	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc(Cl)cc1	ZINC000210809466	569875982	/nfs/dbraw/zinc/87/59/82/569875982.db2.gz	LZFGWXAIEAHAIU-OEAKJJBVSA-N	0	0	472.953	6.321	40	5		JKBBRN
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O	ZINC000210807545	569876032	/nfs/dbraw/zinc/87/60/32/569876032.db2.gz	VGDFUAVGFNBWEQ-BUVRLJJBSA-N	0	0	452.535	5.976	40	5		JKBBRN
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1	ZINC000210813206	569876048	/nfs/dbraw/zinc/87/60/48/569876048.db2.gz	RUGFDGIWGJBQRE-BUVRLJJBSA-N	0	0	468.534	5.677	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1	ZINC000214042015	569876222	/nfs/dbraw/zinc/87/62/22/569876222.db2.gz	TYEUFEDLXYLFFK-CIAFOILYSA-N	0	0	477.454	5.532	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1	ZINC000214081781	569876274	/nfs/dbraw/zinc/87/62/74/569876274.db2.gz	ICUZCOOEZRRNNS-RGVLZGJSSA-N	0	0	470.890	5.753	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000214181885	569876376	/nfs/dbraw/zinc/87/63/76/569876376.db2.gz	ICRLPVZUTYRQEN-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000214170683	569876387	/nfs/dbraw/zinc/87/63/87/569876387.db2.gz	HVEJYIXRRRKGRP-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214136623	569876408	/nfs/dbraw/zinc/87/64/08/569876408.db2.gz	LJNRYJKRZWKXMK-RGVLZGJSSA-N	0	0	454.891	6.053	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(F)cc1	ZINC000214242867	569876485	/nfs/dbraw/zinc/87/64/85/569876485.db2.gz	HZJAXEOTFWFKJG-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1F	ZINC000214324999	569876539	/nfs/dbraw/zinc/87/65/39/569876539.db2.gz	IATGTPGLPHXLDG-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000214362121	569876614	/nfs/dbraw/zinc/87/66/14/569876614.db2.gz	KIHUPSXPYOAMBP-RGVLZGJSSA-N	0	0	481.461	5.166	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1F	ZINC000214358622	569876622	/nfs/dbraw/zinc/87/66/22/569876622.db2.gz	NJPYSONDFYLWQO-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214406181	569876646	/nfs/dbraw/zinc/87/66/46/569876646.db2.gz	NYXAFINRETXKBE-KEBDBYFISA-N	0	0	489.336	6.707	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1	ZINC000214449808	569876714	/nfs/dbraw/zinc/87/67/14/569876714.db2.gz	MLUBVGDNJLSMJS-OEAKJJBVSA-N	0	0	460.511	5.719	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1	ZINC000214458953	569876722	/nfs/dbraw/zinc/87/67/22/569876722.db2.gz	CVTOGORFXJDCBQ-RGVLZGJSSA-N	0	0	454.891	6.053	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1	ZINC000214602480	569876736	/nfs/dbraw/zinc/87/67/36/569876736.db2.gz	KTHPTFGGUIBVDE-WSDLNYQXSA-N	0	0	491.481	5.840	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1	ZINC000214609380	569876740	/nfs/dbraw/zinc/87/67/40/569876740.db2.gz	JKEQZBLGKMBFMT-WSDLNYQXSA-N	0	0	491.481	5.840	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1c(Cl)cccc1Cl	ZINC000214787616	569876952	/nfs/dbraw/zinc/87/69/52/569876952.db2.gz	ZOBYGHNYRGZYTA-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214814983	569876956	/nfs/dbraw/zinc/87/69/56/569876956.db2.gz	RLFJYPLLBHKPPA-KEBDBYFISA-N	0	0	489.336	6.707	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214795216	569876961	/nfs/dbraw/zinc/87/69/61/569876961.db2.gz	PMTGXBBOJCUGKI-KEBDBYFISA-N	0	0	489.336	6.707	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214895539	569877002	/nfs/dbraw/zinc/87/70/02/569877002.db2.gz	FTMCUMJBFGESAA-RGVLZGJSSA-N	0	0	499.342	6.162	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc54)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214842545	569877018	/nfs/dbraw/zinc/87/70/18/569877018.db2.gz	AVWVTBIKLDKQEL-ZVHZXABRSA-N	0	0	486.505	6.253	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1cccc2ccccc21	ZINC000214948967	569877068	/nfs/dbraw/zinc/87/70/68/569877068.db2.gz	WFODGUACVNFVPG-WGOQTCKBSA-N	0	0	496.544	6.564	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1O[C@@H](C)CC	ZINC000215010142	569877125	/nfs/dbraw/zinc/87/71/25/569877125.db2.gz	NJECNARPVLGTHV-PCXKXAPESA-N	0	0	456.520	5.407	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000215028834	569877126	/nfs/dbraw/zinc/87/71/26/569877126.db2.gz	CGFGOAKIICCTQP-SRZZPIQSSA-N	0	0	479.470	5.616	40	5		JKBBRN
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1	ZINC000214987565	569877129	/nfs/dbraw/zinc/87/71/29/569877129.db2.gz	FSRGCTVWDQDWFS-FYJGNVAPSA-N	0	0	478.482	5.268	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccccc1Br	ZINC000215092955	569877149	/nfs/dbraw/zinc/87/71/49/569877149.db2.gz	VCFVIBLZRXORBV-YBFXNURJSA-N	0	0	485.315	5.854	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])c1	ZINC000215056767	569877184	/nfs/dbraw/zinc/87/71/84/569877184.db2.gz	JSVIQWAHRHNFFF-RGVLZGJSSA-N	0	0	499.342	6.162	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000215254586	569877259	/nfs/dbraw/zinc/87/72/59/569877259.db2.gz	ZKHAYTPQLUVJGT-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000215245616	569877295	/nfs/dbraw/zinc/87/72/95/569877295.db2.gz	JQWRLAHUXLDIFN-XQNSMLJCSA-N	0	0	476.510	5.289	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1c(F)cccc1Cl	ZINC000215280982	569877330	/nfs/dbraw/zinc/87/73/30/569877330.db2.gz	XBOQPYRFTDTVCL-DJKKODMXSA-N	0	0	493.299	6.537	40	5		JKBBRN
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21	ZINC000222716260	569889414	/nfs/dbraw/zinc/88/94/14/569889414.db2.gz	GIUAJPMCSYTDJS-JQOQJDEVSA-N	0	0	450.520	5.238	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1	ZINC000223119045	569899943	/nfs/dbraw/zinc/89/99/43/569899943.db2.gz	VTVCNVXSPCEKSZ-BJKOFHAPSA-N	0	0	478.574	5.564	40	5		JKBBRN
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000223316907	569907247	/nfs/dbraw/zinc/90/72/47/569907247.db2.gz	KADRWVQONTWITR-OAQYLSRUSA-N	0	0	492.041	5.204	40	5		JKBBRN
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000223316849	569907271	/nfs/dbraw/zinc/90/72/71/569907271.db2.gz	KADRWVQONTWITR-NRFANRHFSA-N	0	0	492.041	5.204	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223320832	569907405	/nfs/dbraw/zinc/90/74/05/569907405.db2.gz	QXHJMBPTBVCNBY-WXVAWEFUSA-N	0	0	487.600	5.001	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223403358	569910036	/nfs/dbraw/zinc/91/00/36/569910036.db2.gz	IVBFWPNYAXUHGV-LOSJGSFVSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223403255	569910047	/nfs/dbraw/zinc/91/00/47/569910047.db2.gz	IVBFWPNYAXUHGV-JWQCQUIFSA-N	0	0	486.553	5.431	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1	ZINC000223406878	569910169	/nfs/dbraw/zinc/91/01/69/569910169.db2.gz	CFUVXHXCTQPFDQ-BJKOFHAPSA-N	0	0	456.527	5.423	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223433420	569911258	/nfs/dbraw/zinc/91/12/58/569911258.db2.gz	YJDLXXSJXAJMPE-AJTFRIOCSA-N	0	0	487.600	5.001	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223446032	569911586	/nfs/dbraw/zinc/91/15/86/569911586.db2.gz	GMZYFTCXYNFXGF-LOSJGSFVSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223445984	569911601	/nfs/dbraw/zinc/91/16/01/569911601.db2.gz	GMZYFTCXYNFXGF-RPBOFIJWSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223446155	569911622	/nfs/dbraw/zinc/91/16/22/569911622.db2.gz	FNQASHCNXUWEIF-DQEYMECFSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223446080	569911631	/nfs/dbraw/zinc/91/16/31/569911631.db2.gz	GMZYFTCXYNFXGF-JWQCQUIFSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223446321	569911641	/nfs/dbraw/zinc/91/16/41/569911641.db2.gz	FNQASHCNXUWEIF-JWQCQUIFSA-N	0	0	486.553	5.431	40	5		JKBBRN
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223452150	569911791	/nfs/dbraw/zinc/91/17/91/569911791.db2.gz	XSJTZNKLQFTOTC-IBGZPJMESA-N	0	0	480.392	5.166	40	5		JKBBRN
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223499284	569913660	/nfs/dbraw/zinc/91/36/60/569913660.db2.gz	OBVJXRAMKRIPEK-LJQANCHMSA-N	0	0	480.392	5.166	40	5		JKBBRN
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223499224	569913691	/nfs/dbraw/zinc/91/36/91/569913691.db2.gz	OBVJXRAMKRIPEK-IBGZPJMESA-N	0	0	480.392	5.166	40	5		JKBBRN
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223543878	569915395	/nfs/dbraw/zinc/91/53/95/569915395.db2.gz	MBVTVLOUHXSSEJ-IBGZPJMESA-N	0	0	480.392	5.166	40	5		JKBBRN
CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000223749484	569922053	/nfs/dbraw/zinc/92/20/53/569922053.db2.gz	VGGGQVBGCVYVCL-JOCHJYFZSA-N	0	0	492.041	5.205	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223782800	569923208	/nfs/dbraw/zinc/92/32/08/569923208.db2.gz	OPUCXQPATCPDGN-RPWUZVMVSA-N	0	0	472.526	5.436	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000223830162	569924563	/nfs/dbraw/zinc/92/45/63/569924563.db2.gz	HGPALJHWEJRCRU-LOSJGSFVSA-N	0	0	485.569	5.356	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223841235	569924868	/nfs/dbraw/zinc/92/48/68/569924868.db2.gz	ROGYTNZJJMSZNA-DQEYMECFSA-N	0	0	486.553	5.826	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223841663	569924903	/nfs/dbraw/zinc/92/49/03/569924903.db2.gz	DWKUNRHONIEVBR-JWQCQUIFSA-N	0	0	486.553	5.826	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1	ZINC000223880877	569926108	/nfs/dbraw/zinc/92/61/08/569926108.db2.gz	VQCYRGUTTFWNHL-PKTZIBPZSA-N	0	0	458.499	5.133	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1	ZINC000223881184	569926117	/nfs/dbraw/zinc/92/61/17/569926117.db2.gz	XLPRHRMBLZTBNF-XZOQPEGZSA-N	0	0	458.499	5.133	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223918340	569927245	/nfs/dbraw/zinc/92/72/45/569927245.db2.gz	IBDVVYJPLGBIKJ-JWQCQUIFSA-N	0	0	485.569	5.493	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223918287	569927260	/nfs/dbraw/zinc/92/72/60/569927260.db2.gz	IBDVVYJPLGBIKJ-LOSJGSFVSA-N	0	0	485.569	5.493	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223989941	569929637	/nfs/dbraw/zinc/92/96/37/569929637.db2.gz	GHVXCBOFWQEPBW-RPBOFIJWSA-N	0	0	499.552	5.385	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223997936	569929870	/nfs/dbraw/zinc/92/98/70/569929870.db2.gz	DZWXDGJSYPPNNT-JWQCQUIFSA-N	0	0	499.552	5.385	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223998011	569929903	/nfs/dbraw/zinc/92/99/03/569929903.db2.gz	DQBUQQFDGTZMDF-DQEYMECFSA-N	0	0	499.552	5.385	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1	ZINC000224036921	569931430	/nfs/dbraw/zinc/93/14/30/569931430.db2.gz	LWVMJCQZYHKVGR-RPWUZVMVSA-N	0	0	486.509	5.156	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1	ZINC000224037165	569931452	/nfs/dbraw/zinc/93/14/52/569931452.db2.gz	QTALHFGZEVBEKP-RPWUZVMVSA-N	0	0	486.509	5.156	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1	ZINC000224037108	569931457	/nfs/dbraw/zinc/93/14/57/569931457.db2.gz	QTALHFGZEVBEKP-DNQXCXABSA-N	0	0	486.509	5.156	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224157251	569934823	/nfs/dbraw/zinc/93/48/23/569934823.db2.gz	WWKZDRWQWAXICI-XMMPIXPASA-N	0	0	483.634	5.003	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1	ZINC000224185092	569935640	/nfs/dbraw/zinc/93/56/40/569935640.db2.gz	PENFXJBLQVLKAB-RPWUZVMVSA-N	0	0	472.526	5.436	40	5		JKBBRN
Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C	ZINC000224196909	569936066	/nfs/dbraw/zinc/93/60/66/569936066.db2.gz	RIBAFUCCGRISNP-SANMLTNESA-N	0	0	487.600	5.001	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224213199	569936747	/nfs/dbraw/zinc/93/67/47/569936747.db2.gz	JJCBYBWLUWAYKA-RPWUZVMVSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224215463	569936806	/nfs/dbraw/zinc/93/68/06/569936806.db2.gz	ZVFUAJNQHHVJDY-ZEQRLZLVSA-N	0	0	456.527	5.735	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1	ZINC000224218748	569936951	/nfs/dbraw/zinc/93/69/51/569936951.db2.gz	BLKGSFTYAPIOCW-JWQCQUIFSA-N	0	0	486.553	5.744	40	5		JKBBRN
Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1	ZINC000224228975	569937230	/nfs/dbraw/zinc/93/72/30/569937230.db2.gz	WJLYPZQEUHWMEQ-SANMLTNESA-N	0	0	487.600	5.001	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224247949	569938018	/nfs/dbraw/zinc/93/80/18/569938018.db2.gz	CWLMVSGLKKBFSB-ZEQRLZLVSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224254691	569938223	/nfs/dbraw/zinc/93/82/23/569938223.db2.gz	XHDPJYUSXLJISX-DNQXCXABSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C	ZINC000224278440	569939038	/nfs/dbraw/zinc/93/90/38/569939038.db2.gz	COODTFVAJXJTDQ-DQEYMECFSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000224278697	569939040	/nfs/dbraw/zinc/93/90/40/569939040.db2.gz	AYNZWEIUJWPMOS-LOSJGSFVSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C	ZINC000224278568	569939061	/nfs/dbraw/zinc/93/90/61/569939061.db2.gz	COODTFVAJXJTDQ-JWQCQUIFSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C	ZINC000224278484	569939078	/nfs/dbraw/zinc/93/90/78/569939078.db2.gz	COODTFVAJXJTDQ-RPBOFIJWSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C	ZINC000224280934	569939171	/nfs/dbraw/zinc/93/91/71/569939171.db2.gz	JTNGBWNXIIYFGK-JWQCQUIFSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1	ZINC000224313146	569940081	/nfs/dbraw/zinc/94/00/81/569940081.db2.gz	MCBNOXOFFGSRNE-DQEYMECFSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1	ZINC000224313197	569940086	/nfs/dbraw/zinc/94/00/86/569940086.db2.gz	MCBNOXOFFGSRNE-RPBOFIJWSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224322302	569940513	/nfs/dbraw/zinc/94/05/13/569940513.db2.gz	ZBKDHPOZKUOPTF-RPBOFIJWSA-N	0	0	470.554	6.044	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224345690	569941329	/nfs/dbraw/zinc/94/13/29/569941329.db2.gz	KTHDXBZXYUHAHS-RPBOFIJWSA-N	0	0	469.570	5.520	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224354629	569941711	/nfs/dbraw/zinc/94/17/11/569941711.db2.gz	ANQAHXJPDVQWOH-RPBOFIJWSA-N	0	0	470.554	5.989	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224380357	569942600	/nfs/dbraw/zinc/94/26/00/569942600.db2.gz	MMOKTWKZURPYQM-UIOOFZCWSA-N	0	0	484.581	6.550	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224386932	569942873	/nfs/dbraw/zinc/94/28/73/569942873.db2.gz	AECILSYTIXBVES-UIOOFZCWSA-N	0	0	484.581	6.550	40	5		JKBBRN
CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224396348	569943181	/nfs/dbraw/zinc/94/31/81/569943181.db2.gz	YEYCFHLSDHOWPQ-HXUWFJFHSA-N	0	0	498.432	5.078	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224411408	569943792	/nfs/dbraw/zinc/94/37/92/569943792.db2.gz	FFPFBANLKWGVAP-NRFANRHFSA-N	0	0	492.403	5.310	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224412069	569943823	/nfs/dbraw/zinc/94/38/23/569943823.db2.gz	XJNYBLAIYLFYDM-GOTSBHOMSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224451796	569944952	/nfs/dbraw/zinc/94/49/52/569944952.db2.gz	RACSCUPHXNYNFJ-XZOQPEGZSA-N	0	0	460.490	5.566	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1	ZINC000224482585	569945864	/nfs/dbraw/zinc/94/58/64/569945864.db2.gz	NCRIPZPOVUDLAS-DHIUTWEWSA-N	0	0	476.945	6.080	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1	ZINC000224482652	569945871	/nfs/dbraw/zinc/94/58/71/569945871.db2.gz	NCRIPZPOVUDLAS-XZOQPEGZSA-N	0	0	476.945	6.080	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1	ZINC000224482487	569945889	/nfs/dbraw/zinc/94/58/89/569945889.db2.gz	LCIBJRSBXOMSRL-XZOQPEGZSA-N	0	0	476.945	6.080	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C(C)(C)C	ZINC000224515810	569946981	/nfs/dbraw/zinc/94/69/81/569946981.db2.gz	ZROWFRIXLYAKTE-UHFFFAOYSA-N	0	0	462.546	6.431	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000224545631	569947868	/nfs/dbraw/zinc/94/78/68/569947868.db2.gz	GBVPRKCHWVJARF-DNQXCXABSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224552532	569948163	/nfs/dbraw/zinc/94/81/63/569948163.db2.gz	ILJUWMAOWNVLKS-DNQXCXABSA-N	0	0	472.526	5.436	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(-c2ccccc2)cc1	ZINC000224559987	569948433	/nfs/dbraw/zinc/94/84/33/569948433.db2.gz	VMSLVSDNBKJWKQ-UHFFFAOYSA-N	0	0	482.536	6.800	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000224581107	569949425	/nfs/dbraw/zinc/94/94/25/569949425.db2.gz	ARGKCSMDZUYZMR-BJKOFHAPSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000224581056	569949437	/nfs/dbraw/zinc/94/94/37/569949437.db2.gz	ARGKCSMDZUYZMR-RPWUZVMVSA-N	0	0	472.526	5.436	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccs3)cc2)cc1	ZINC000224760649	569956460	/nfs/dbraw/zinc/95/64/60/569956460.db2.gz	VSQBFGHTARQQHE-XZOQPEGZSA-N	0	0	490.635	6.380	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccs3)cc2)cc1	ZINC000224760602	569956483	/nfs/dbraw/zinc/95/64/83/569956483.db2.gz	VSQBFGHTARQQHE-PKTZIBPZSA-N	0	0	490.635	6.380	40	5		JKBBRN
Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000224780041	569957293	/nfs/dbraw/zinc/95/72/93/569957293.db2.gz	YDTBNWQNCIHLDZ-BJKOFHAPSA-N	0	0	487.610	5.657	40	5		JKBBRN
Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000224790177	569957695	/nfs/dbraw/zinc/95/76/95/569957695.db2.gz	PNZXEEQEETUBCA-DNQXCXABSA-N	0	0	487.610	5.657	40	5		JKBBRN
Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000224790311	569957733	/nfs/dbraw/zinc/95/77/33/569957733.db2.gz	PNZXEEQEETUBCA-ZEQRLZLVSA-N	0	0	487.610	5.657	40	5		JKBBRN
Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NC1CCCC1	ZINC000224792593	569957835	/nfs/dbraw/zinc/95/78/35/569957835.db2.gz	WRUUBASAWIQFJM-NDEPHWFRSA-N	0	0	499.611	5.145	40	5		JKBBRN
CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224847995	569960244	/nfs/dbraw/zinc/96/02/44/569960244.db2.gz	DBIPONLFWWUTRW-FQEVSTJZSA-N	0	0	480.392	5.024	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1	ZINC000224879054	569961526	/nfs/dbraw/zinc/96/15/26/569961526.db2.gz	ILDRYYWQAOJYQP-PKTZIBPZSA-N	0	0	491.960	5.317	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1	ZINC000224887390	569961929	/nfs/dbraw/zinc/96/19/29/569961929.db2.gz	BALQOEMNPSHEND-PKTZIBPZSA-N	0	0	492.944	5.786	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F	ZINC000224916756	569963303	/nfs/dbraw/zinc/96/33/03/569963303.db2.gz	IUJUNNAEZSIYKP-RPWUZVMVSA-N	0	0	474.517	5.874	40	5		JKBBRN
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F	ZINC000224916795	569963314	/nfs/dbraw/zinc/96/33/14/569963314.db2.gz	IUJUNNAEZSIYKP-BJKOFHAPSA-N	0	0	474.517	5.874	40	5		JKBBRN
Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-]	ZINC000224946921	569964450	/nfs/dbraw/zinc/96/44/50/569964450.db2.gz	YFFXMSYBNYQBIT-UHFFFAOYSA-N	0	0	478.302	6.240	40	5		JKBBRN
CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224947436	569964488	/nfs/dbraw/zinc/96/44/88/569964488.db2.gz	AYJXPNQDLKAAKN-HNNXBMFYSA-N	0	0	498.432	5.078	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1	ZINC000224956087	569965068	/nfs/dbraw/zinc/96/50/68/569965068.db2.gz	JJSLTYGVCPFMAU-UHFFFAOYSA-N	0	0	478.302	6.240	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F	ZINC000408603017	569969749	/nfs/dbraw/zinc/96/97/49/569969749.db2.gz	AHHQNQSNYFQSBY-UHFFFAOYSA-N	0	0	461.287	5.696	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1	ZINC000408604076	569970201	/nfs/dbraw/zinc/97/02/01/569970201.db2.gz	DGWICGBGIVFWER-UHFFFAOYSA-N	0	0	490.297	5.399	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000408607232	569971343	/nfs/dbraw/zinc/97/13/43/569971343.db2.gz	KCQABIPNTLJDIK-UHFFFAOYSA-N	0	0	490.343	5.848	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408608033	569971637	/nfs/dbraw/zinc/97/16/37/569971637.db2.gz	MBLWDVVAQSWBNN-UHFFFAOYSA-N	0	0	477.395	6.325	40	5		JKBBRN
COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408608217	569971757	/nfs/dbraw/zinc/97/17/57/569971757.db2.gz	KXFDHIOVWXNSTR-UHFFFAOYSA-N	0	0	457.324	5.865	40	5		JKBBRN
O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1	ZINC000408609845	569972246	/nfs/dbraw/zinc/97/22/46/569972246.db2.gz	PBVMZOQQJZVORJ-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1	ZINC000225055408	569972298	/nfs/dbraw/zinc/97/22/98/569972298.db2.gz	KLQOVDLNVAPPGI-IZZNHLLZSA-N	0	0	499.596	5.725	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1	ZINC000408613558	569973406	/nfs/dbraw/zinc/97/34/06/569973406.db2.gz	YBJGSDMQFSHRGN-UHFFFAOYSA-N	0	0	457.324	5.947	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000408617346	569976160	/nfs/dbraw/zinc/97/61/60/569976160.db2.gz	CQOFPOIPIIUTBO-UHFFFAOYSA-N	0	0	493.463	5.284	40	5		JKBBRN
O=C(Nc1ccccc1I)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000408620185	569977667	/nfs/dbraw/zinc/97/76/67/569977667.db2.gz	KXMJXGCYAJZCMR-UHFFFAOYSA-N	0	0	468.634	5.365	40	5		JKBBRN
O=C(Nc1cccc(I)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000408622565	569978846	/nfs/dbraw/zinc/97/88/46/569978846.db2.gz	RFAMNLFJSHQIBA-UHFFFAOYSA-N	0	0	468.634	5.365	40	5		JKBBRN
O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408638384	569987832	/nfs/dbraw/zinc/98/78/32/569987832.db2.gz	CAQINDQZQJYDPB-HNNXBMFYSA-N	0	0	451.866	5.032	40	5		JKBBRN
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225290942	569988611	/nfs/dbraw/zinc/98/86/11/569988611.db2.gz	WAXCCNJWVDDGEC-HHHXNRCGSA-N	0	0	487.600	5.002	40	5		JKBBRN
Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1C	ZINC000408640005	569988651	/nfs/dbraw/zinc/98/86/51/569988651.db2.gz	HUSZCNXWQLZREM-LJQANCHMSA-N	0	0	459.502	5.304	40	5		JKBBRN
Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1	ZINC000408640302	569988852	/nfs/dbraw/zinc/98/88/52/569988852.db2.gz	IRLNBGBCSHWKGM-FQEVSTJZSA-N	0	0	487.556	6.119	40	5		JKBBRN
Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1C	ZINC000408641201	569989241	/nfs/dbraw/zinc/98/92/41/569989241.db2.gz	LBUWGZXPNSQEQE-LJQANCHMSA-N	0	0	459.502	5.304	40	5		JKBBRN
CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1	ZINC000408642328	569989721	/nfs/dbraw/zinc/98/97/21/569989721.db2.gz	OAVVGNBNJBEJFD-GOSISDBHSA-N	0	0	473.529	5.676	40	5		JKBBRN
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225315977	569990037	/nfs/dbraw/zinc/99/00/37/569990037.db2.gz	RRKPCWMNFJNOCS-HHHXNRCGSA-N	0	0	487.600	5.002	40	5		JKBBRN
Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1[N+](=O)[O-]	ZINC000408644892	569990982	/nfs/dbraw/zinc/99/09/82/569990982.db2.gz	IRVUHRGYUPJVEW-UHFFFAOYSA-N	0	0	459.433	5.053	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)CC1=O	ZINC000408646168	569991767	/nfs/dbraw/zinc/99/17/67/569991767.db2.gz	VSGILTSKDDXKSJ-FQEVSTJZSA-N	0	0	497.507	5.541	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O	ZINC000408647149	569992234	/nfs/dbraw/zinc/99/22/34/569992234.db2.gz	WLJXSNMGSPAEPE-GOSISDBHSA-N	0	0	475.501	5.004	40	5		JKBBRN
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000225352964	569992350	/nfs/dbraw/zinc/99/23/50/569992350.db2.gz	KKWJOPIUFCYVDR-CLJLJLNGSA-N	0	0	499.596	5.745	40	5		JKBBRN
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000225352747	569992354	/nfs/dbraw/zinc/99/23/54/569992354.db2.gz	AQUOMLPFICGHDD-FTJBHMTQSA-N	0	0	499.596	5.745	40	5		JKBBRN
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000225352899	569992367	/nfs/dbraw/zinc/99/23/67/569992367.db2.gz	KKWJOPIUFCYVDR-FTJBHMTQSA-N	0	0	499.596	5.745	40	5		JKBBRN
CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225353984	569992483	/nfs/dbraw/zinc/99/24/83/569992483.db2.gz	KNTMNHXMWBSXQS-RUZDIDTESA-N	0	0	497.661	5.127	40	5		JKBBRN
C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1	ZINC000408658927	569999313	/nfs/dbraw/zinc/99/93/13/569999313.db2.gz	VGNCVYFHMOGWCZ-OXJNMPFZSA-N	0	0	492.915	5.083	40	5		JKBBRN
C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1	ZINC000408658931	569999319	/nfs/dbraw/zinc/99/93/19/569999319.db2.gz	VGNCVYFHMOGWCZ-UZLBHIALSA-N	0	0	492.915	5.083	40	5		JKBBRN
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408659336	569999476	/nfs/dbraw/zinc/99/94/76/569999476.db2.gz	KTOPUOIXFGBOBM-LJQANCHMSA-N	0	0	458.514	5.188	40	5		JKBBRN
Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	ZINC000408667544	570005440	/nfs/dbraw/zinc/00/54/40/570005440.db2.gz	BKIZUDDPZZHMPF-UHFFFAOYSA-N	0	0	467.481	6.200	40	5		JKBBRN
Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1[N+](=O)[O-]	ZINC000408669575	570006619	/nfs/dbraw/zinc/00/66/19/570006619.db2.gz	WWMJHBRWMYKLGT-WSCWJOSJSA-N	0	0	496.560	5.316	40	5		JKBBRN
O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1	ZINC000408670475	570007120	/nfs/dbraw/zinc/00/71/20/570007120.db2.gz	QHKSACWNBLZWMD-UHFFFAOYSA-N	0	0	461.861	5.259	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000408672677	570008337	/nfs/dbraw/zinc/00/83/37/570008337.db2.gz	OOZUNJFKYLWVES-UHFFFAOYSA-N	0	0	453.454	5.892	40	5		JKBBRN
CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Cl)ccc1OC	ZINC000408674986	570009829	/nfs/dbraw/zinc/00/98/29/570009829.db2.gz	OESPNYZPFYRXBX-UHFFFAOYSA-N	0	0	467.334	5.164	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225616217	570009924	/nfs/dbraw/zinc/00/99/24/570009924.db2.gz	LNTHZLGCWRNOAK-VGSWGCGISA-N	0	0	492.041	5.204	40	5		JKBBRN
CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@@H]2C1	ZINC000408675476	570010235	/nfs/dbraw/zinc/01/02/35/570010235.db2.gz	AWGNSTPVQPUERU-LOSJGSFVSA-N	0	0	481.508	5.360	40	5		JKBBRN
CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]2C1	ZINC000408677668	570010939	/nfs/dbraw/zinc/01/09/39/570010939.db2.gz	DXWDLROCFFQEKG-LOSJGSFVSA-N	0	0	481.508	5.360	40	5		JKBBRN
CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]2C1	ZINC000408677669	570010943	/nfs/dbraw/zinc/01/09/43/570010943.db2.gz	DXWDLROCFFQEKG-RPBOFIJWSA-N	0	0	481.508	5.360	40	5		JKBBRN
CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]2C1	ZINC000408677667	570010957	/nfs/dbraw/zinc/01/09/57/570010957.db2.gz	DXWDLROCFFQEKG-JWQCQUIFSA-N	0	0	481.508	5.360	40	5		JKBBRN
CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225633123	570011093	/nfs/dbraw/zinc/01/10/93/570011093.db2.gz	KAVVUSRDVVJMID-HNNXBMFYSA-N	0	0	498.432	5.077	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)c(Cl)c2)cc1	ZINC000408681744	570012695	/nfs/dbraw/zinc/01/26/95/570012695.db2.gz	INYWEVVTJAHMHZ-QFIPXVFZSA-N	0	0	478.353	5.998	40	5		JKBBRN
CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCC(C)C	ZINC000225677213	570014075	/nfs/dbraw/zinc/01/40/75/570014075.db2.gz	VEONUTUJMROCIO-UHFFFAOYSA-N	0	0	454.523	5.257	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)N1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000408686773	570014177	/nfs/dbraw/zinc/01/41/77/570014177.db2.gz	SUAMGBQQIMPRGO-VGNMNXCYSA-N	0	0	491.503	5.296	40	5		JKBBRN
Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Cl)c(Cl)c2)c1	ZINC000408693603	570016286	/nfs/dbraw/zinc/01/62/86/570016286.db2.gz	AUOSGBPTWLRYLJ-UHFFFAOYSA-N	0	0	468.300	5.710	40	5		JKBBRN
CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225726205	570018156	/nfs/dbraw/zinc/01/81/56/570018156.db2.gz	LBGZDRSCKVKESQ-QRWLVFNGSA-N	0	0	480.392	5.166	40	5		JKBBRN
CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1O[C@@H](C)CC	ZINC000225757227	570020427	/nfs/dbraw/zinc/02/04/27/570020427.db2.gz	AOLDYDGWKVPOLR-SFHVURJKSA-N	0	0	468.550	5.789	40	5		JKBBRN
CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1O[C@H](C)CC	ZINC000225757262	570020436	/nfs/dbraw/zinc/02/04/36/570020436.db2.gz	AOLDYDGWKVPOLR-GOSISDBHSA-N	0	0	468.550	5.789	40	5		JKBBRN
COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408724746	570027888	/nfs/dbraw/zinc/02/78/88/570027888.db2.gz	AIYZLBWDFQJGQR-MTJSOVHGSA-N	0	0	493.453	5.545	40	5		JKBBRN
O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1	ZINC000408736410	570030492	/nfs/dbraw/zinc/03/04/92/570030492.db2.gz	BTICZRKZHFLEEZ-AREMUKBSSA-N	0	0	479.536	5.093	40	5		JKBBRN
CC(C)c1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1	ZINC000408736761	570030528	/nfs/dbraw/zinc/03/05/28/570030528.db2.gz	HESQADPMGYPLNW-DEOSSOPVSA-N	0	0	461.518	5.194	40	5		JKBBRN
CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12	ZINC000408752775	570034805	/nfs/dbraw/zinc/03/48/05/570034805.db2.gz	GTSFDIVUDZWNDA-IXWSDTCWSA-N	0	0	486.527	5.833	40	5		JKBBRN
CCOc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408755281	570035286	/nfs/dbraw/zinc/03/52/86/570035286.db2.gz	CUEPWFWDFLBOOI-UHFFFAOYSA-N	0	0	487.899	6.344	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc2ccccc2c1	ZINC000408755812	570035453	/nfs/dbraw/zinc/03/54/53/570035453.db2.gz	FTUNKFCGHRHQGI-UHFFFAOYSA-N	0	0	493.906	7.099	40	5		JKBBRN
O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1	ZINC000408757297	570035764	/nfs/dbraw/zinc/03/57/64/570035764.db2.gz	LTEZKYAIHRFGDU-UHFFFAOYSA-N	0	0	459.845	5.651	40	5		JKBBRN
Cc1cccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1C	ZINC000408758190	570036096	/nfs/dbraw/zinc/03/60/96/570036096.db2.gz	WQEKXLFLVJCSNE-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O	ZINC000408757872	570036109	/nfs/dbraw/zinc/03/61/09/570036109.db2.gz	RBJWSTWIQYCNFC-UHFFFAOYSA-N	0	0	459.845	5.651	40	5		JKBBRN
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000226630186	570038135	/nfs/dbraw/zinc/03/81/35/570038135.db2.gz	OPUIDKILAPUACF-STPMEKMUSA-N	0	0	462.505	5.327	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)S2)cc1	ZINC000408778221	570040646	/nfs/dbraw/zinc/04/06/46/570040646.db2.gz	RDYLTVCKQJMHSC-RWTNITNYSA-N	0	0	492.513	5.457	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1	ZINC000408777793	570040702	/nfs/dbraw/zinc/04/07/02/570040702.db2.gz	JDMMDSYVIBPFAZ-GJFKPFFXSA-N	0	0	461.543	5.336	40	5		JKBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)S2)cc1	ZINC000408779423	570041027	/nfs/dbraw/zinc/04/10/27/570041027.db2.gz	DTSDRJJFDZUDSW-VZIOXZNFSA-N	0	0	451.504	5.025	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)cc1	ZINC000408786728	570043280	/nfs/dbraw/zinc/04/32/80/570043280.db2.gz	VPMXSRNKIYQADX-LWUPDDLQSA-N	0	0	461.543	5.336	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3\SC(Nc4cc(Cl)ccc4OC)NC3=O)o2)c([N+](=O)[O-])c1	ZINC000408800316	570045315	/nfs/dbraw/zinc/04/53/15/570045315.db2.gz	LVAAUVZTEFAQQB-UHFFFAOYSA-N	0	0	486.913	5.288	40	5		JKBBRN
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1Nc1ccccc1	ZINC000408801658	570045834	/nfs/dbraw/zinc/04/58/34/570045834.db2.gz	WRFQPQSYHMTHNS-NDDKWJIQSA-N	0	0	488.589	6.909	40	5		JKBBRN
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1	ZINC000408803000	570046318	/nfs/dbraw/zinc/04/63/18/570046318.db2.gz	KFWAZUYQRUUANU-UHFFFAOYSA-N	0	0	491.332	5.933	40	5		JKBBRN
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1	ZINC000408806421	570047735	/nfs/dbraw/zinc/04/77/35/570047735.db2.gz	DVJTUHXNQXKHEA-UHFFFAOYSA-N	0	0	496.952	5.599	40	5		JKBBRN
CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408809780	570048811	/nfs/dbraw/zinc/04/88/11/570048811.db2.gz	JBCKRLNSKZFUIZ-YVLHZVERSA-N	0	0	493.335	5.001	40	5		JKBBRN
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1	ZINC000408818225	570051177	/nfs/dbraw/zinc/05/11/77/570051177.db2.gz	UVURKWCVCCKXPY-UHFFFAOYSA-N	0	0	450.496	5.243	40	5		JKBBRN
COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3C)s2)cc1	ZINC000408821209	570051954	/nfs/dbraw/zinc/05/19/54/570051954.db2.gz	DRWJOWVATDUJDW-UHFFFAOYSA-N	0	0	459.527	6.263	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408822259	570052146	/nfs/dbraw/zinc/05/21/46/570052146.db2.gz	AUPGXQPVGIFZGA-UHFFFAOYSA-N	0	0	460.471	5.854	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1	ZINC000408827039	570052450	/nfs/dbraw/zinc/05/24/50/570052450.db2.gz	KDLCWPSPDVIQQU-UHFFFAOYSA-N	0	0	491.572	7.156	40	5		JKBBRN
COc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408829273	570052571	/nfs/dbraw/zinc/05/25/71/570052571.db2.gz	FHXGOEYUWRXQGR-UHFFFAOYSA-N	0	0	489.597	6.549	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3ccc(Br)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408833994	570052876	/nfs/dbraw/zinc/05/28/76/570052876.db2.gz	SOKFZJVZCJULDC-UHFFFAOYSA-N	0	0	494.370	6.709	40	5		JKBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1Cl	ZINC000408834609	570053001	/nfs/dbraw/zinc/05/30/01/570053001.db2.gz	WPZNUCBUVKLDAE-UHFFFAOYSA-N	0	0	470.337	6.944	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408835747	570053158	/nfs/dbraw/zinc/05/31/58/570053158.db2.gz	XYOXMHKPJSRTRV-UHFFFAOYSA-N	0	0	460.471	5.854	40	5		JKBBRN
O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1c2ccccc2cc2ccccc21	ZINC000408838227	570053323	/nfs/dbraw/zinc/05/33/23/570053323.db2.gz	CWMHSHSYHLFCLE-FYJGNVAPSA-N	0	0	474.368	7.859	40	5		JKBBRN
O=C(Oc1ccccc1/C=C1/N=C(c2sc3cc([N+](=O)[O-])ccc3c2Cl)OC1=O)c1ccco1	ZINC000408849451	570055147	/nfs/dbraw/zinc/05/51/47/570055147.db2.gz	YSFLHQAOHIVRJK-XNTDXEJSSA-N	0	0	494.868	5.620	40	5		JKBBRN
O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cccc(Br)c1	ZINC000408848990	570055173	/nfs/dbraw/zinc/05/51/73/570055173.db2.gz	XPDIRLDCZXWWNG-NTUHNPAUSA-N	0	0	463.696	5.570	40	5		JKBBRN
O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1c1ccccc1	ZINC000408903446	570069991	/nfs/dbraw/zinc/06/99/91/570069991.db2.gz	YAJKNLZKFOJTBD-PCLIKHOPSA-N	0	0	482.517	6.568	40	5		JKBBRN
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1[N+](=O)[O-]	ZINC000408906566	570070795	/nfs/dbraw/zinc/07/07/95/570070795.db2.gz	HLYFXHBSPUPXAK-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
O=C(NCCSCc1cccc(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408906821	570071017	/nfs/dbraw/zinc/07/10/17/570071017.db2.gz	IOTBXDLHQQUVJH-XQNSMLJCSA-N	0	0	452.963	5.838	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408917340	570075714	/nfs/dbraw/zinc/07/57/14/570075714.db2.gz	RJZVVEMYIQTWEM-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408919025	570076381	/nfs/dbraw/zinc/07/63/81/570076381.db2.gz	RSKVFQMTYGOORE-YBFXNURJSA-N	0	0	485.315	5.854	40	5		JKBBRN
CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@H]12	ZINC000408919637	570076652	/nfs/dbraw/zinc/07/66/52/570076652.db2.gz	ZLVBFZBJBQIABB-GMMLXXJASA-N	0	0	452.510	5.172	40	5		JKBBRN
CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]12	ZINC000408919640	570076670	/nfs/dbraw/zinc/07/66/70/570076670.db2.gz	ZLVBFZBJBQIABB-QDBPJBAASA-N	0	0	452.510	5.172	40	5		JKBBRN
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000408923988	570078048	/nfs/dbraw/zinc/07/80/48/570078048.db2.gz	IWCPGCDOMQFYRG-MDWZMJQESA-N	0	0	471.922	5.009	40	5		JKBBRN
O=C1N/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000408931523	570080163	/nfs/dbraw/zinc/08/01/63/570080163.db2.gz	MSEOBUPDJPQQDC-ZDLGFXPLSA-N	0	0	458.257	5.255	40	5		JKBBRN
COc1ccc(N(C)C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408973419	570089224	/nfs/dbraw/zinc/08/92/24/570089224.db2.gz	ARLUUFVCKRRUCD-UHFFFAOYSA-N	0	0	476.565	5.721	40	5		JKBBRN
C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408973868	570089316	/nfs/dbraw/zinc/08/93/16/570089316.db2.gz	CECJHVYLMHYMMU-MRXNPFEDSA-N	0	0	472.577	6.027	40	5		JKBBRN
O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CC[C@H](c2ccccc2)C1	ZINC000408974524	570089374	/nfs/dbraw/zinc/08/93/74/570089374.db2.gz	AYXOHGPDSGORFP-FQEVSTJZSA-N	0	0	455.521	5.509	40	5		JKBBRN
CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)C1	ZINC000408974786	570089465	/nfs/dbraw/zinc/08/94/65/570089465.db2.gz	DWXWQOUVHQAFKV-MRXNPFEDSA-N	0	0	477.659	5.275	40	5		JKBBRN
CN(C)c1ccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1	ZINC000408975111	570089575	/nfs/dbraw/zinc/08/95/75/570089575.db2.gz	HQLVKFKYXHJSST-UHFFFAOYSA-N	0	0	475.581	5.754	40	5		JKBBRN
Cc1ccc(N(C)C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C	ZINC000408975087	570089594	/nfs/dbraw/zinc/08/95/94/570089594.db2.gz	JXZYMFZFBXCJGA-UHFFFAOYSA-N	0	0	458.525	6.165	40	5		JKBBRN
S=C(Nc1ccc2ccccc2c1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408976093	570089795	/nfs/dbraw/zinc/08/97/95/570089795.db2.gz	PAFVVAHATRYGOE-UHFFFAOYSA-N	0	0	482.572	6.842	40	5		JKBBRN
CCCN(Cc1ccccc1)C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408978189	570090335	/nfs/dbraw/zinc/09/03/35/570090335.db2.gz	YSIQRYYRBXQYRW-UHFFFAOYSA-N	0	0	472.552	6.324	40	5		JKBBRN
C[C@H]1Cc2ccccc2N1C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408978418	570090407	/nfs/dbraw/zinc/09/04/07/570090407.db2.gz	ZQGCXPUKXMFCCR-INIZCTEOSA-N	0	0	456.509	5.863	40	5		JKBBRN
O=c1[nH]c(-c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)nc2sc3c(c21)CCCCC3	ZINC000408987595	570093012	/nfs/dbraw/zinc/09/30/12/570093012.db2.gz	FVZUNZXDNRUPNG-UHFFFAOYSA-N	0	0	497.576	6.973	40	5		JKBBRN
O=c1[nH]c(-c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc2sc3c(c21)CCCCCC3	ZINC000408988063	570093114	/nfs/dbraw/zinc/09/31/14/570093114.db2.gz	GSULAPFNMNJYHO-UHFFFAOYSA-N	0	0	455.923	6.545	40	5		JKBBRN
CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408989055	570093363	/nfs/dbraw/zinc/09/33/63/570093363.db2.gz	JOZCWKVSMBDNGV-UHFFFAOYSA-N	0	0	491.569	6.219	40	5		JKBBRN
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@@H]1c1ccccc1	ZINC000408989496	570093538	/nfs/dbraw/zinc/09/35/38/570093538.db2.gz	KVOPCSWXCPRXIR-RUZDIDTESA-N	0	0	483.549	6.027	40	5		JKBBRN
Cc1sc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C	ZINC000408991590	570094221	/nfs/dbraw/zinc/09/42/21/570094221.db2.gz	OKFUWJPGGPYUGI-UHFFFAOYSA-N	0	0	466.569	6.350	40	5		JKBBRN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N2C(c3ccc([N+](=O)[O-])cc3)=CSC2=N1	ZINC000408991554	570094245	/nfs/dbraw/zinc/09/42/45/570094245.db2.gz	QIGXFQUPWYNXBF-DEOSSOPVSA-N	0	0	468.538	5.966	40	5		JKBBRN
Cc1sc2nc(-c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C	ZINC000408991750	570094248	/nfs/dbraw/zinc/09/42/48/570094248.db2.gz	PEOOWTHPOIVXMM-UHFFFAOYSA-N	0	0	460.540	6.288	40	5		JKBBRN
O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1)c1ccccc1	ZINC000408992540	570094531	/nfs/dbraw/zinc/09/45/31/570094531.db2.gz	SIFVRFBDZYZDFO-PKXQUSJVSA-N	0	0	462.505	6.285	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4c5ccccc5C[C@H]43)cc2)cc1	ZINC000408993249	570094680	/nfs/dbraw/zinc/09/46/80/570094680.db2.gz	CZBMHTFUGVIZSK-CMYDWJSCSA-N	0	0	493.519	6.553	40	5		JKBBRN
Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4c5ccccc5C[C@H]43)cc2)cc1	ZINC000408993055	570094715	/nfs/dbraw/zinc/09/47/15/570094715.db2.gz	BRXBQGUWHJCDAW-GGCFSWKVSA-N	0	0	462.549	6.953	40	5		JKBBRN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N=C(SCc2ccc([N+](=O)[O-])cc2)N1	ZINC000408993639	570094874	/nfs/dbraw/zinc/09/48/74/570094874.db2.gz	WXGHPYHLHQJCQM-QHCPKHFHSA-N	0	0	458.543	5.441	40	5		JKBBRN
Cc1nnc(Sc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2[N+](=O)[O-])s1	ZINC000408993688	570094898	/nfs/dbraw/zinc/09/48/98/570094898.db2.gz	WSDCOVYYDFMWSE-UHFFFAOYSA-N	0	0	457.562	5.162	40	5		JKBBRN
O=c1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc2sc3c(c21)CCCCC3	ZINC000408994365	570095123	/nfs/dbraw/zinc/09/51/23/570095123.db2.gz	YYXBFXUKHGWOAD-UHFFFAOYSA-N	0	0	486.347	6.264	40	5		JKBBRN
COc1ccccc1N1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c32)C1=O	ZINC000408994901	570095259	/nfs/dbraw/zinc/09/52/59/570095259.db2.gz	HQZJLDZBCDEFRD-UHFFFAOYSA-N	0	0	473.872	5.954	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	ZINC000408995523	570095334	/nfs/dbraw/zinc/09/53/34/570095334.db2.gz	JURVSWICRFENIT-ZXRKZBAXSA-N	0	0	482.967	7.298	40	5		JKBBRN
CCCCN1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408995476	570095345	/nfs/dbraw/zinc/09/53/45/570095345.db2.gz	AKQLECOKIKERPQ-UHFFFAOYSA-N	0	0	496.361	6.267	40	5		JKBBRN
Cc1c(C)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(C)C4=O)ccc1Br	ZINC000408996293	570095467	/nfs/dbraw/zinc/09/54/67/570095467.db2.gz	CWBBIFZQWFQTLU-UHFFFAOYSA-N	0	0	454.280	5.097	40	5		JKBBRN
CCCN1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408998944	570095952	/nfs/dbraw/zinc/09/59/52/570095952.db2.gz	VJYOYZXMARNCIE-UHFFFAOYSA-N	0	0	482.334	5.877	40	5		JKBBRN
Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(C)C4=O)cc1C	ZINC000409000573	570096326	/nfs/dbraw/zinc/09/63/26/570096326.db2.gz	TZUYPYWYWWHERZ-UHFFFAOYSA-N	0	0	454.280	5.097	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409009249	570098952	/nfs/dbraw/zinc/09/89/52/570098952.db2.gz	CKNBSBKABKIFMW-PVGUKEHMSA-N	0	0	490.965	6.061	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409009548	570099112	/nfs/dbraw/zinc/09/91/12/570099112.db2.gz	GCSNXBNOCVNEAA-PVGUKEHMSA-N	0	0	490.965	6.061	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	ZINC000409011634	570099649	/nfs/dbraw/zinc/09/96/49/570099649.db2.gz	GQSNSGRJRRFZQB-UHFFFAOYSA-N	0	0	497.360	5.335	40	5		JKBBRN
CC[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O	ZINC000409014454	570100665	/nfs/dbraw/zinc/10/06/65/570100665.db2.gz	PWHWZZGMKXVMQR-BRABVMKYSA-N	0	0	462.527	6.162	40	5		JKBBRN
CC[C@H](C)N1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O	ZINC000409015657	570101102	/nfs/dbraw/zinc/10/11/02/570101102.db2.gz	SVLICWPPKVAXKS-NJDFMEINSA-N	0	0	473.463	5.139	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000409019344	570102431	/nfs/dbraw/zinc/10/24/31/570102431.db2.gz	RDCFHHRZWDQOSM-WQRHYEAKSA-N	0	0	488.999	6.697	40	5		JKBBRN
Cc1cccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)c1C	ZINC000409022152	570103280	/nfs/dbraw/zinc/10/32/80/570103280.db2.gz	GPOCJISMYYZGRH-UHFFFAOYSA-N	0	0	473.532	7.346	40	5		JKBBRN
CC(C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409022741	570103505	/nfs/dbraw/zinc/10/35/05/570103505.db2.gz	RMWGZXFOGGTTKS-VCHYOVAHSA-N	0	0	477.336	5.381	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409023231	570103617	/nfs/dbraw/zinc/10/36/17/570103617.db2.gz	ZDCBYPNFTXIYIP-VCHYOVAHSA-N	0	0	462.911	5.281	40	5		JKBBRN
Cc1cccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)c1	ZINC000409023592	570103703	/nfs/dbraw/zinc/10/37/03/570103703.db2.gz	ZJEPCFYIHNTDIT-UHFFFAOYSA-N	0	0	459.505	7.038	40	5		JKBBRN
CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)[C@@H]5CCCC[C@H]5N4)cc3[N+](=O)[O-])sc2c1	ZINC000253566837	570103814	/nfs/dbraw/zinc/10/38/14/570103814.db2.gz	JLCWXXGKLDNDHR-ZOCZFRKYSA-N	0	0	484.603	5.031	40	5		JKBBRN
O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000409026534	570104559	/nfs/dbraw/zinc/10/45/59/570104559.db2.gz	ROKHAKHCOJBVLJ-STBIYBPSSA-N	0	0	478.592	7.242	40	5		JKBBRN
CCCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	ZINC000409051991	570110209	/nfs/dbraw/zinc/11/02/09/570110209.db2.gz	FQTYRGUYSBQFPE-UNOMPAQXSA-N	0	0	476.938	5.672	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000409052694	570110477	/nfs/dbraw/zinc/11/04/77/570110477.db2.gz	LOJYFGUSIZYAHZ-UHFFFAOYSA-N	0	0	464.434	5.685	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CCOc1ccc(F)cc1	ZINC000409053616	570110771	/nfs/dbraw/zinc/11/07/71/570110771.db2.gz	NQARTBCPXVLBNY-HAHDFKILSA-N	0	0	494.500	5.428	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1[N+](=O)[O-]	ZINC000409053803	570110882	/nfs/dbraw/zinc/11/08/82/570110882.db2.gz	PXGVMLMYRSZOFQ-UHFFFAOYSA-N	0	0	464.434	5.685	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000409054084	570110992	/nfs/dbraw/zinc/11/09/92/570110992.db2.gz	RBDBDUULSNFSOE-UHFFFAOYSA-N	0	0	475.545	7.074	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000409053999	570111035	/nfs/dbraw/zinc/11/10/35/570111035.db2.gz	LIKNKVYNHRBFMG-UHFFFAOYSA-N	0	0	453.882	6.430	40	5		JKBBRN
O=C(Nc1cccc(O)c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409082720	570122075	/nfs/dbraw/zinc/12/20/75/570122075.db2.gz	MWNBJKWVWPFJIS-UHFFFAOYSA-N	0	0	461.477	6.435	40	5		JKBBRN
O=C1C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)NC(=S)N1C1CCCCC1	ZINC000409084412	570122560	/nfs/dbraw/zinc/12/25/60/570122560.db2.gz	VIENUWQMGLGCCE-MOSHPQCFSA-N	0	0	471.966	5.218	40	5		JKBBRN
O=C(Nc1cccc(Cl)c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409092346	570125222	/nfs/dbraw/zinc/12/52/22/570125222.db2.gz	UURPLWYIYQJGQB-UHFFFAOYSA-N	0	0	479.923	7.383	40	5		JKBBRN
CCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O	ZINC000409096964	570126942	/nfs/dbraw/zinc/12/69/42/570126942.db2.gz	LRCDYVQNBSJVRN-GIJQJNRQSA-N	0	0	493.335	5.001	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000409097243	570127113	/nfs/dbraw/zinc/12/71/13/570127113.db2.gz	NGPVYHDJJINGFS-BKUYFWCQSA-N	0	0	482.970	6.636	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1	ZINC000409097390	570127235	/nfs/dbraw/zinc/12/72/35/570127235.db2.gz	GOHRFWHUYFTWHD-UHFFFAOYSA-N	0	0	476.867	6.666	40	5		JKBBRN
Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1C	ZINC000409098755	570127605	/nfs/dbraw/zinc/12/76/05/570127605.db2.gz	JSWWYFPQVWYJOA-UHFFFAOYSA-N	0	0	450.951	6.405	40	5		JKBBRN
Cc1cccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)c1	ZINC000409099073	570127751	/nfs/dbraw/zinc/12/77/51/570127751.db2.gz	PXFOCEXOQNDATO-UHFFFAOYSA-N	0	0	490.894	6.974	40	5		JKBBRN
Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1	ZINC000409099205	570127791	/nfs/dbraw/zinc/12/77/91/570127791.db2.gz	KBVPAEHQUTXRDM-UHFFFAOYSA-N	0	0	457.437	5.716	40	5		JKBBRN
O=C1NC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1cccc(Cl)c1	ZINC000409103600	570129382	/nfs/dbraw/zinc/12/93/82/570129382.db2.gz	CPCVZTWRMQRUPH-YVLHZVERSA-N	0	0	488.681	5.368	40	5		JKBBRN
CCOc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	ZINC000409109254	570131479	/nfs/dbraw/zinc/13/14/79/570131479.db2.gz	AMGCPOLKSNYPOJ-UHFFFAOYSA-N	0	0	487.350	5.956	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)cc1	ZINC000409109352	570131489	/nfs/dbraw/zinc/13/14/89/570131489.db2.gz	CBCLOQLESDIMTH-UHFFFAOYSA-N	0	0	460.917	7.232	40	5		JKBBRN
COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409112003	570132521	/nfs/dbraw/zinc/13/25/21/570132521.db2.gz	BGHUVLBZNMKQFT-UHFFFAOYSA-N	0	0	457.324	5.865	40	5		JKBBRN
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccccc1	ZINC000409113295	570132991	/nfs/dbraw/zinc/13/29/91/570132991.db2.gz	HNBYJYNFGDZAKI-UHFFFAOYSA-N	0	0	487.537	5.096	40	5		JKBBRN
Cc1c(Cl)cccc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409113685	570133175	/nfs/dbraw/zinc/13/31/75/570133175.db2.gz	FTDGGSCBXWZYNG-UHFFFAOYSA-N	0	0	461.743	6.510	40	5		JKBBRN
COC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCCC2	ZINC000409113829	570133258	/nfs/dbraw/zinc/13/32/58/570133258.db2.gz	FXSVXRWFRNUREG-HMMYKYKNSA-N	0	0	462.527	5.501	40	5		JKBBRN
C[C@@H](NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1	ZINC000409115269	570133762	/nfs/dbraw/zinc/13/37/62/570133762.db2.gz	IFEQAJFMZDIWCS-HKSLHJNNSA-N	0	0	491.547	6.265	40	5		JKBBRN
C[C@H](NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1	ZINC000409115267	570133764	/nfs/dbraw/zinc/13/37/64/570133764.db2.gz	IFEQAJFMZDIWCS-FCIOZCPLSA-N	0	0	491.547	6.265	40	5		JKBBRN
CSc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000409115202	570133765	/nfs/dbraw/zinc/13/37/65/570133765.db2.gz	JKRJFNAKAIRVCL-MUUNZHRXSA-N	0	0	495.604	6.678	40	5		JKBBRN
O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	ZINC000409115494	570133901	/nfs/dbraw/zinc/13/39/01/570133901.db2.gz	MNOSZXXJXGQDKI-WQRHYEAKSA-N	0	0	451.276	5.429	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1CNc1ccc(Oc2ccccc2)cc1	ZINC000409115773	570134021	/nfs/dbraw/zinc/13/40/21/570134021.db2.gz	HDRXUDBRCAOOHC-UHFFFAOYSA-N	0	0	480.442	7.810	40	5		JKBBRN
COc1cccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1	ZINC000409118340	570134830	/nfs/dbraw/zinc/13/48/30/570134830.db2.gz	PDYXFYOVZZWALR-MUUNZHRXSA-N	0	0	479.536	5.965	40	5		JKBBRN
CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c2ccccc21	ZINC000409119923	570135445	/nfs/dbraw/zinc/13/54/45/570135445.db2.gz	UMQMCKYXOZLDRR-XKZIYDEJSA-N	0	0	462.933	6.370	40	5		JKBBRN
O=[N+]([O-])c1ccc(Oc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)c([N+](=O)[O-])c1	ZINC000409120400	570135560	/nfs/dbraw/zinc/13/55/60/570135560.db2.gz	VTNCDGYQCIMILG-UHFFFAOYSA-N	0	0	457.442	6.700	40	5		JKBBRN
CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(CC)cc3)c(=O)c2c1C	ZINC000409120855	570135764	/nfs/dbraw/zinc/13/57/64/570135764.db2.gz	WJGBRTNIBWOXTN-UHFFFAOYSA-N	0	0	479.627	6.471	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc3ccccc32)N1Cc1ccccc1	ZINC000409123354	570136713	/nfs/dbraw/zinc/13/67/13/570136713.db2.gz	FUTORICUHDBMKJ-HKBQPEDESA-N	0	0	499.570	7.109	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409124178	570137072	/nfs/dbraw/zinc/13/70/72/570137072.db2.gz	JQGKPVLSQDYDGG-BUVRLJJBSA-N	0	0	496.585	6.189	40	5		JKBBRN
CCOc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000409124615	570137325	/nfs/dbraw/zinc/13/73/25/570137325.db2.gz	JZCCRQOGBHFZGT-GDLZYMKVSA-N	0	0	493.563	6.355	40	5		JKBBRN
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1-c1ccccc1	ZINC000409124814	570137479	/nfs/dbraw/zinc/13/74/79/570137479.db2.gz	LWQQUMUFOZQMER-UHFFFAOYSA-N	0	0	487.537	5.096	40	5		JKBBRN
CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1cccc(C)c1	ZINC000409128015	570138914	/nfs/dbraw/zinc/13/89/14/570138914.db2.gz	IGDSDYLTIOSXHA-UHFFFAOYSA-N	0	0	480.575	5.036	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1CCCc1ccccc1	ZINC000409128609	570139165	/nfs/dbraw/zinc/13/91/65/570139165.db2.gz	SLAOQRDAOHSTRE-KGENOOAVSA-N	0	0	468.918	6.177	40	5		JKBBRN
COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O	ZINC000409129455	570139447	/nfs/dbraw/zinc/13/94/47/570139447.db2.gz	GDZQPSCJMZBFRD-LICLKQGHSA-N	0	0	483.329	5.163	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1CC1CCCCC1	ZINC000409130575	570139875	/nfs/dbraw/zinc/13/98/75/570139875.db2.gz	WLBKEZCZJWZZQL-ODLFYWEKSA-N	0	0	491.363	6.234	40	5		JKBBRN
Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000409137430	570142890	/nfs/dbraw/zinc/14/28/90/570142890.db2.gz	XFQKNPQYUUAWLM-UHFFFAOYSA-N	0	0	451.737	7.055	40	5		JKBBRN
Cc1c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000409141040	570144570	/nfs/dbraw/zinc/14/45/70/570144570.db2.gz	TVYOATZNCNDJCY-MFKUBSTISA-N	0	0	489.597	6.523	40	5		JKBBRN
O=S1(=O)c2ccccc2N[C@@H](c2c3ccccc3cc3ccccc32)N1Cc1ccccc1	ZINC000409145089	570146482	/nfs/dbraw/zinc/14/64/82/570146482.db2.gz	PFKCFGUNOHRMIZ-MUUNZHRXSA-N	0	0	450.563	6.308	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1CC1CCCCC1	ZINC000409148264	570147974	/nfs/dbraw/zinc/14/79/74/570147974.db2.gz	PFWSQTSPADEAHX-HYARGMPZSA-N	0	0	452.532	5.790	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1	ZINC000409148309	570148013	/nfs/dbraw/zinc/14/80/13/570148013.db2.gz	YCRQTHCHIXDLEF-HYARGMPZSA-N	0	0	452.532	5.790	40	5		JKBBRN
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1	ZINC000409150135	570148890	/nfs/dbraw/zinc/14/88/90/570148890.db2.gz	AKDYRPJBANRTJJ-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000409150258	570148905	/nfs/dbraw/zinc/14/89/05/570148905.db2.gz	AQCSHTJINFHUAN-UHFFFAOYSA-N	0	0	483.594	5.256	40	5		JKBBRN
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1	ZINC000409150091	570148920	/nfs/dbraw/zinc/14/89/20/570148920.db2.gz	ABLSOXYJYMHHJF-UNOMPAQXSA-N	0	0	484.331	5.385	40	5		JKBBRN
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)Oc1ccccc1Cl	ZINC000409155760	570150620	/nfs/dbraw/zinc/15/06/20/570150620.db2.gz	MQDPYJDJWAEVGA-CQSZACIVSA-N	0	0	475.958	5.039	40	5		JKBBRN
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)c1	ZINC000409159026	570151409	/nfs/dbraw/zinc/15/14/09/570151409.db2.gz	YTYKDTFYKFFSHQ-BUVRLJJBSA-N	0	0	484.602	6.390	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1	ZINC000409163961	570152774	/nfs/dbraw/zinc/15/27/74/570152774.db2.gz	AITOTAAKIAHIQT-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1[N+](=O)[O-]	ZINC000409169237	570154326	/nfs/dbraw/zinc/15/43/26/570154326.db2.gz	VZYMRMNIMVZGNA-MUUNZHRXSA-N	0	0	479.536	6.278	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1cccc(Br)c1	ZINC000409170094	570154644	/nfs/dbraw/zinc/15/46/44/570154644.db2.gz	TYHNMCWONBXCHT-NVNXTCNLSA-N	0	0	453.701	5.247	40	5		JKBBRN
CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1ccc(C)cc1	ZINC000409170337	570154721	/nfs/dbraw/zinc/15/47/21/570154721.db2.gz	UWRAEYRYVDCXFL-UHFFFAOYSA-N	0	0	494.602	5.344	40	5		JKBBRN
Cc1cccc(C)c1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000409173930	570155972	/nfs/dbraw/zinc/15/59/72/570155972.db2.gz	PPQHAZANEKNUPK-AREMUKBSSA-N	0	0	460.486	5.098	40	5		JKBBRN
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1	ZINC000409174274	570156184	/nfs/dbraw/zinc/15/61/84/570156184.db2.gz	QNIGDSBWWDWHCE-FYJGNVAPSA-N	0	0	477.498	5.092	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409174647	570156299	/nfs/dbraw/zinc/15/62/99/570156299.db2.gz	WKELNASJJBGIIO-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1	ZINC000409174815	570156431	/nfs/dbraw/zinc/15/64/31/570156431.db2.gz	PEFRPWMHYLUPOY-WSDLNYQXSA-N	0	0	491.525	5.455	40	5		JKBBRN
Cc1ccc(OCc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000409175888	570156849	/nfs/dbraw/zinc/15/68/49/570156849.db2.gz	DDMWKQACKBJIRR-MUUNZHRXSA-N	0	0	481.504	6.263	40	5		JKBBRN
Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Br	ZINC000409176346	570156894	/nfs/dbraw/zinc/15/68/94/570156894.db2.gz	LBSYHHXZUPOKOV-OAQYLSRUSA-N	0	0	454.276	5.447	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(CNc2ccccc2)cc1	ZINC000409176142	570156957	/nfs/dbraw/zinc/15/69/57/570156957.db2.gz	ILEBPBMANZWBCG-UHFFFAOYSA-N	0	0	454.482	6.356	40	5		JKBBRN
O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21	ZINC000409176672	570157136	/nfs/dbraw/zinc/15/71/36/570157136.db2.gz	UQAWSJRHLUNDOG-MUUNZHRXSA-N	0	0	482.492	5.634	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1N1C(=O)c2ccccc2C1=O	ZINC000409176614	570157170	/nfs/dbraw/zinc/15/71/70/570157170.db2.gz	SPAXSYAPGGHUPF-UHFFFAOYSA-N	0	0	494.459	5.545	40	5		JKBBRN
Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000409177055	570157235	/nfs/dbraw/zinc/15/72/35/570157235.db2.gz	BUJVZYHGSUUTHP-AREMUKBSSA-N	0	0	460.486	5.098	40	5		JKBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Br)cc2)nc2ccccc21	ZINC000409176914	570157305	/nfs/dbraw/zinc/15/73/05/570157305.db2.gz	ATOAKRHSXDWLAN-UHFFFAOYSA-N	0	0	463.287	5.930	40	5		JKBBRN
Cc1cccc(OCc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)c1	ZINC000409177272	570157414	/nfs/dbraw/zinc/15/74/14/570157414.db2.gz	GKSBEZYTRZLBPN-UHFFFAOYSA-N	0	0	469.493	6.632	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1	ZINC000409177611	570157596	/nfs/dbraw/zinc/15/75/96/570157596.db2.gz	COIORBURDRMQNA-DQEYMECFSA-N	0	0	498.491	5.200	40	5		JKBBRN
Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409178543	570158022	/nfs/dbraw/zinc/15/80/22/570158022.db2.gz	MKMSRUFMIZBNMJ-OAQYLSRUSA-N	0	0	454.822	5.246	40	5		JKBBRN
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000409179022	570158118	/nfs/dbraw/zinc/15/81/18/570158118.db2.gz	OWDUHPGYPHHGMW-WUXMJOGZSA-N	0	0	471.922	5.009	40	5		JKBBRN
COc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1	ZINC000409178909	570158171	/nfs/dbraw/zinc/15/81/71/570158171.db2.gz	KCBCJIVLHAMHMT-UHFFFAOYSA-N	0	0	498.491	6.005	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1	ZINC000409179121	570158217	/nfs/dbraw/zinc/15/82/17/570158217.db2.gz	NHCZHYWKBUWITG-HHHXNRCGSA-N	0	0	467.477	5.955	40	5		JKBBRN
COc1ccccc1OCc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409179141	570158229	/nfs/dbraw/zinc/15/82/29/570158229.db2.gz	PZZWQYNQYPHEBV-MUUNZHRXSA-N	0	0	497.503	5.963	40	5		JKBBRN
COc1ccccc1OCc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409179145	570158269	/nfs/dbraw/zinc/15/82/69/570158269.db2.gz	PZZWQYNQYPHEBV-NDEPHWFRSA-N	0	0	497.503	5.963	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1	ZINC000409179803	570158555	/nfs/dbraw/zinc/15/85/55/570158555.db2.gz	TXCSAQDQAAGVON-DQEYMECFSA-N	0	0	498.491	5.200	40	5		JKBBRN
O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000409179904	570158602	/nfs/dbraw/zinc/15/86/02/570158602.db2.gz	PNKBLDKRZKXASU-UHFFFAOYSA-N	0	0	459.483	5.328	40	5		JKBBRN
O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000409179987	570158681	/nfs/dbraw/zinc/15/86/81/570158681.db2.gz	SLDNBTMFGOXCOM-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccccc1	ZINC000409180027	570158685	/nfs/dbraw/zinc/15/86/85/570158685.db2.gz	URFWGWJHIUITEU-MHZLTWQESA-N	0	0	465.461	5.607	40	5		JKBBRN
O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21	ZINC000409180007	570158718	/nfs/dbraw/zinc/15/87/18/570158718.db2.gz	TZCSILWVUPWVSS-UHFFFAOYSA-N	0	0	466.537	7.215	40	5		JKBBRN
Cc1ccc(OCc2ccc(C(=O)Oc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1	ZINC000409180290	570158773	/nfs/dbraw/zinc/15/87/73/570158773.db2.gz	XUXWTCXJKOQAOP-UHFFFAOYSA-N	0	0	455.466	6.494	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000409180377	570158913	/nfs/dbraw/zinc/15/89/13/570158913.db2.gz	WRYMSZGEKKNSJJ-UHFFFAOYSA-N	0	0	478.460	5.342	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1I	ZINC000409180855	570159124	/nfs/dbraw/zinc/15/91/24/570159124.db2.gz	SSFOGOJGSCBWKH-UHFFFAOYSA-N	0	0	475.238	5.349	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000409181019	570159237	/nfs/dbraw/zinc/15/92/37/570159237.db2.gz	YIHHWWHPLAFDEO-MTJSOVHGSA-N	0	0	477.498	5.147	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1C(=O)c1ccccc1	ZINC000409181653	570159554	/nfs/dbraw/zinc/15/95/54/570159554.db2.gz	FOXFLWOCDRWWCV-UHFFFAOYSA-N	0	0	453.450	5.975	40	5		JKBBRN
O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000409181916	570159656	/nfs/dbraw/zinc/15/96/56/570159656.db2.gz	GRAKWHFATOWTJB-DEOSSOPVSA-N	0	0	466.877	5.134	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000409182132	570159682	/nfs/dbraw/zinc/15/96/82/570159682.db2.gz	JJWIPFTZWGCUQV-FQEVSTJZSA-N	0	0	485.246	5.047	40	5		JKBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000409182361	570159807	/nfs/dbraw/zinc/15/98/07/570159807.db2.gz	KIPGZCAUMWBSDL-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000409182518	570159826	/nfs/dbraw/zinc/15/98/26/570159826.db2.gz	MBAVORPPYDHUPA-UHFFFAOYSA-N	0	0	466.298	5.091	40	5		JKBBRN
COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000409182610	570159947	/nfs/dbraw/zinc/15/99/47/570159947.db2.gz	NDPNIOLLWMXZJK-MHZLTWQESA-N	0	0	490.512	5.106	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1c2ccccc2nc2c1CCCC2	ZINC000409183022	570160112	/nfs/dbraw/zinc/16/01/12/570160112.db2.gz	RLCMZTDHYBNILZ-UHFFFAOYSA-N	0	0	454.482	6.171	40	5		JKBBRN
Cc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1Cl	ZINC000409183959	570160303	/nfs/dbraw/zinc/16/03/03/570160303.db2.gz	VGSRDCUYFAPRTB-UHFFFAOYSA-N	0	0	468.893	5.811	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000409183862	570160314	/nfs/dbraw/zinc/16/03/14/570160314.db2.gz	VUDGUDPYAMDXMF-AREMUKBSSA-N	0	0	487.895	6.822	40	5		JKBBRN
Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2)cc1	ZINC000409184379	570160434	/nfs/dbraw/zinc/16/04/34/570160434.db2.gz	XULPXGLGGHSLRQ-UHFFFAOYSA-N	0	0	487.533	5.931	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O	ZINC000409188609	570161176	/nfs/dbraw/zinc/16/11/76/570161176.db2.gz	FMGSCQJLOYASFS-JTHDKOFASA-N	0	0	474.856	5.212	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000409191164	570161946	/nfs/dbraw/zinc/16/19/46/570161946.db2.gz	UBVAFYODKKBLBE-VXAIQDGOSA-N	0	0	498.491	5.265	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409191810	570162249	/nfs/dbraw/zinc/16/22/49/570162249.db2.gz	NVADCRFZTJJLFL-VCHYOVAHSA-N	0	0	461.282	6.403	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O	ZINC000409192984	570162662	/nfs/dbraw/zinc/16/26/62/570162662.db2.gz	HSWDAVXROBIQDJ-WBDHZMATSA-N	0	0	474.856	5.212	40	5		JKBBRN
Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)S3)cc1	ZINC000409195200	570163292	/nfs/dbraw/zinc/16/32/92/570163292.db2.gz	NMTBRMGVCKKWKD-HSZRJFAPSA-N	0	0	457.515	5.173	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000409196869	570163800	/nfs/dbraw/zinc/16/38/00/570163800.db2.gz	ZLUJSUODMBJWPL-WSDLNYQXSA-N	0	0	496.928	6.077	40	5		JKBBRN
Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409197385	570163902	/nfs/dbraw/zinc/16/39/02/570163902.db2.gz	DHQBENKUYGESKQ-FLWNBWAVSA-N	0	0	491.572	6.737	40	5		JKBBRN
CCOc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409200127	570164993	/nfs/dbraw/zinc/16/49/93/570164993.db2.gz	QLJRNMZEVDUKPX-UHFFFAOYSA-N	0	0	475.314	6.086	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1CCc1ccccc1	ZINC000409202488	570166010	/nfs/dbraw/zinc/16/60/10/570166010.db2.gz	RCTKFHXPVRRFTE-DEDYPNTBSA-N	0	0	499.342	5.896	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(Cl)c1	ZINC000409203513	570166433	/nfs/dbraw/zinc/16/64/33/570166433.db2.gz	XNHFBPQOZFFTFT-ZDLGFXPLSA-N	0	0	461.282	6.403	40	5		JKBBRN
Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000409204206	570166734	/nfs/dbraw/zinc/16/67/34/570166734.db2.gz	DNEHFBDMCLERMM-RWEWTDSWSA-N	0	0	484.364	6.377	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1	ZINC000409205474	570167000	/nfs/dbraw/zinc/16/70/00/570167000.db2.gz	NOEWDHRFAHELBQ-UHFFFAOYSA-N	0	0	472.155	7.400	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)c(Cl)c2)cc1	ZINC000409206988	570167477	/nfs/dbraw/zinc/16/74/77/570167477.db2.gz	YBGQHDPNENTARV-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1	ZINC000409206999	570167484	/nfs/dbraw/zinc/16/74/84/570167484.db2.gz	YFZNXCRJLWAGBV-LCUIJRPUSA-N	0	0	463.946	6.032	40	5		JKBBRN
CCOc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409207580	570167787	/nfs/dbraw/zinc/16/77/87/570167787.db2.gz	XYENZMLPNPWHDZ-UHFFFAOYSA-N	0	0	491.769	6.601	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c(C)c1	ZINC000409208551	570168225	/nfs/dbraw/zinc/16/82/25/570168225.db2.gz	GSHQJDYCNVMKQZ-WSDLNYQXSA-N	0	0	491.525	5.455	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409208766	570168364	/nfs/dbraw/zinc/16/83/64/570168364.db2.gz	DEUXGPJSDMMVAR-KGENOOAVSA-N	0	0	477.498	5.070	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000409209619	570168884	/nfs/dbraw/zinc/16/88/84/570168884.db2.gz	GVRKDCRUUVUUQA-SSDVNMTOSA-N	0	0	496.928	6.077	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000409211048	570169847	/nfs/dbraw/zinc/16/98/47/570169847.db2.gz	MBTAPUYBRFWOLR-BUVRLJJBSA-N	0	0	490.537	5.461	40	5		JKBBRN
O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1CCc1ccccc1	ZINC000409211348	570169893	/nfs/dbraw/zinc/16/98/93/570169893.db2.gz	LOTLTVOUIOHYEF-HYARGMPZSA-N	0	0	491.481	5.574	40	5		JKBBRN
CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1	ZINC000409211416	570169920	/nfs/dbraw/zinc/16/99/20/570169920.db2.gz	JBEAQXGEVDFBPV-IUXPMGMMSA-N	0	0	480.329	5.139	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1CCc1ccccc1	ZINC000409214352	570171664	/nfs/dbraw/zinc/17/16/64/570171664.db2.gz	USQGXYKMESCAPU-XQNSMLJCSA-N	0	0	460.511	5.453	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1cccc(Cl)c1	ZINC000409216346	570172686	/nfs/dbraw/zinc/17/26/86/570172686.db2.gz	KBARHGLMUZGSGR-CIAFOILYSA-N	0	0	466.902	6.068	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409216501	570172827	/nfs/dbraw/zinc/17/28/27/570172827.db2.gz	IOJAIWFKNPVHBL-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)c1ccccc1	ZINC000409223606	570175268	/nfs/dbraw/zinc/17/52/68/570175268.db2.gz	HCAQFOMMQVCZQB-OEAKJJBVSA-N	0	0	474.494	5.093	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc(F)c(Cl)c1	ZINC000409223802	570175418	/nfs/dbraw/zinc/17/54/18/570175418.db2.gz	IBUIRXHRJRDLFW-YDZHTSKRSA-N	0	0	490.943	6.461	40	5		JKBBRN
O=C1N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1	ZINC000409235677	570179634	/nfs/dbraw/zinc/17/96/34/570179634.db2.gz	PQVRESAFVBZKTJ-XDHOZWIPSA-N	0	0	483.402	5.499	40	5		JKBBRN
Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cccc1[N+](=O)[O-]	ZINC000328989144	570180843	/nfs/dbraw/zinc/18/08/43/570180843.db2.gz	IJDKKLPJULAGEK-UHFFFAOYSA-N	0	0	461.444	6.213	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000409238828	570181009	/nfs/dbraw/zinc/18/10/09/570181009.db2.gz	MBIDMHAXPYQCLA-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=[N+]([O-])c1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c1	ZINC000329002258	570181100	/nfs/dbraw/zinc/18/11/00/570181100.db2.gz	KHDARGJHFBCIFS-UHFFFAOYSA-N	0	0	487.482	5.151	40	5		JKBBRN
Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)c1	ZINC000409241610	570182106	/nfs/dbraw/zinc/18/21/06/570182106.db2.gz	KIWILRQDFASRLK-UDWIEESQSA-N	0	0	497.429	5.807	40	5		JKBBRN
CC(C)(C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329023955	570182167	/nfs/dbraw/zinc/18/21/67/570182167.db2.gz	OXEZZKQJHZKIGY-UHFFFAOYSA-N	0	0	465.407	6.044	40	5		JKBBRN
CC[C@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329062919	570183394	/nfs/dbraw/zinc/18/33/94/570183394.db2.gz	XAPPSJZLFSKTPH-ZDUSSCGKSA-N	0	0	461.444	5.057	40	5		JKBBRN
O=C1N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccccc1	ZINC000409246305	570184256	/nfs/dbraw/zinc/18/42/56/570184256.db2.gz	APZMLSLPJKXVLR-CIAFOILYSA-N	0	0	498.322	5.574	40	5		JKBBRN
CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409249309	570185333	/nfs/dbraw/zinc/18/53/33/570185333.db2.gz	HGUGTAMGQAMXMH-UHFFFAOYSA-N	0	0	491.525	5.469	40	5		JKBBRN
CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409258228	570187283	/nfs/dbraw/zinc/18/72/83/570187283.db2.gz	XCVNRQKKSGGVLP-UHFFFAOYSA-N	0	0	477.542	5.829	40	5		JKBBRN
Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CCSc1ccc([N+](=O)[O-])cc1Cl	ZINC000408529693	570187414	/nfs/dbraw/zinc/18/74/14/570187414.db2.gz	NTFHKKZLWBFLOT-UHFFFAOYSA-N	0	0	478.961	6.288	40	5		JKBBRN
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000409261557	570187606	/nfs/dbraw/zinc/18/76/06/570187606.db2.gz	CZVFHUIJAUSUGB-UHFFFAOYSA-N	0	0	463.515	5.439	40	5		JKBBRN
O=c1[nH]c(-c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)nc2sc3c(c21)CCCC3	ZINC000409264139	570188029	/nfs/dbraw/zinc/18/80/29/570188029.db2.gz	PDBLTOXGXRMZBA-UHFFFAOYSA-N	0	0	456.527	5.854	40	5		JKBBRN
O=c1[nH]c(-c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)nc2ccccc12	ZINC000409270526	570189140	/nfs/dbraw/zinc/18/91/40/570189140.db2.gz	QKDIMTGATZNDRV-UHFFFAOYSA-N	0	0	452.264	5.252	40	5		JKBBRN
Cc1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	ZINC000409272896	570189408	/nfs/dbraw/zinc/18/94/08/570189408.db2.gz	UDVWEIDDMIUWFW-UHFFFAOYSA-N	0	0	494.356	5.044	40	5		JKBBRN
CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408540976	570191513	/nfs/dbraw/zinc/19/15/13/570191513.db2.gz	AIIGUDOKTYXXKI-YVMONPNESA-N	0	0	456.367	5.069	40	5		JKBBRN
COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1	ZINC000408544946	570192664	/nfs/dbraw/zinc/19/26/64/570192664.db2.gz	WGNKHWNQAOMRCS-YVMONPNESA-N	0	0	479.714	6.065	40	5		JKBBRN
COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3C=O)n2)cc1OC	ZINC000408547171	570193636	/nfs/dbraw/zinc/19/36/36/570193636.db2.gz	SUMAXUKDKYMVFG-UHFFFAOYSA-N	0	0	465.409	5.052	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	ZINC000408554432	570196209	/nfs/dbraw/zinc/19/62/09/570196209.db2.gz	CSPBOKSTYWEILV-UHFFFAOYSA-N	0	0	491.769	6.601	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2cccc3ccccc32)c1	ZINC000408555539	570196870	/nfs/dbraw/zinc/19/68/70/570196870.db2.gz	GITXOLNUPJHAMZ-UHFFFAOYSA-N	0	0	463.331	6.702	40	5		JKBBRN
Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000408555670	570196948	/nfs/dbraw/zinc/19/69/48/570196948.db2.gz	HCUSMEUJUSKFEH-UHFFFAOYSA-N	0	0	460.317	5.840	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	ZINC000408557335	570198156	/nfs/dbraw/zinc/19/81/56/570198156.db2.gz	MSXLKEXKEZZFFQ-UHFFFAOYSA-N	0	0	469.925	5.585	40	5		JKBBRN
Cc1ccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)cc1Cl	ZINC000408557399	570198188	/nfs/dbraw/zinc/19/81/88/570198188.db2.gz	NEYPZIQBKFRFKX-UHFFFAOYSA-N	0	0	460.317	5.840	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1	ZINC000408559787	570200001	/nfs/dbraw/zinc/20/00/01/570200001.db2.gz	WPBXHWAYCFNBPU-UHFFFAOYSA-N	0	0	461.287	5.696	40	5		JKBBRN
CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1cccc(Cl)c1	ZINC000408560053	570200277	/nfs/dbraw/zinc/20/02/77/570200277.db2.gz	ZUXZOOZYXRVOGO-UHFFFAOYSA-N	0	0	489.937	5.008	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)cc1	ZINC000408560612	570200474	/nfs/dbraw/zinc/20/04/74/570200474.db2.gz	DPZVJZROOGXLSI-ATJXCDBQSA-N	0	0	450.347	5.755	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408561268	570200942	/nfs/dbraw/zinc/20/09/42/570200942.db2.gz	HJAGOUWTDGJJBB-ATJXCDBQSA-N	0	0	495.344	5.663	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408561547	570201167	/nfs/dbraw/zinc/20/11/67/570201167.db2.gz	JKZAYZDEDAEUIS-ATJXCDBQSA-N	0	0	450.347	5.755	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(C)c(C)c1	ZINC000408562116	570201457	/nfs/dbraw/zinc/20/14/57/570201457.db2.gz	MUFPFLSUGHMNLV-BZZOAKBMSA-N	0	0	457.983	6.109	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408562453	570201725	/nfs/dbraw/zinc/20/17/25/570201725.db2.gz	PQVANFHCVPHYTQ-DAFNUICNSA-N	0	0	498.819	6.799	40	5		JKBBRN
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000408563204	570202072	/nfs/dbraw/zinc/20/20/72/570202072.db2.gz	KDVAGCGQZSHBGM-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	ZINC000408564474	570202606	/nfs/dbraw/zinc/20/26/06/570202606.db2.gz	DDMNBCGEEMQPKF-DVKBMCPXSA-N	0	0	498.366	5.094	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1	ZINC000408564589	570202746	/nfs/dbraw/zinc/20/27/46/570202746.db2.gz	ZUFURHSOYJMNRR-XDOYNYLZSA-N	0	0	460.899	5.010	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccccc1	ZINC000408564792	570202748	/nfs/dbraw/zinc/20/27/48/570202748.db2.gz	AHAKCGYPYHWNKG-HSZRJFAPSA-N	0	0	480.977	5.918	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccccc1	ZINC000408564794	570202803	/nfs/dbraw/zinc/20/28/03/570202803.db2.gz	AHIPWUGFRCHNMF-HSZRJFAPSA-N	0	0	464.522	5.404	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccccc1	ZINC000408564793	570202816	/nfs/dbraw/zinc/20/28/16/570202816.db2.gz	AHAKCGYPYHWNKG-QHCPKHFHSA-N	0	0	480.977	5.918	40	5		JKBBRN
Cc1ccc(COc2ccc(Br)cc2[C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1	ZINC000408564816	570202878	/nfs/dbraw/zinc/20/28/78/570202878.db2.gz	AJYTVVXRXJGSBC-QFIPXVFZSA-N	0	0	465.347	6.226	40	5		JKBBRN
Cc1ccc(COc2ccc(Br)cc2[C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1	ZINC000408564811	570202909	/nfs/dbraw/zinc/20/29/09/570202909.db2.gz	AJYTVVXRXJGSBC-JOCHJYFZSA-N	0	0	465.347	6.226	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc(F)c1	ZINC000408564884	570202927	/nfs/dbraw/zinc/20/29/27/570202927.db2.gz	AQNHEUUKUNIZAQ-FQEVSTJZSA-N	0	0	499.336	6.066	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(F)cc1	ZINC000408564985	570202953	/nfs/dbraw/zinc/20/29/53/570202953.db2.gz	AWJVEMSRKYAYPM-QHCPKHFHSA-N	0	0	464.522	5.404	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(C)cc1	ZINC000408565119	570203033	/nfs/dbraw/zinc/20/30/33/570203033.db2.gz	BFUTWTPOJCOXGT-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1cccc(C)c1	ZINC000408565238	570203231	/nfs/dbraw/zinc/20/32/31/570203231.db2.gz	BKSRCURFGSTAMN-XMMPIXPASA-N	0	0	460.559	5.573	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1cccc(F)c1	ZINC000408565283	570203233	/nfs/dbraw/zinc/20/32/33/570203233.db2.gz	BNSVQGDNIOCDTG-NRFANRHFSA-N	0	0	468.912	6.347	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(C)c(C)c1	ZINC000408565721	570203512	/nfs/dbraw/zinc/20/35/12/570203512.db2.gz	CXELEHBALJNHRE-RUZDIDTESA-N	0	0	492.576	6.021	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	ZINC000408566035	570203653	/nfs/dbraw/zinc/20/36/53/570203653.db2.gz	DPHHDATXJJDNAI-LJQANCHMSA-N	0	0	459.304	6.601	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(C)cc1	ZINC000408566245	570203730	/nfs/dbraw/zinc/20/37/30/570203730.db2.gz	FDQXTAYYOOIYAT-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-]	ZINC000409330173	570203815	/nfs/dbraw/zinc/20/38/15/570203815.db2.gz	JXMXSNOFEFXAPN-MHZLTWQESA-N	0	0	465.509	5.969	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccccc1	ZINC000408567070	570203906	/nfs/dbraw/zinc/20/39/06/570203906.db2.gz	GGQKWOIUEGGFCR-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	ZINC000408568091	570204125	/nfs/dbraw/zinc/20/41/25/570204125.db2.gz	HPSSHQMNVZGLAT-HXUWFJFHSA-N	0	0	496.317	5.826	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccccc1	ZINC000408569077	570204236	/nfs/dbraw/zinc/20/42/36/570204236.db2.gz	IRJRGZPLUYAFHK-HSZRJFAPSA-N	0	0	480.977	5.918	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1	ZINC000408569070	570204273	/nfs/dbraw/zinc/20/42/73/570204273.db2.gz	IPHNILGDYLZWBV-OAQYLSRUSA-N	0	0	495.373	6.317	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	ZINC000408569358	570204370	/nfs/dbraw/zinc/20/43/70/570204370.db2.gz	VVVAEURPYQOLKK-FMNCTDSISA-N	0	0	498.366	5.094	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	ZINC000408569523	570204377	/nfs/dbraw/zinc/20/43/77/570204377.db2.gz	JKBWRQCWHRIMKA-FQEVSTJZSA-N	0	0	496.317	5.826	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	ZINC000408569356	570204419	/nfs/dbraw/zinc/20/44/19/570204419.db2.gz	VVVAEURPYQOLKK-DPQOWFAMSA-N	0	0	498.366	5.094	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1cccc(C)c1	ZINC000408569580	570204438	/nfs/dbraw/zinc/20/44/38/570204438.db2.gz	JQUJYZCNCZMYMB-VWLOTQADSA-N	0	0	474.586	5.882	40	5		JKBBRN
CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCC)c(Cl)c2)cc1	ZINC000408569847	570204444	/nfs/dbraw/zinc/20/44/44/570204444.db2.gz	JYLSZANLHRSYAZ-LJQANCHMSA-N	0	0	497.404	5.790	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1	ZINC000408570675	570204607	/nfs/dbraw/zinc/20/46/07/570204607.db2.gz	LVCYSORLECJMGS-XMMPIXPASA-N	0	0	476.558	5.273	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1cccc(C)c1	ZINC000408571153	570204649	/nfs/dbraw/zinc/20/46/49/570204649.db2.gz	NWRRJXAHGVQNTF-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Br	ZINC000408571164	570204651	/nfs/dbraw/zinc/20/46/51/570204651.db2.gz	NYNOALISHWOAML-QGZVFWFLSA-N	0	0	483.775	5.110	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccccc1	ZINC000408571125	570204659	/nfs/dbraw/zinc/20/46/59/570204659.db2.gz	NRXBKDAWJZTFLN-QHCPKHFHSA-N	0	0	464.522	5.404	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1F	ZINC000408571378	570204735	/nfs/dbraw/zinc/20/47/35/570204735.db2.gz	ONYLQQZHDSOLQA-LJQANCHMSA-N	0	0	454.885	5.957	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccccc1	ZINC000408571332	570204763	/nfs/dbraw/zinc/20/47/63/570204763.db2.gz	OJLVOUIQJLTLPR-XMMPIXPASA-N	0	0	460.559	5.573	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(C)cc1	ZINC000408571924	570204848	/nfs/dbraw/zinc/20/48/48/570204848.db2.gz	PXBWICNVPDUQKH-XMMPIXPASA-N	0	0	495.004	6.227	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1	ZINC000408571955	570204858	/nfs/dbraw/zinc/20/48/58/570204858.db2.gz	QBMROLMQFNOAHL-DEOSSOPVSA-N	0	0	494.548	5.413	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1cccc(C)c1	ZINC000408571910	570204860	/nfs/dbraw/zinc/20/48/60/570204860.db2.gz	PVERCBBXMOHRLZ-XMMPIXPASA-N	0	0	460.559	5.573	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408572342	570204938	/nfs/dbraw/zinc/20/49/38/570204938.db2.gz	QXRXPLYDZYUVPZ-OAQYLSRUSA-N	0	0	496.317	5.826	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(C)c(C)c1	ZINC000408572668	570205020	/nfs/dbraw/zinc/20/50/20/570205020.db2.gz	RRPYVYSGKWPKDB-SANMLTNESA-N	0	0	488.613	6.190	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(C)c(C)c1	ZINC000408574047	570205358	/nfs/dbraw/zinc/20/53/58/570205358.db2.gz	UMGRSMMMXWRDHM-VWLOTQADSA-N	0	0	492.576	6.021	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccccc1	ZINC000408574461	570205399	/nfs/dbraw/zinc/20/53/99/570205399.db2.gz	UVQOKGJONBWBCV-QHCPKHFHSA-N	0	0	464.522	5.404	40	5		JKBBRN
CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1	ZINC000408574521	570205426	/nfs/dbraw/zinc/20/54/26/570205426.db2.gz	VCGMNKCCNDWXSI-IBGZPJMESA-N	0	0	477.384	5.155	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	ZINC000408574402	570205428	/nfs/dbraw/zinc/20/54/28/570205428.db2.gz	USSCFRUKSTZYQP-SFHVURJKSA-N	0	0	475.759	7.116	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(Cl)cc1	ZINC000408574405	570205432	/nfs/dbraw/zinc/20/54/32/570205432.db2.gz	USUUQKHGAAJMGQ-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408574642	570205453	/nfs/dbraw/zinc/20/54/53/570205453.db2.gz	JONINGCAMAMJRB-UHFFFAOYSA-N	0	0	499.854	5.320	40	5		JKBBRN
CCn1c2ccccc2c2cc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)ccc21	ZINC000408574701	570205466	/nfs/dbraw/zinc/20/54/66/570205466.db2.gz	CAKPNWUCULTUQS-XIEYBQDHSA-N	0	0	461.521	6.902	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc(F)c2)c(Br)c1	ZINC000408575060	570205555	/nfs/dbraw/zinc/20/55/55/570205555.db2.gz	VVXMUOQNVREOSZ-FQEVSTJZSA-N	0	0	469.310	6.057	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(F)cc1	ZINC000408575074	570205587	/nfs/dbraw/zinc/20/55/87/570205587.db2.gz	VYJPYSGNSMJMBW-HSZRJFAPSA-N	0	0	482.512	5.543	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccccc1	ZINC000408575370	570205641	/nfs/dbraw/zinc/20/56/41/570205641.db2.gz	WAWDPYUASPGRKP-HSZRJFAPSA-N	0	0	464.522	5.404	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(Cl)cc1	ZINC000408576565	570205964	/nfs/dbraw/zinc/20/59/64/570205964.db2.gz	XSFCMFRNQKOMGP-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1	ZINC000408577043	570206095	/nfs/dbraw/zinc/20/60/95/570206095.db2.gz	YMFDFSVBWLAXOJ-XMMPIXPASA-N	0	0	476.558	5.273	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(F)cc1	ZINC000408577774	570206171	/nfs/dbraw/zinc/20/61/71/570206171.db2.gz	ZVPPATJEXNAQLO-HSZRJFAPSA-N	0	0	464.522	5.404	40	5		JKBBRN
COc1ccc2nc3sc4c(ncnc4SCC(=O)Nc4ccc(N(C)C)cc4)c3cc2c1	ZINC000001327825	194088198	/nfs/dbraw/zinc/08/81/98/194088198.db2.gz	FOHUSGPJVZQJSX-UHFFFAOYSA-N	0	0	475.599	5.198	40	5		JKBBRN
O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000001781741	194138918	/nfs/dbraw/zinc/13/89/18/194138918.db2.gz	FNCVPMMSEQVPBH-SDNWHVSQSA-N	0	0	457.511	5.949	40	5		JKBBRN
CC(=O)Oc1c2cc(/C(Cl)=C/c3ccccc3)c([N+](=O)[O-])cc2n(C(C)=O)c1-c1ccccc1	ZINC000003844805	194364093	/nfs/dbraw/zinc/36/40/93/194364093.db2.gz	OSXCWSPSRGIUPH-XKZIYDEJSA-N	0	0	474.900	6.539	40	5		JKBBRN
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000003844727	194364145	/nfs/dbraw/zinc/36/41/45/194364145.db2.gz	VYEOHMXBLIEAPS-HZPDHXFCSA-N	0	0	464.430	5.339	40	5		JKBBRN
COc1cc2c(cc1OC)c1c(OC)c(OC)cc3c1c(c2C(=O)c1ccccc1)N(C)CC3	ZINC000005224358	194404097	/nfs/dbraw/zinc/40/40/97/194404097.db2.gz	MYSNZENUPZGNLK-UHFFFAOYSA-N	0	0	457.526	5.251	40	5		JKBBRN
CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610291	195183241	/nfs/dbraw/zinc/18/32/41/195183241.db2.gz	KNTHODNZTWKNTK-UHFFFAOYSA-N	0	0	469.457	5.240	40	5		JKBBRN
CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020610300	195183328	/nfs/dbraw/zinc/18/33/28/195183328.db2.gz	VBEYQBXUPZNFMB-UHFFFAOYSA-N	0	0	499.483	5.248	40	5		JKBBRN
CC(C)c1ccc(-n2nc3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1	ZINC000020610569	195183526	/nfs/dbraw/zinc/18/35/26/195183526.db2.gz	IKOUDYKDVXGXNX-UHFFFAOYSA-N	0	0	491.960	6.573	40	5		JKBBRN
CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000020610600	195183648	/nfs/dbraw/zinc/18/36/48/195183648.db2.gz	WCDBVYYVKMAGDQ-UUILKARUSA-N	0	0	461.909	5.757	40	5		JKBBRN
COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1Cl	ZINC000020610829	195183776	/nfs/dbraw/zinc/18/37/76/195183776.db2.gz	SFVDUWQHDVBCAB-YCRREMRBSA-N	0	0	484.299	5.296	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)c([N+](=O)[O-])c1	ZINC000020610954	195184200	/nfs/dbraw/zinc/18/42/00/195184200.db2.gz	UIKVUQAFRYVFKJ-UHFFFAOYSA-N	0	0	469.457	5.158	40	5		JKBBRN
CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1	ZINC000020611232	195184969	/nfs/dbraw/zinc/18/49/69/195184969.db2.gz	HXSZGTQBSPTTRP-UHFFFAOYSA-N	0	0	481.512	6.020	40	5		JKBBRN
CCc1nc(SCc2ccc(NC(=O)c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)cc2)n[nH]1	ZINC000020611436	195185111	/nfs/dbraw/zinc/18/51/11/195185111.db2.gz	RRPQOUDWQFGFEK-UHFFFAOYSA-N	0	0	479.518	5.089	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	ZINC000020611832	195185913	/nfs/dbraw/zinc/18/59/13/195185913.db2.gz	UKSWTGAPIYTDQQ-RMKNXTFCSA-N	0	0	488.327	5.650	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	ZINC000020611827	195186030	/nfs/dbraw/zinc/18/60/30/195186030.db2.gz	URPUHQOINVBXGE-XBXARRHUSA-N	0	0	488.327	5.650	40	5		JKBBRN
CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1	ZINC000020671787	195198813	/nfs/dbraw/zinc/19/88/13/195198813.db2.gz	ZZFMMAODYBQIDL-IBGZPJMESA-N	0	0	473.558	5.361	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020759864	195217273	/nfs/dbraw/zinc/21/72/73/195217273.db2.gz	WCUUCLVODQCGSN-UHFFFAOYSA-N	0	0	459.698	5.336	40	5		JKBBRN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1	ZINC000020797313	195225962	/nfs/dbraw/zinc/22/59/62/195225962.db2.gz	JHLOLAZWGGXPNZ-QFIPXVFZSA-N	0	0	459.893	5.526	40	5		JKBBRN
CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1	ZINC000020969835	195257408	/nfs/dbraw/zinc/25/74/08/195257408.db2.gz	SOQLRVSDCRWUPF-UHFFFAOYSA-N	0	0	481.512	6.184	40	5		JKBBRN
COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1	ZINC000020975366	195258037	/nfs/dbraw/zinc/25/80/37/195258037.db2.gz	MGRJFCIIUKVRAM-UHFFFAOYSA-N	0	0	455.426	5.924	40	5		JKBBRN
CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)CC2)cc1	ZINC000021124243	195280268	/nfs/dbraw/zinc/28/02/68/195280268.db2.gz	VHCKGYMHLTZBCW-UHFFFAOYSA-N	0	0	492.963	5.025	40	5		JKBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000021305960	195293640	/nfs/dbraw/zinc/29/36/40/195293640.db2.gz	QSSAAJJSGDNCGQ-XCVCLJGOSA-N	0	0	492.340	5.354	40	5		JKBBRN
Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2cc1C	ZINC000021578693	195316494	/nfs/dbraw/zinc/31/64/94/195316494.db2.gz	WWNSFVQHHITKFD-UHFFFAOYSA-N	0	0	486.528	5.417	40	5		JKBBRN
Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2cc1C	ZINC000021578720	195316553	/nfs/dbraw/zinc/31/65/53/195316553.db2.gz	PSIXSJCEAJJCGF-RMKNXTFCSA-N	0	0	461.905	6.634	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5cc(C)c(C)cc5o4)ccc3C)o2)c([N+](=O)[O-])c1	ZINC000021578778	195316708	/nfs/dbraw/zinc/31/67/08/195316708.db2.gz	IPTGHVHBCKPELS-UHFFFAOYSA-N	0	0	481.508	7.149	40	5		JKBBRN
COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1	ZINC000021595472	195317808	/nfs/dbraw/zinc/31/78/08/195317808.db2.gz	RHEACFOVDFBEPM-UHFFFAOYSA-N	0	0	494.573	5.406	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000021595464	195317859	/nfs/dbraw/zinc/31/78/59/195317859.db2.gz	QGVXERSGUXUAOE-UHFFFAOYSA-N	0	0	484.320	7.177	40	5		JKBBRN
CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(CCC(c3ccc(C)cc3)=NN2c2ccccc2)S1	ZINC000059120569	195389390	/nfs/dbraw/zinc/38/93/90/195389390.db2.gz	QBQAENDSDALWRX-AREMUKBSSA-N	0	0	485.569	5.717	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3cccc(-c4nc5ncccc5o4)c3)cc2[N+](=O)[O-])CC1	ZINC000059294425	195397003	/nfs/dbraw/zinc/39/70/03/195397003.db2.gz	HMAWBXRQFTWYBT-UHFFFAOYSA-N	0	0	457.490	5.287	40	5		JKBBRN
COc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)ccc1NC(=O)c1ccco1	ZINC000059294549	195397084	/nfs/dbraw/zinc/39/70/84/195397084.db2.gz	HWDJHTGYLVZTCI-UHFFFAOYSA-N	0	0	471.878	5.569	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1[N+](=O)[O-]	ZINC000059463620	195403365	/nfs/dbraw/zinc/40/33/65/195403365.db2.gz	ZHCYMIFEOGWPHB-UHFFFAOYSA-N	0	0	480.889	6.199	40	5		JKBBRN
O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)Nc1ccccc1[N+](=O)[O-]	ZINC000059474796	195403996	/nfs/dbraw/zinc/40/39/96/195403996.db2.gz	MJOHCPVKMCABOL-UHFFFAOYSA-N	0	0	464.528	5.188	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000106680500	195456900	/nfs/dbraw/zinc/45/69/00/195456900.db2.gz	JGUPBVISSHAFRG-HMAPJEAMSA-N	0	0	490.493	5.059	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000106701836	195458770	/nfs/dbraw/zinc/45/87/70/195458770.db2.gz	BCLSXHSAOYFYPE-OYKKKHCWSA-N	0	0	490.537	5.727	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000106702653	195459023	/nfs/dbraw/zinc/45/90/23/195459023.db2.gz	ZPTVCZWZOQQJPM-OYKKKHCWSA-N	0	0	490.537	5.727	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1c(Cl)cccc1Cl	ZINC000106716208	195459894	/nfs/dbraw/zinc/45/98/94/195459894.db2.gz	GPSYKEZXNRCBQO-WCSRMQSCSA-N	0	0	478.140	6.445	40	5		JKBBRN
Cc1c(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc2n1Cc1ccccc1	ZINC000106727031	195460871	/nfs/dbraw/zinc/46/08/71/195460871.db2.gz	CRJWWUAMKIXKDL-MYYYXRDXSA-N	0	0	483.549	6.143	40	5		JKBBRN
C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000224851231	195467802	/nfs/dbraw/zinc/46/78/02/195467802.db2.gz	MOGKZXPJEVSSFF-MRXNPFEDSA-N	0	0	492.403	5.310	40	5		JKBBRN
Brc1ccc2c(c1)[nH]c1nc3c(Br)cc(Br)cc3nc21	ZINC000016431043	518218025	/nfs/dbraw/zinc/21/80/25/518218025.db2.gz	IDUZYRCLCCWNBV-UHFFFAOYSA-N	0	0	455.935	5.552	40	5		JKBBRN
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1	ZINC000014920334	519803270	/nfs/dbraw/zinc/80/32/70/519803270.db2.gz	MUSCJXZNWNRCOK-CRDCFYADSA-N	0	0	470.549	9.486	40	5		JKBBRN
CC1(C)CC(COC(=O)c2c3ccccc3c3ccc4cccc5ccc2c3c45)CC(C)(C)N1O	ZINC000005639602	520282492	/nfs/dbraw/zinc/28/24/92/520282492.db2.gz	JVRALYMPNFPWDG-UHFFFAOYSA-N	0	0	465.593	7.552	40	5		JKBBRN
CC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12CCCC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12C	ZINC000068568393	520787948	/nfs/dbraw/zinc/78/79/48/520787948.db2.gz	JUZKFQCYFDYRMJ-UHFFFAOYSA-N	0	0	476.663	8.999	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1	ZINC000022566953	521264636	/nfs/dbraw/zinc/26/46/36/521264636.db2.gz	LGHODBAFVYVBSE-UHFFFAOYSA-N	0	0	459.506	5.241	40	5		JKBBRN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1	ZINC000022572932	521265243	/nfs/dbraw/zinc/26/52/43/521265243.db2.gz	NJDMSDITKIGEQY-UHFFFAOYSA-N	0	0	463.925	5.885	40	5		JKBBRN
COc1cc2oc3cc(=O)cc4oc(-c5ccccc5)cc(c43)c2c2c1CC[C@@H](c1ccccc1)O2	ZINC000014614772	523073857	/nfs/dbraw/zinc/07/38/57/523073857.db2.gz	ZKOTWKIEVACBFM-QHCPKHFHSA-N	0	0	474.512	7.434	40	5	biogenic,in-vitro	JKBBRN
CCn1c2c3ccccc3c(C(=O)c3cc(OC)c(OC)c(OC)c3)n2c2c3ccccc3oc2c1=O	ZINC000016756707	523255769	/nfs/dbraw/zinc/25/57/69/523255769.db2.gz	HORLMQRCXSSWTQ-UHFFFAOYSA-N	0	0	496.519	5.430	40	5		JKBBRN
Cc1ccc(NCc2nn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=S)n2-c2ccccc2C)cc1	ZINC000016769329	525287775	/nfs/dbraw/zinc/28/77/75/525287775.db2.gz	AWKJAZRRHAHLBX-UHFFFAOYSA-N	0	0	473.558	5.423	40	5		JKBBRN
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3c3nc4ccccc4n32)cc1	ZINC000016310656	525615621	/nfs/dbraw/zinc/61/56/21/525615621.db2.gz	YDJKLRDZFHENMP-UHFFFAOYSA-N	0	0	464.550	5.812	40	5		JKBBRN
Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)nc2c3ccccc3ccc12	ZINC000012484566	525767087	/nfs/dbraw/zinc/76/70/87/525767087.db2.gz	FLYNBJPMTQARDG-UHFFFAOYSA-N	0	0	469.997	7.143	40	5		JKBBRN
O=C(COC(=O)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1)c1ccc(Cl)cc1	ZINC000002762295	526915281	/nfs/dbraw/zinc/91/52/81/526915281.db2.gz	HPCAZJWSOYZXDM-UHFFFAOYSA-N	0	0	495.918	5.197	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000036627513	527183572	/nfs/dbraw/zinc/18/35/72/527183572.db2.gz	QRWFRFYRNDKPMX-UHFFFAOYSA-N	0	0	453.881	6.083	40	5		JKBBRN
Cc1ncc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1-c1nc(-c2ccc(Cl)cc2)cs1	ZINC000041124295	527294511	/nfs/dbraw/zinc/29/45/11/527294511.db2.gz	JTLRZPGEFXWNQZ-UHFFFAOYSA-N	0	0	453.911	5.047	40	5		JKBBRN
Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000022760915	527429351	/nfs/dbraw/zinc/42/93/51/527429351.db2.gz	QAJLPLZCFFQWCV-UHFFFAOYSA-N	0	0	469.284	5.220	40	5		JKBBRN
O=c1c2ccc(C3=C[C@@H](c4ccccc4)NN3c3ccccc3)c3cccc(c4nc5ccccc5n41)c32	ZINC000016478278	527462803	/nfs/dbraw/zinc/46/28/03/527462803.db2.gz	FENKRRQVHGYMOU-NDEPHWFRSA-N	0	0	490.566	6.699	40	5		JKBBRN
O=c1c2ccc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)c3cccc(c4nc5ccccc5n41)c32	ZINC000016478299	527463259	/nfs/dbraw/zinc/46/32/59/527463259.db2.gz	NTOGFCKPVHTJER-PMERELPUSA-N	0	0	490.566	6.948	40	5		JKBBRN
COc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1-c1ccc(C)cc1	ZINC000000793585	553782136	/nfs/dbraw/zinc/78/21/36/553782136.db2.gz	JIEXEAZJLQWPOD-UHFFFAOYSA-N	0	0	489.557	5.199	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-]	ZINC000000817531	553785912	/nfs/dbraw/zinc/78/59/12/553785912.db2.gz	YEWRBIJJLAKCAR-UHFFFAOYSA-N	0	0	461.518	5.796	40	5		JKBBRN
O=C(Nc1ccc(C(=O)Nc2cccc3ccccc32)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000000843996	553794480	/nfs/dbraw/zinc/79/44/80/553794480.db2.gz	LGMWBQUULVFRIW-UHFFFAOYSA-N	0	0	477.476	6.513	40	5		JKBBRN
O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000000850664	553798288	/nfs/dbraw/zinc/79/82/88/553798288.db2.gz	JNNYUFSORHMIAB-UHFFFAOYSA-N	0	0	450.248	5.187	40	5		JKBBRN
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1c(Cl)cc(Cl)cc1Cl	ZINC000000856400	553800432	/nfs/dbraw/zinc/80/04/32/553800432.db2.gz	OFXXOFKKADYWCD-UHFFFAOYSA-N	0	0	459.698	5.336	40	5		JKBBRN
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1c(Cl)cc(Cl)cc1Cl	ZINC000000863281	553803284	/nfs/dbraw/zinc/80/32/84/553803284.db2.gz	XNHHSLRNLRFOMB-UHFFFAOYSA-N	0	0	459.698	5.336	40	5		JKBBRN
O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000868708	553807442	/nfs/dbraw/zinc/80/74/42/553807442.db2.gz	BMNSOGHMYKRZQQ-UHFFFAOYSA-N	0	0	479.949	5.151	40	5		JKBBRN
CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	ZINC000000868987	553807670	/nfs/dbraw/zinc/80/76/70/553807670.db2.gz	TUUCADKIVOEFHB-UHFFFAOYSA-N	0	0	473.558	5.444	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1	ZINC000000869873	553808463	/nfs/dbraw/zinc/80/84/63/553808463.db2.gz	BGTVWQSJQPUEBK-UHFFFAOYSA-N	0	0	451.552	5.262	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1	ZINC000000888190	553826328	/nfs/dbraw/zinc/82/63/28/553826328.db2.gz	KJBMOPPZFXOLSK-UHFFFAOYSA-N	0	0	479.949	5.535	40	5		JKBBRN
Cc1cccc(C)c1OC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	ZINC000000888301	553826559	/nfs/dbraw/zinc/82/65/59/553826559.db2.gz	VFZMJYSQNOPYLR-UHFFFAOYSA-N	0	0	460.515	5.157	40	5		JKBBRN
O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000001099280	553907638	/nfs/dbraw/zinc/90/76/38/553907638.db2.gz	CKAIBNWNGFGQSJ-UHFFFAOYSA-N	0	0	486.436	5.272	40	5		JKBBRN
Cc1ccc(C(=O)COC(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000001313358	553941428	/nfs/dbraw/zinc/94/14/28/553941428.db2.gz	VUVVKWCBWJCGCJ-UHFFFAOYSA-N	0	0	470.821	5.297	40	5		JKBBRN
Cc1nc2sc3c(c2c(N2CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC2)n1)CC[C@H](C(C)(C)C)C3	ZINC000001357311	553958000	/nfs/dbraw/zinc/95/80/00/553958000.db2.gz	JTSHVAYJMXYCSX-SFHVURJKSA-N	0	0	493.633	5.021	40	5		JKBBRN
Cc1nc2sc3c(c2c(N2CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC2)n1)CC[C@@H](C(C)(C)C)C3	ZINC000001357312	553958068	/nfs/dbraw/zinc/95/80/68/553958068.db2.gz	JTSHVAYJMXYCSX-GOSISDBHSA-N	0	0	493.633	5.021	40	5		JKBBRN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@H](C(Cl)(Cl)Cl)O[C@H]2C(Cl)(Cl)Cl	ZINC000001615450	553980508	/nfs/dbraw/zinc/98/05/08/553980508.db2.gz	FHFYDARLLMBMPK-SFYZADRCSA-N	0	0	460.868	5.020	40	5		JKBBRN
O=C(C[C@@H](c1ccccc1)C([C@@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-])c1ccccc1	ZINC000001723271	553984642	/nfs/dbraw/zinc/98/46/42/553984642.db2.gz	SBZQETAJBOAVFV-NSOVKSMOSA-N	0	0	477.560	6.745	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1	ZINC000001839224	553994213	/nfs/dbraw/zinc/99/42/13/553994213.db2.gz	MYORSIDTRVKEDO-NYUWMOHMSA-N	0	0	475.932	7.222	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1	ZINC000001846699	553995421	/nfs/dbraw/zinc/99/54/21/553995421.db2.gz	UPACAKVQPYTLQU-AWEZNQCLSA-N	0	0	463.921	7.131	40	5		JKBBRN
CN(C)c1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1	ZINC000002326543	554149454	/nfs/dbraw/zinc/14/94/54/554149454.db2.gz	WGCKGYUFBBLHEK-SSUZURRFSA-N	0	0	473.960	5.302	40	5		JKBBRN
O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccccc1C(F)(F)F	ZINC000002751233	554326480	/nfs/dbraw/zinc/32/64/80/554326480.db2.gz	ROFHXYNNQQINLA-UHFFFAOYSA-N	0	0	473.406	7.276	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1	ZINC000002762307	554332201	/nfs/dbraw/zinc/33/22/01/554332201.db2.gz	VFDJIBXYFKUPDL-UHFFFAOYSA-N	0	0	494.931	5.838	40	5		JKBBRN
COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003073603	554425268	/nfs/dbraw/zinc/42/52/68/554425268.db2.gz	OHHKUTLFPOPKDO-UHFFFAOYSA-N	0	0	460.273	5.415	40	5		JKBBRN
O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1ccccc1F	ZINC000003079294	554425324	/nfs/dbraw/zinc/42/53/24/554425324.db2.gz	YAOBLIBTXRBEST-UHFFFAOYSA-N	0	0	478.217	5.383	40	5		JKBBRN
CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1[N+](=O)[O-]	ZINC000003422133	554462926	/nfs/dbraw/zinc/46/29/26/554462926.db2.gz	FGKMGHOJHWPQOV-WZSOFCAESA-N	0	0	452.576	5.492	40	5		JKBBRN
COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000005486925	554491290	/nfs/dbraw/zinc/49/12/90/554491290.db2.gz	XGGDCOUBUFKJKG-SANMLTNESA-N	0	0	490.452	7.065	40	5		JKBBRN
CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1	ZINC000005945008	554497211	/nfs/dbraw/zinc/49/72/11/554497211.db2.gz	YETXMPAADYKQGD-UHFFFAOYSA-N	0	0	470.529	6.379	40	5		JKBBRN
CC(=O)Oc1ccc2ccccc2c1[C@H](NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000006074025	554501635	/nfs/dbraw/zinc/50/16/35/554501635.db2.gz	SPVVKABHUIDWRR-HHHXNRCGSA-N	0	0	454.482	5.122	40	5		JKBBRN
Cc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1	ZINC000006245593	554521923	/nfs/dbraw/zinc/52/19/23/554521923.db2.gz	LMBSLCQOBCTYTQ-GOSISDBHSA-N	0	0	489.557	5.182	40	5		JKBBRN
Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1	ZINC000006245583	554521947	/nfs/dbraw/zinc/52/19/47/554521947.db2.gz	LMBSLCQOBCTYTQ-SFHVURJKSA-N	0	0	489.557	5.182	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1	ZINC000006280066	554524300	/nfs/dbraw/zinc/52/43/00/554524300.db2.gz	KSODMUXQKVEIJR-UHFFFAOYSA-N	0	0	493.976	5.844	40	5		JKBBRN
Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccc(Cl)cc2)cc1	ZINC000006280048	554524307	/nfs/dbraw/zinc/52/43/07/554524307.db2.gz	RAGXGFJOEVYMJN-UHFFFAOYSA-N	0	0	493.976	5.844	40	5		JKBBRN
COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000006297404	554528832	/nfs/dbraw/zinc/52/88/32/554528832.db2.gz	QXFFGSPVMGFQTG-UHFFFAOYSA-N	0	0	464.528	5.007	40	5		JKBBRN
Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)c1	ZINC000006442696	554537070	/nfs/dbraw/zinc/53/70/70/554537070.db2.gz	YFNLMHDHCCGMKZ-UHFFFAOYSA-N	0	0	489.557	5.102	40	5		JKBBRN
Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2cccc(Cl)c2)c1	ZINC000006442757	554537256	/nfs/dbraw/zinc/53/72/56/554537256.db2.gz	RFSMIFSROOPFIY-MRXNPFEDSA-N	0	0	493.976	5.924	40	5		JKBBRN
O=c1n(Cc2ccccc2)c2cc(Nc3ccccc3)c([N+](=O)[O-])cc2n1Cc1ccccc1	ZINC000006446412	554540744	/nfs/dbraw/zinc/54/07/44/554540744.db2.gz	XJIDLBUACWZSRA-UHFFFAOYSA-N	0	0	450.498	5.551	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2nc3c([nH]2)c2ccccc2c2ccc(I)cc32)cc1	ZINC000006446942	554541260	/nfs/dbraw/zinc/54/12/60/554541260.db2.gz	AKXBTPBUZMMQFO-UHFFFAOYSA-N	0	0	465.250	6.049	40	5		JKBBRN
CCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]1C	ZINC000006471884	554543347	/nfs/dbraw/zinc/54/33/47/554543347.db2.gz	XPDXDRYYPOAONP-SKCUWOTOSA-N	0	0	499.611	7.079	40	5		JKBBRN
O=C(CSc1nnc(-c2cc3ccccc3cc2O)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000006474714	554544322	/nfs/dbraw/zinc/54/43/22/554544322.db2.gz	NIBQUDGFTQCABG-UHFFFAOYSA-N	0	0	497.536	5.432	40	5		JKBBRN
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)cc1	ZINC000006474892	554544725	/nfs/dbraw/zinc/54/47/25/554544725.db2.gz	CYJCECNESIQUNF-UHFFFAOYSA-N	0	0	467.348	5.897	40	5		JKBBRN
CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1	ZINC000006844231	554558890	/nfs/dbraw/zinc/55/88/90/554558890.db2.gz	LWJAINDQTMPPDI-UHFFFAOYSA-N	0	0	496.951	6.291	40	5		JKBBRN
CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])c2c1	ZINC000006844273	554559005	/nfs/dbraw/zinc/55/90/05/554559005.db2.gz	LWGZLZDLWLCVPX-UHFFFAOYSA-N	0	0	462.506	5.637	40	5		JKBBRN
CCc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)nc(-c3ccc(F)cc3)nc12	ZINC000006860528	554559048	/nfs/dbraw/zinc/55/90/48/554559048.db2.gz	CNZQOQBTMGHIPI-UHFFFAOYSA-N	0	0	492.532	5.646	40	5		JKBBRN
CCc1cccc2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc(-c3ccc(F)cc3)nc12	ZINC000006860551	554559095	/nfs/dbraw/zinc/55/90/95/554559095.db2.gz	KDCDPUIYVVAHIT-UHFFFAOYSA-N	0	0	462.506	5.637	40	5		JKBBRN
COc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c([N+](=O)[O-])c1	ZINC000006924667	554562247	/nfs/dbraw/zinc/56/22/47/554562247.db2.gz	KBHHZRYLTCNDTO-UHFFFAOYSA-N	0	0	468.296	6.378	40	5		JKBBRN
Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000008831038	554720940	/nfs/dbraw/zinc/72/09/40/554720940.db2.gz	ODNTXMRREVVMQL-UHFFFAOYSA-N	0	0	460.515	5.455	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N+](=O)[O-]	ZINC000008831280	554721785	/nfs/dbraw/zinc/72/17/85/554721785.db2.gz	HIQSRYMVRZCQAI-UHFFFAOYSA-N	0	0	466.302	5.297	40	5		JKBBRN
O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000008831793	554723772	/nfs/dbraw/zinc/72/37/72/554723772.db2.gz	SKCRWAZPHPSDGX-UHFFFAOYSA-N	0	0	457.958	5.024	40	5		JKBBRN
O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008831865	554724223	/nfs/dbraw/zinc/72/42/23/554724223.db2.gz	RGYROHFPUFAVFW-UHFFFAOYSA-N	0	0	461.909	5.644	40	5		JKBBRN
COc1c(Br)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000008832278	554726144	/nfs/dbraw/zinc/72/61/44/554726144.db2.gz	QQQNCBOVHDMZGJ-UHFFFAOYSA-N	0	0	464.497	5.034	40	5		JKBBRN
O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000008832391	554726590	/nfs/dbraw/zinc/72/65/90/554726590.db2.gz	WPMHHGPMGZLJTB-UHFFFAOYSA-N	0	0	455.253	5.927	40	5		JKBBRN
Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000008833016	554729429	/nfs/dbraw/zinc/72/94/29/554729429.db2.gz	LXIODTMTJMAMAL-UHFFFAOYSA-N	0	0	491.411	5.091	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000008833094	554729621	/nfs/dbraw/zinc/72/96/21/554729621.db2.gz	CXWBOEMJWOGYMZ-XBXARRHUSA-N	0	0	496.759	6.341	40	5		JKBBRN
COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000008833230	554730434	/nfs/dbraw/zinc/73/04/34/554730434.db2.gz	ZXVUYIWXWBDPRP-UHFFFAOYSA-N	0	0	494.754	5.299	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000008833301	554730536	/nfs/dbraw/zinc/73/05/36/554730536.db2.gz	SNKBIKRCRWYZKZ-QPJJXVBHSA-N	0	0	492.340	5.697	40	5		JKBBRN
CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3O)nc2c1	ZINC000008835143	554733515	/nfs/dbraw/zinc/73/35/15/554733515.db2.gz	OYEKWFRVYDLTEM-UHFFFAOYSA-N	0	0	476.514	5.106	40	5		JKBBRN
Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3O)oc2c(C)c1	ZINC000008835195	554733802	/nfs/dbraw/zinc/73/38/02/554733802.db2.gz	MMXFPODCHMNLBM-UHFFFAOYSA-N	0	0	476.514	5.161	40	5		JKBBRN
CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1[N+](=O)[O-]	ZINC000008835264	554734008	/nfs/dbraw/zinc/73/40/08/554734008.db2.gz	PUEVYHQKQXFOCR-UHFFFAOYSA-N	0	0	492.582	5.705	40	5		JKBBRN
O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008835412	554734382	/nfs/dbraw/zinc/73/43/82/554734382.db2.gz	KZBLYQVNAWPWKG-UHFFFAOYSA-N	0	0	496.401	5.238	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc2c(Br)cccc12	ZINC000008895130	554784720	/nfs/dbraw/zinc/78/47/20/554784720.db2.gz	VUKAZRNIIFEAEZ-UHFFFAOYSA-N	0	0	478.755	5.599	40	5		JKBBRN
O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008898881	554789515	/nfs/dbraw/zinc/78/95/15/554789515.db2.gz	ZGKNNLIPNSBIPO-UHFFFAOYSA-N	0	0	478.744	7.084	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000008899858	554791175	/nfs/dbraw/zinc/79/11/75/554791175.db2.gz	SBKQRFXKWGHICU-CSKARUKUSA-N	0	0	486.336	6.937	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000008900174	554792114	/nfs/dbraw/zinc/79/21/14/554792114.db2.gz	BZDDFQVKGKUJES-UHFFFAOYSA-N	0	0	496.882	5.284	40	5		JKBBRN
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000008900332	554792605	/nfs/dbraw/zinc/79/26/05/554792605.db2.gz	JUHSWMIKTHOIDP-UHFFFAOYSA-N	0	0	476.924	5.143	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000008900938	554793717	/nfs/dbraw/zinc/79/37/17/554793717.db2.gz	YWSZDJGYDGNWJN-UHFFFAOYSA-N	0	0	484.512	5.754	40	5		JKBBRN
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000008901475	554794809	/nfs/dbraw/zinc/79/48/09/554794809.db2.gz	BWPLVVYTYHITMA-UHFFFAOYSA-N	0	0	496.523	5.070	40	5		JKBBRN
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008901827	554795460	/nfs/dbraw/zinc/79/54/60/554795460.db2.gz	NDNROQNZYQFFDH-UHFFFAOYSA-N	0	0	499.354	5.116	40	5		JKBBRN
CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1	ZINC000008903216	554797257	/nfs/dbraw/zinc/79/72/57/554797257.db2.gz	AZFOXGGHAUDEJT-UHFFFAOYSA-N	0	0	482.562	5.404	40	5		JKBBRN
C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N1[C@@H](C)CCC[C@@H]1C	ZINC000008965774	554841018	/nfs/dbraw/zinc/84/10/18/554841018.db2.gz	FCUDTFSZOAMCDU-OKZBNKHCSA-N	0	0	465.579	5.113	40	5		JKBBRN
CN(C)c1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1	ZINC000009008993	554863019	/nfs/dbraw/zinc/86/30/19/554863019.db2.gz	WGCKGYUFBBLHEK-QUMGSSFMSA-N	0	0	473.960	5.302	40	5		JKBBRN
O=C(CSc1nc(-c2ccccc2)nc2c3ccccc3ccc12)Nc1cccc(Cl)c1Cl	ZINC000009057297	554876556	/nfs/dbraw/zinc/87/65/56/554876556.db2.gz	HZJXPZRZMNELDG-UHFFFAOYSA-N	0	0	490.415	7.488	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1NC(=O)c1cccc2ccccc21	ZINC000009062407	554879932	/nfs/dbraw/zinc/87/99/32/554879932.db2.gz	GAYOFSSAOQQNRE-UHFFFAOYSA-N	0	0	479.452	5.303	40	5		JKBBRN
Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br	ZINC000009064614	554882934	/nfs/dbraw/zinc/88/29/34/554882934.db2.gz	BWPSADJFSNQVGQ-UHFFFAOYSA-N	0	0	460.309	5.053	40	5		JKBBRN
O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000009232584	555004982	/nfs/dbraw/zinc/00/49/82/555004982.db2.gz	VRWBMEXBFVDHTL-LPYMAVHISA-N	0	0	464.474	5.549	40	5		JKBBRN
O=C1S/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000009233161	555005729	/nfs/dbraw/zinc/00/57/29/555005729.db2.gz	HYZLVUUKQFMRBK-REZTVBANSA-N	0	0	458.293	5.075	40	5		JKBBRN
O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000009233409	555006495	/nfs/dbraw/zinc/00/64/95/555006495.db2.gz	ZDJYLOKTBKZZJC-YBFXNURJSA-N	0	0	457.870	5.415	40	5		JKBBRN
O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(-c2ccccc2)c1	ZINC000009291936	555066817	/nfs/dbraw/zinc/06/68/17/555066817.db2.gz	JRARFLXUKCVKRZ-PFBJBMPXSA-N	0	0	491.503	5.313	40	5		JKBBRN
O=Cc1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1	ZINC000009296555	555073331	/nfs/dbraw/zinc/07/33/31/555073331.db2.gz	IVXUFQLAWKQOKF-UHFFFAOYSA-N	0	0	469.007	5.743	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)o1	ZINC000013371653	555392376	/nfs/dbraw/zinc/39/23/76/555392376.db2.gz	AEIIUNVCKXRHDM-UHFFFAOYSA-N	0	0	480.476	6.497	40	5		JKBBRN
O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000013371647	555392429	/nfs/dbraw/zinc/39/24/29/555392429.db2.gz	UHFYQBDTXRPOHX-UHFFFAOYSA-N	0	0	459.849	5.494	40	5		JKBBRN
COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2C)sc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000013388459	555394188	/nfs/dbraw/zinc/39/41/88/555394188.db2.gz	OXNXQPLDEMXLQF-UHFFFAOYSA-N	0	0	487.921	5.218	40	5		JKBBRN
Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000013389074	555394394	/nfs/dbraw/zinc/39/43/94/555394394.db2.gz	OPUIDKILAPUACF-ZKBLBJRCSA-N	0	0	462.505	5.327	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21	ZINC000013388941	555394419	/nfs/dbraw/zinc/39/44/19/555394419.db2.gz	KYGXQOZYVYOFBN-UHFFFAOYSA-N	0	0	464.934	5.898	40	5		JKBBRN
O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000013425246	555399267	/nfs/dbraw/zinc/39/92/67/555399267.db2.gz	XJLFXFLVTVAZBO-UHFFFAOYSA-N	0	0	468.844	5.455	40	5		JKBBRN
CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3Cl)c2C)n1Cc1cccc([N+](=O)[O-])c1	ZINC000013500045	555436079	/nfs/dbraw/zinc/43/60/79/555436079.db2.gz	VYRXNZKVEJZDNN-UHFFFAOYSA-N	0	0	492.967	6.336	40	5		JKBBRN
CCCCc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000013509750	555481763	/nfs/dbraw/zinc/48/17/63/555481763.db2.gz	HAHQLAPNQDZADR-UHFFFAOYSA-N	0	0	477.952	5.945	40	5		JKBBRN
Cc1cccc(C)c1NC(=O)CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc21	ZINC000013511013	555482736	/nfs/dbraw/zinc/48/27/36/555482736.db2.gz	ZHUVNLZQZQRZPJ-UHFFFAOYSA-N	0	0	451.533	5.009	40	5		JKBBRN
COc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(Cl)cc4)nsc32)c([N+](=O)[O-])c1	ZINC000013510977	555482792	/nfs/dbraw/zinc/48/27/92/555482792.db2.gz	QLHQXOQDMLJGHG-UHFFFAOYSA-N	0	0	487.950	5.054	40	5		JKBBRN
O=C(CSc1ncnc2c(-c3ccc(Cl)cc3)nsc21)Nc1cccc([N+](=O)[O-])c1	ZINC000013510980	555482842	/nfs/dbraw/zinc/48/28/42/555482842.db2.gz	UGRHGHXSIJQJHN-UHFFFAOYSA-N	0	0	457.924	5.046	40	5		JKBBRN
O=C(CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc21)Nc1cc(Cl)ccc1Cl	ZINC000013511039	555483084	/nfs/dbraw/zinc/48/30/84/555483084.db2.gz	DYGKZCWPDYCHBD-UHFFFAOYSA-N	0	0	492.369	5.699	40	5		JKBBRN
O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000019894540	555532948	/nfs/dbraw/zinc/53/29/48/555532948.db2.gz	BILXEGABXNKSSJ-UHFFFAOYSA-N	0	0	477.545	7.305	40	5		JKBBRN
COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl	ZINC000013609693	555533121	/nfs/dbraw/zinc/53/31/21/555533121.db2.gz	LBRBGOPGTFMZBP-UHFFFAOYSA-N	0	0	463.877	5.306	40	5		JKBBRN
CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1ccccc1Cl	ZINC000019927386	555542584	/nfs/dbraw/zinc/54/25/84/555542584.db2.gz	PHGYDBVZPYNDHP-UHFFFAOYSA-N	0	0	481.759	5.264	40	5		JKBBRN
CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1cccc(C)c1	ZINC000019927626	555542638	/nfs/dbraw/zinc/54/26/38/555542638.db2.gz	RTBVZUZAOCSKQD-UHFFFAOYSA-N	0	0	466.350	5.219	40	5		JKBBRN
O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1	ZINC000013633032	555543228	/nfs/dbraw/zinc/54/32/28/555543228.db2.gz	MTQZQBHVYUAPJO-UHFFFAOYSA-N	0	0	485.371	5.476	40	5		JKBBRN
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(Cl)cc1Cl	ZINC000009848207	555550308	/nfs/dbraw/zinc/55/03/08/555550308.db2.gz	GIHMSLOKBUALFR-UHFFFAOYSA-N	0	0	466.350	5.219	40	5		JKBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)nc21	ZINC000010010631	555592981	/nfs/dbraw/zinc/59/29/81/555592981.db2.gz	QBUVFQDUZPOHBW-UHFFFAOYSA-N	0	0	474.292	5.488	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000010041592	555606126	/nfs/dbraw/zinc/60/61/26/555606126.db2.gz	DSBLYMHQRRYQNB-UHFFFAOYSA-N	0	0	462.502	5.158	40	5		JKBBRN
CCc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)oc2c(Br)c1	ZINC000010119764	555631293	/nfs/dbraw/zinc/63/12/93/555631293.db2.gz	LSVYOCMICIZRBK-UHFFFAOYSA-N	0	0	456.252	5.573	40	5		JKBBRN
Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C	ZINC000010120392	555633112	/nfs/dbraw/zinc/63/31/12/555633112.db2.gz	OTKRWCPTADJUCR-UHFFFAOYSA-N	0	0	470.529	5.550	40	5		JKBBRN
Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C	ZINC000010120393	555633185	/nfs/dbraw/zinc/63/31/85/555633185.db2.gz	SFJPSLIOWGDRNF-UHFFFAOYSA-N	0	0	484.556	5.940	40	5		JKBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000020139640	555662732	/nfs/dbraw/zinc/66/27/32/555662732.db2.gz	KJIWTKAPQTZNHO-UHFFFAOYSA-N	0	0	463.298	6.121	40	5		JKBBRN
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000020139628	555662775	/nfs/dbraw/zinc/66/27/75/555662775.db2.gz	ZSPMWHTWHSLMFZ-UHFFFAOYSA-N	0	0	458.879	5.476	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000020140695	555663356	/nfs/dbraw/zinc/66/33/56/555663356.db2.gz	PUWPYXLHRMDVHF-UHFFFAOYSA-N	0	0	468.849	5.521	40	5		JKBBRN
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)CC1	ZINC000020142850	555663820	/nfs/dbraw/zinc/66/38/20/555663820.db2.gz	MHKTWEKAVSYJQM-UHFFFAOYSA-N	0	0	469.925	5.489	40	5		JKBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000020142812	555663863	/nfs/dbraw/zinc/66/38/63/555663863.db2.gz	VCEPQHZFSAWGLE-UHFFFAOYSA-N	0	0	455.898	5.243	40	5		JKBBRN
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1	ZINC000020151013	555667621	/nfs/dbraw/zinc/66/76/21/555667621.db2.gz	MQPHULFJAQNSLD-KPKJPENVSA-N	0	0	474.469	5.576	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4ccc(CO)o4)ccc3C)o2)c([N+](=O)[O-])c1	ZINC000020151011	555667642	/nfs/dbraw/zinc/66/76/42/555667642.db2.gz	LORWKBZJGHFNCV-XYOKQWHBSA-N	0	0	458.470	5.876	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)o1	ZINC000020151060	555667968	/nfs/dbraw/zinc/66/79/68/555667968.db2.gz	AKVWSWBEXAQXFE-IZZDOVSWSA-N	0	0	478.888	6.221	40	5		JKBBRN
CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1Cl	ZINC000010324327	555683460	/nfs/dbraw/zinc/68/34/60/555683460.db2.gz	ZWTZHVNTXFQONS-UHFFFAOYSA-N	0	0	494.356	5.120	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1cccc2ccccc21	ZINC000014131944	555699642	/nfs/dbraw/zinc/69/96/42/555699642.db2.gz	ZUZJDWCYYSRZOI-WGOQTCKBSA-N	0	0	496.544	6.564	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc2ccccc21	ZINC000014132047	555700034	/nfs/dbraw/zinc/70/00/34/555700034.db2.gz	VJGIQSSKWAIXEH-OEAKJJBVSA-N	0	0	456.479	6.245	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2cc(-c3ccc(Br)cc3)c3c(ccc4ccccc43)n2)c1	ZINC000010372604	555700521	/nfs/dbraw/zinc/70/05/21/555700521.db2.gz	SZHCZWWNCCJWPH-UHFFFAOYSA-N	0	0	455.311	7.393	40	5		JKBBRN
O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014269570	555759497	/nfs/dbraw/zinc/75/94/97/555759497.db2.gz	MPWRURQSIIVDRS-UHFFFAOYSA-N	0	0	453.351	5.019	40	5		JKBBRN
Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c1C	ZINC000014269745	555760118	/nfs/dbraw/zinc/76/01/18/555760118.db2.gz	MGVJKPGBFVAXHD-FMIVXFBMSA-N	0	0	455.923	5.651	40	5		JKBBRN
Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc2c(C)c1	ZINC000014270842	555763910	/nfs/dbraw/zinc/76/39/10/555763910.db2.gz	HTBXBZCOJPHQKB-UHFFFAOYSA-N	0	0	452.517	5.208	40	5		JKBBRN
COc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1[N+](=O)[O-]	ZINC000014271022	555764648	/nfs/dbraw/zinc/76/46/48/555764648.db2.gz	RIEJTAANPZEIPW-UHFFFAOYSA-N	0	0	456.332	5.252	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1	ZINC000014271072	555764954	/nfs/dbraw/zinc/76/49/54/555764954.db2.gz	NNEFGGQLPNGFIT-UHFFFAOYSA-N	0	0	450.303	5.597	40	5		JKBBRN
O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl	ZINC000014272122	555768790	/nfs/dbraw/zinc/76/87/90/555768790.db2.gz	ILKPOPPUNGNYGO-UHFFFAOYSA-N	0	0	462.676	6.616	40	5		JKBBRN
COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1OC	ZINC000014272477	555769979	/nfs/dbraw/zinc/76/99/79/555769979.db2.gz	GVLDDRKFPFUPFK-UHFFFAOYSA-N	0	0	451.460	5.248	40	5		JKBBRN
COc1ccc(Br)cc1/C=C/C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000014272509	555770303	/nfs/dbraw/zinc/77/03/03/555770303.db2.gz	VADSMCMSEKTNJQ-VMPITWQZSA-N	0	0	460.309	5.141	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)c(C)c1	ZINC000014272814	555771105	/nfs/dbraw/zinc/77/11/05/555771105.db2.gz	KBLNGIZQAPFVJG-UHFFFAOYSA-N	0	0	458.522	5.044	40	5		JKBBRN
COc1c(Br)cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000014272932	555771570	/nfs/dbraw/zinc/77/15/70/555771570.db2.gz	DSIMRXGGZORIRM-UHFFFAOYSA-N	0	0	464.497	5.034	40	5		JKBBRN
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000014272949	555771585	/nfs/dbraw/zinc/77/15/85/555771585.db2.gz	RCQFWNVIWVOBQG-GQCTYLIASA-N	0	0	470.117	5.089	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)cc1I	ZINC000014272951	555771646	/nfs/dbraw/zinc/77/16/46/555771646.db2.gz	JIQKQABUYIGRBQ-UHFFFAOYSA-N	0	0	462.243	5.329	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014274577	555777258	/nfs/dbraw/zinc/77/72/58/555777258.db2.gz	WVMMWYVMWFNKKL-XBXARRHUSA-N	0	0	496.759	6.341	40	5		JKBBRN
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccc(Cl)cc2)o1	ZINC000014275244	555780121	/nfs/dbraw/zinc/78/01/21/555780121.db2.gz	APVWAKMDDXUBGX-UHFFFAOYSA-N	0	0	480.727	5.398	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1	ZINC000020353308	555781135	/nfs/dbraw/zinc/78/11/35/555781135.db2.gz	PLUCLYQXDZMVJF-OAHLLOKOSA-N	0	0	474.542	6.043	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1	ZINC000020353318	555781203	/nfs/dbraw/zinc/78/12/03/555781203.db2.gz	OEDOZVFHACPZGA-HNNXBMFYSA-N	0	0	488.569	6.352	40	5		JKBBRN
CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1[N+](=O)[O-]	ZINC000014275696	555781374	/nfs/dbraw/zinc/78/13/74/555781374.db2.gz	AZKGLPNGPHMKBZ-UHFFFAOYSA-N	0	0	490.541	5.545	40	5		JKBBRN
Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000014275824	555782014	/nfs/dbraw/zinc/78/20/14/555782014.db2.gz	RPUHSHUVDQMQLT-UHFFFAOYSA-N	0	0	488.573	5.196	40	5		JKBBRN
Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1[N+](=O)[O-]	ZINC000014275894	555782084	/nfs/dbraw/zinc/78/20/84/555782084.db2.gz	QOBYPMNKRCLDON-UHFFFAOYSA-N	0	0	496.552	5.226	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014276016	555782537	/nfs/dbraw/zinc/78/25/37/555782537.db2.gz	GAKBCEFJSYNNGL-UHFFFAOYSA-N	0	0	497.802	5.128	40	5		JKBBRN
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000014277282	555785655	/nfs/dbraw/zinc/78/56/55/555785655.db2.gz	NBSOSMMHQSPTSC-UHFFFAOYSA-N	0	0	476.986	5.010	40	5		JKBBRN
O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000014277527	555786304	/nfs/dbraw/zinc/78/63/04/555786304.db2.gz	ZQVRDIYLSBRSLS-UHFFFAOYSA-N	0	0	478.744	7.084	40	5		JKBBRN
Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014277639	555786604	/nfs/dbraw/zinc/78/66/04/555786604.db2.gz	INYBIZRROQDOIH-UHFFFAOYSA-N	0	0	474.542	5.269	40	5		JKBBRN
Cc1ccc2nc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1	ZINC000014277820	555786807	/nfs/dbraw/zinc/78/68/07/555786807.db2.gz	GPUHQFHOQZRPSB-UHFFFAOYSA-N	0	0	476.920	6.217	40	5		JKBBRN
Cc1cc2nc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c(C)c1	ZINC000014277835	555786890	/nfs/dbraw/zinc/78/68/90/555786890.db2.gz	CYQMYWPKJLPFBD-UHFFFAOYSA-N	0	0	490.947	6.526	40	5		JKBBRN
CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000014277908	555787129	/nfs/dbraw/zinc/78/71/29/555787129.db2.gz	FUMXNJAHDQJFQR-UHFFFAOYSA-N	0	0	490.947	6.471	40	5		JKBBRN
CCc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1	ZINC000014277846	555787192	/nfs/dbraw/zinc/78/71/92/555787192.db2.gz	BHIDUYFMLDSJRJ-UHFFFAOYSA-N	0	0	490.947	6.471	40	5		JKBBRN
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000020410845	555787823	/nfs/dbraw/zinc/78/78/23/555787823.db2.gz	NCOFLCKVIWWQLC-UHFFFAOYSA-N	0	0	462.289	5.251	40	5		JKBBRN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(I)ccc1Cl	ZINC000014278164	555787995	/nfs/dbraw/zinc/78/79/95/555787995.db2.gz	ZYGSPGZKNPNTEH-UHFFFAOYSA-N	0	0	485.690	5.229	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014278377	555788517	/nfs/dbraw/zinc/78/85/17/555788517.db2.gz	SFAWRAFUVRBTFK-UHFFFAOYSA-N	0	0	480.883	6.048	40	5		JKBBRN
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)c(C)c1	ZINC000014278579	555788818	/nfs/dbraw/zinc/78/88/18/555788818.db2.gz	BUEDKRUWPHNMOU-UHFFFAOYSA-N	0	0	488.548	5.053	40	5		JKBBRN
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000014278688	555789076	/nfs/dbraw/zinc/78/90/76/555789076.db2.gz	KQMDKZXKHVQJHS-GORDUTHDSA-N	0	0	490.535	5.434	40	5		JKBBRN
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014278685	555789107	/nfs/dbraw/zinc/78/91/07/555789107.db2.gz	UWZUZQLLPJPCPF-GORDUTHDSA-N	0	0	490.535	5.434	40	5		JKBBRN
CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1	ZINC000014278781	555789427	/nfs/dbraw/zinc/78/94/27/555789427.db2.gz	YFFFURNRXIESCW-PJQLUOCWSA-N	0	0	477.948	6.450	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3nc4ccc(C(=O)OC(C)C)cc4s3)o2)c([N+](=O)[O-])c1	ZINC000020411831	555789565	/nfs/dbraw/zinc/78/95/65/555789565.db2.gz	ATDPSVCDSNWOQS-UHFFFAOYSA-N	0	0	465.487	5.590	40	5		JKBBRN
O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000020412149	555789811	/nfs/dbraw/zinc/78/98/11/555789811.db2.gz	YFIPELJDOAPQAQ-UHFFFAOYSA-N	0	0	451.523	5.327	40	5		JKBBRN
COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O	ZINC000014278983	555789973	/nfs/dbraw/zinc/78/99/73/555789973.db2.gz	HYAFCHFMIZDZDH-UHFFFAOYSA-N	0	0	485.496	5.229	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)OC4CCCCC4)cc3)o2)c([N+](=O)[O-])c1	ZINC000020412185	555790189	/nfs/dbraw/zinc/79/01/89/555790189.db2.gz	UPRQEABTRRZSCU-UHFFFAOYSA-N	0	0	464.474	5.605	40	5		JKBBRN
CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1	ZINC000014291163	555792520	/nfs/dbraw/zinc/79/25/20/555792520.db2.gz	OOJOEQPGCSJLDU-UHFFFAOYSA-N	0	0	496.951	5.065	40	5		JKBBRN
CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)cc1	ZINC000020528728	555793276	/nfs/dbraw/zinc/79/32/76/555793276.db2.gz	SCBCUTQNFOUFDB-UHFFFAOYSA-N	0	0	492.963	5.025	40	5		JKBBRN
CC(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000020550258	555806968	/nfs/dbraw/zinc/80/69/68/555806968.db2.gz	PCXHILDFDRITMU-XMMPIXPASA-N	0	0	464.363	6.836	40	5		JKBBRN
CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)c1C	ZINC000014405481	555808019	/nfs/dbraw/zinc/80/80/19/555808019.db2.gz	CWOFAIKFPRRELR-OUKQBFOZSA-N	0	0	461.522	5.112	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(Cl)c2C)cc1	ZINC000014413146	555812274	/nfs/dbraw/zinc/81/22/74/555812274.db2.gz	FNUAJVKUBTXQHE-UHFFFAOYSA-N	0	0	487.965	5.007	40	5		JKBBRN
C[C@@H]1CCC[C@@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@@H](C)[C@@H]2C)c4=O)[C@@H]1C	ZINC000020569786	555823208	/nfs/dbraw/zinc/82/32/08/555823208.db2.gz	AASLOMJBKLCZLF-GYDDAVKMSA-N	0	0	486.612	5.060	40	5		JKBBRN
O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	ZINC000014608266	555836814	/nfs/dbraw/zinc/83/68/14/555836814.db2.gz	OEHJBSGYWYPNPN-UHFFFAOYSA-N	0	0	487.613	5.426	40	5		JKBBRN
Cc1c(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cccc1-c1nc2ncccc2o1	ZINC000021595863	555853938	/nfs/dbraw/zinc/85/39/38/555853938.db2.gz	TWDMIRGEFOZPCL-UHFFFAOYSA-N	0	0	464.890	6.227	40	5		JKBBRN
Cc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1Cl	ZINC000021596102	555854471	/nfs/dbraw/zinc/85/44/71/555854471.db2.gz	GCZCEDDUDSUAAK-UHFFFAOYSA-N	0	0	498.347	7.485	40	5		JKBBRN
COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N\c2cccc(C)c2C)cc1OC	ZINC000015277368	555892919	/nfs/dbraw/zinc/89/29/19/555892919.db2.gz	JHJIAFODLSNUBO-DQSJHHFOSA-N	0	0	489.597	6.234	40	5		JKBBRN
C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000015303449	555894014	/nfs/dbraw/zinc/89/40/14/555894014.db2.gz	PHSQMKVKFHIXHK-MRXNPFEDSA-N	0	0	492.498	5.081	40	5		JKBBRN
O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000015303436	555894034	/nfs/dbraw/zinc/89/40/34/555894034.db2.gz	LHRNPVNUYVSXMF-UHFFFAOYSA-N	0	0	489.425	6.398	40	5		JKBBRN
COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000022532675	555932429	/nfs/dbraw/zinc/93/24/29/555932429.db2.gz	RIBZEPYTPAKGRP-UHFFFAOYSA-N	0	0	451.866	5.934	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1Cl	ZINC000022537851	555934231	/nfs/dbraw/zinc/93/42/31/555934231.db2.gz	BSNJHVJRRSJFFJ-JXMROGBWSA-N	0	0	455.923	5.651	40	5		JKBBRN
Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1	ZINC000022562642	555934590	/nfs/dbraw/zinc/93/45/90/555934590.db2.gz	QFMJVPUXXNHCPJ-UHFFFAOYSA-N	0	0	456.502	5.872	40	5		JKBBRN
Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3C)nc2c1	ZINC000022562632	555934617	/nfs/dbraw/zinc/93/46/17/555934617.db2.gz	YLNNLCXWJKIUIH-UHFFFAOYSA-N	0	0	456.502	5.872	40	5		JKBBRN
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc(Cl)c2)o1	ZINC000022566007	555936220	/nfs/dbraw/zinc/93/62/20/555936220.db2.gz	URWPEXSILGVYGQ-UHFFFAOYSA-N	0	0	458.908	5.245	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1Cl	ZINC000022567488	555936534	/nfs/dbraw/zinc/93/65/34/555936534.db2.gz	COIBEUMYICVARE-RMKNXTFCSA-N	0	0	459.886	5.482	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3F)o2)cc1Cl	ZINC000022567492	555936621	/nfs/dbraw/zinc/93/66/21/555936621.db2.gz	GUBUKUXIBAWFAP-RMKNXTFCSA-N	0	0	459.886	5.482	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1[N+](=O)[O-]	ZINC000022568960	555936798	/nfs/dbraw/zinc/93/67/98/555936798.db2.gz	ITVOSKMNBNWTHG-UHFFFAOYSA-N	0	0	461.474	5.679	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000022571763	555937809	/nfs/dbraw/zinc/93/78/09/555937809.db2.gz	QKYJVZBIEWSKDM-UHFFFAOYSA-N	0	0	463.273	5.518	40	5		JKBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1	ZINC000022706241	555943497	/nfs/dbraw/zinc/94/34/97/555943497.db2.gz	JNFMJVKTQXMYKF-UXBLZVDNSA-N	0	0	470.337	6.830	40	5		JKBBRN
Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1	ZINC000022706506	555943765	/nfs/dbraw/zinc/94/37/65/555943765.db2.gz	BYOIINFVHNJZGN-UHFFFAOYSA-N	0	0	470.529	6.181	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000022709038	555945050	/nfs/dbraw/zinc/94/50/50/555945050.db2.gz	YWPRDWGSKUFZSU-UHFFFAOYSA-N	0	0	473.312	5.925	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1Cl	ZINC000022708765	555945150	/nfs/dbraw/zinc/94/51/50/555945150.db2.gz	JOSLVQHOGFYGPU-UHFFFAOYSA-N	0	0	472.935	5.553	40	5		JKBBRN
O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022715401	555947097	/nfs/dbraw/zinc/94/70/97/555947097.db2.gz	FUJUAEYFGMDZIF-UHFFFAOYSA-N	0	0	478.892	5.145	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nc2c1	ZINC000022718358	555948031	/nfs/dbraw/zinc/94/80/31/555948031.db2.gz	FUYSGHUSWVAUAR-KRWDZBQOSA-N	0	0	481.508	7.429	40	5		JKBBRN
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1sc2cc(Cl)ccc2c1Cl	ZINC000022740556	555948945	/nfs/dbraw/zinc/94/89/45/555948945.db2.gz	RLTPMEFFXBQHFK-UHFFFAOYSA-N	0	0	483.383	5.853	40	5		JKBBRN
CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000022745031	555950392	/nfs/dbraw/zinc/95/03/92/555950392.db2.gz	CCSZEVPSFGKEEN-UHFFFAOYSA-N	0	0	487.339	6.234	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1	ZINC000022746470	555951401	/nfs/dbraw/zinc/95/14/01/555951401.db2.gz	FAZYJPFBDWTHPD-OAHLLOKOSA-N	0	0	488.569	6.352	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)c([N+](=O)[O-])cc3C)o2)cc1Cl	ZINC000022748375	555952109	/nfs/dbraw/zinc/95/21/09/555952109.db2.gz	OFLIVKRNXWLIBZ-SOFGYWHQSA-N	0	0	490.368	6.305	40	5		JKBBRN
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3)nc2c1	ZINC000022753016	555953063	/nfs/dbraw/zinc/95/30/63/555953063.db2.gz	RDOIQRXHALWSJS-CQSZACIVSA-N	0	0	494.345	6.931	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000022757638	555954374	/nfs/dbraw/zinc/95/43/74/555954374.db2.gz	SALBWQIVASBMBT-UHFFFAOYSA-N	0	0	497.338	6.562	40	5		JKBBRN
O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1	ZINC000012485517	555987255	/nfs/dbraw/zinc/98/72/55/555987255.db2.gz	STQZTRRHYPBKFP-UHFFFAOYSA-N	0	0	455.699	5.445	40	5		JKBBRN
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)N1c2ccccc2Sc2ccc(Cl)cc21	ZINC000012705748	556103539	/nfs/dbraw/zinc/10/35/39/556103539.db2.gz	IJQGXGZACRHBLF-UHFFFAOYSA-N	0	0	496.957	6.220	40	5		JKBBRN
COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000012844483	556117146	/nfs/dbraw/zinc/11/71/46/556117146.db2.gz	KJTVRMFIVTURSH-GFCCVEGCSA-N	0	0	478.452	5.199	40	5		JKBBRN
COc1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000016217194	556129911	/nfs/dbraw/zinc/12/99/11/556129911.db2.gz	SMRNUEMOGURGLW-GFULKKFKSA-N	0	0	495.495	6.386	40	5		JKBBRN
COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000016228427	556130457	/nfs/dbraw/zinc/13/04/57/556130457.db2.gz	IWZPYVWXMYTTMZ-NRFANRHFSA-N	0	0	480.318	5.357	40	5		JKBBRN
COc1ccccc1Nc1nc(Nc2ccc(Br)c3ccccc23)nc(C)c1[N+](=O)[O-]	ZINC000016249511	556131084	/nfs/dbraw/zinc/13/10/84/556131084.db2.gz	QMCUKTFOEFEILF-UHFFFAOYSA-N	0	0	480.322	6.105	40	5		JKBBRN
Cc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc(-c2nc3ncccc3o2)c1O	ZINC000016269598	556131934	/nfs/dbraw/zinc/13/19/34/556131934.db2.gz	OMLTYBKAXPUVKN-UHFFFAOYSA-N	0	0	480.889	5.932	40	5		JKBBRN
COc1ccc(-c2ccc(C(=O)Nc3cc(C)c(O)c(-c4nc5ncccc5o4)c3)o2)c([N+](=O)[O-])c1	ZINC000016269614	556132003	/nfs/dbraw/zinc/13/20/03/556132003.db2.gz	GLKXWPJLOFKSNH-UHFFFAOYSA-N	0	0	486.440	5.333	40	5		JKBBRN
CC(C)(c1ccccc1)c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1	ZINC000024522645	556133642	/nfs/dbraw/zinc/13/36/42/556133642.db2.gz	ICVONAYDZALBEV-UHFFFAOYSA-N	0	0	473.956	7.945	40	5		JKBBRN
CCCc1cc(-c2nc(-c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cs2)ccn1	ZINC000024522893	556133647	/nfs/dbraw/zinc/13/36/47/556133647.db2.gz	FUNOQOCDUPRYBB-UHFFFAOYSA-N	0	0	451.935	7.179	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000016383957	556136618	/nfs/dbraw/zinc/13/66/18/556136618.db2.gz	CNGMQTWQQBPCDI-UHFFFAOYSA-N	0	0	454.266	5.428	40	5		JKBBRN
O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccc(Cl)cc2)o1	ZINC000016400001	556137827	/nfs/dbraw/zinc/13/78/27/556137827.db2.gz	NRXYMDDBWIXBKX-UHFFFAOYSA-N	0	0	484.946	5.759	40	5		JKBBRN
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000016401724	556138327	/nfs/dbraw/zinc/13/83/27/556138327.db2.gz	GPVZYVBVGISIJK-ORSSICPCSA-N	0	0	482.492	5.278	40	5		JKBBRN
O=C(OCc1ccc(Br)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000016401669	556138387	/nfs/dbraw/zinc/13/83/87/556138387.db2.gz	IRXPIGLMOAUQAL-UHFFFAOYSA-N	0	0	473.235	5.415	40	5		JKBBRN
O=C(c1cccc2c(Br)cccc12)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000016431521	556139261	/nfs/dbraw/zinc/13/92/61/556139261.db2.gz	BZERXYKGJAJAQA-UHFFFAOYSA-N	0	0	474.742	5.126	40	5		JKBBRN
O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000016480365	556140312	/nfs/dbraw/zinc/14/03/12/556140312.db2.gz	SDJIFUPLUZMTKC-UHFFFAOYSA-N	0	0	485.462	5.155	40	5		JKBBRN
O=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000016487872	556140624	/nfs/dbraw/zinc/14/06/24/556140624.db2.gz	RSHGWIBIXIFEPI-UHFFFAOYSA-N	0	0	472.482	5.509	40	5		JKBBRN
O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)nc(Nc3ccccc3)n2)c1	ZINC000016490546	556140907	/nfs/dbraw/zinc/14/09/07/556140907.db2.gz	CZVSXQFOEBLUDF-QUMQEAAQSA-N	0	0	465.469	6.377	40	5		JKBBRN
O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)cc1	ZINC000016545602	556143140	/nfs/dbraw/zinc/14/31/40/556143140.db2.gz	CBOYSRBHOJJLPY-UHFFFAOYSA-N	0	0	483.911	7.230	40	5		JKBBRN
CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2Cl)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2	ZINC000016605540	556145775	/nfs/dbraw/zinc/14/57/75/556145775.db2.gz	SAJSUPBUUWZVLF-MHZLTWQESA-N	0	0	489.959	5.464	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000016611099	556147442	/nfs/dbraw/zinc/14/74/42/556147442.db2.gz	FEXYFBCBNRJKCB-HNNXBMFYSA-N	0	0	488.569	6.352	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1	ZINC000016611226	556147745	/nfs/dbraw/zinc/14/77/45/556147745.db2.gz	VCENMERFLUTICS-HNNXBMFYSA-N	0	0	474.542	6.043	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1	ZINC000016611230	556147765	/nfs/dbraw/zinc/14/77/65/556147765.db2.gz	IUQQIRYGQCWLMY-HNNXBMFYSA-N	0	0	488.569	6.352	40	5		JKBBRN
CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000016611483	556148018	/nfs/dbraw/zinc/14/80/18/556148018.db2.gz	WMMXFSVJARKOOK-HWUWQJTLSA-N	0	0	492.531	5.310	40	5		JKBBRN
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1	ZINC000016682308	556151067	/nfs/dbraw/zinc/15/10/67/556151067.db2.gz	MAVOXAWQBCUAIB-UHFFFAOYSA-N	0	0	484.936	5.526	40	5		JKBBRN
CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(OC)cc1	ZINC000016682610	556151075	/nfs/dbraw/zinc/15/10/75/556151075.db2.gz	RYQWEKGCWVBHTR-HSZRJFAPSA-N	0	0	480.908	5.159	40	5		JKBBRN
CCOc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1	ZINC000016788736	556159775	/nfs/dbraw/zinc/15/97/75/556159775.db2.gz	VWJZMPKFVDJSJW-UHFFFAOYSA-N	0	0	460.515	5.216	40	5		JKBBRN
Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)N4c5ccccc5C[C@H]4C)c3cc2c1	ZINC000013086127	556285893	/nfs/dbraw/zinc/28/58/93/556285893.db2.gz	QUIYOVPKFNGURB-MRXNPFEDSA-N	0	0	470.623	6.079	40	5		JKBBRN
CCCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000019075493	556327990	/nfs/dbraw/zinc/32/79/90/556327990.db2.gz	YBUIUMKZUGYBIE-UHFFFAOYSA-N	0	0	479.485	5.446	40	5		JKBBRN
CCOc1ccc([N+](=O)[O-])cc1C1N(Cc2ccccc2OC)CCCN1Cc1ccccc1OC	ZINC000019326407	556341755	/nfs/dbraw/zinc/34/17/55/556341755.db2.gz	VPCALYCYDKKSIM-UHFFFAOYSA-N	0	0	491.588	5.417	40	5		JKBBRN
N=C(NC(=N)Nc1cc2ccccc2c2ccccc12)Nc1cc2ccccc2c2ccccc12	ZINC000031614446	556400391	/nfs/dbraw/zinc/40/03/91/556400391.db2.gz	UQAUGASXZKLKHW-UHFFFAOYSA-N	0	0	453.549	7.283	40	5		JKBBRN
Cc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(C)cc3)C2c2cccc([N+](=O)[O-])c2)cc1	ZINC000031830093	556408496	/nfs/dbraw/zinc/40/84/96/556408496.db2.gz	AISLSFVIKGFDPP-UHFFFAOYSA-N	0	0	496.567	5.724	40	5		JKBBRN
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2c(Br)cccc12	ZINC000032107011	556418206	/nfs/dbraw/zinc/41/82/06/556418206.db2.gz	LMXRHJKQYVPENL-UHFFFAOYSA-N	0	0	464.728	5.291	40	5		JKBBRN
O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccccc1[N+](=O)[O-]	ZINC000032109349	556418993	/nfs/dbraw/zinc/41/89/93/556418993.db2.gz	KDCUNEQFHJJMAD-UHFFFAOYSA-N	0	0	497.330	5.292	40	5		JKBBRN
Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032111928	556420860	/nfs/dbraw/zinc/42/08/60/556420860.db2.gz	DJIKXYPEFHXCHI-UHFFFAOYSA-N	0	0	459.458	5.228	40	5		JKBBRN
Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-]	ZINC000032112067	556421034	/nfs/dbraw/zinc/42/10/34/556421034.db2.gz	NSSLDXDVSPXKFU-UHFFFAOYSA-N	0	0	487.899	6.536	40	5		JKBBRN
Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032114554	556421333	/nfs/dbraw/zinc/42/13/33/556421333.db2.gz	WJCSNCWRRVEBEO-UHFFFAOYSA-N	0	0	459.458	5.228	40	5		JKBBRN
CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC	ZINC000032115039	556421916	/nfs/dbraw/zinc/42/19/16/556421916.db2.gz	GYTTYDAVZBMVOD-UHFFFAOYSA-N	0	0	496.545	5.119	40	5		JKBBRN
Cc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000032115178	556422139	/nfs/dbraw/zinc/42/21/39/556422139.db2.gz	KCCCVVIUVKXAAA-UHFFFAOYSA-N	0	0	488.525	5.337	40	5		JKBBRN
COc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-]	ZINC000032115400	556422677	/nfs/dbraw/zinc/42/26/77/556422677.db2.gz	INBSGRZODQSNAW-UHFFFAOYSA-N	0	0	459.792	5.596	40	5		JKBBRN
CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1[N+](=O)[O-]	ZINC000032116450	556423693	/nfs/dbraw/zinc/42/36/93/556423693.db2.gz	NLQQKMPWRSUGQL-UHFFFAOYSA-N	0	0	490.541	5.545	40	5		JKBBRN
Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1	ZINC000032124565	556427236	/nfs/dbraw/zinc/42/72/36/556427236.db2.gz	XVILKSDJRHPSNL-HMAPJEAMSA-N	0	0	462.552	6.291	40	5		JKBBRN
O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl	ZINC000032124706	556427734	/nfs/dbraw/zinc/42/77/34/556427734.db2.gz	UMGYJFCVBQZVOF-IUXPMGMMSA-N	0	0	485.370	5.223	40	5		JKBBRN
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000032125194	556429078	/nfs/dbraw/zinc/42/90/78/556429078.db2.gz	AIIBNFSUIPMUPA-ZDUSSCGKSA-N	0	0	484.339	7.476	40	5		JKBBRN
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2=Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000032594551	556448743	/nfs/dbraw/zinc/44/87/43/556448743.db2.gz	JQOXYJDJLCURGZ-IBNIFWCESA-O	0	0	485.545	5.361	40	5		JKBBRN
Cc1nc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)ccc1I	ZINC000057312798	569596347	/nfs/dbraw/zinc/59/63/47/569596347.db2.gz	WUGACXVVXGCCHQ-UHFFFAOYSA-N	0	0	473.679	5.023	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057313058	569596474	/nfs/dbraw/zinc/59/64/74/569596474.db2.gz	ZEZAQBOWJHQUMG-UHFFFAOYSA-N	0	0	484.320	7.177	40	5		JKBBRN
CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1Cl	ZINC000057313148	569596475	/nfs/dbraw/zinc/59/64/75/569596475.db2.gz	CZXHVBQXPBYMCE-ZHACJKMWSA-N	0	0	457.939	5.643	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(-c2cc3ccccc3oc2=O)c1	ZINC000057312987	569596489	/nfs/dbraw/zinc/59/64/89/569596489.db2.gz	NJBDUZBUDXEIND-FYWRMAATSA-N	0	0	478.460	6.280	40	5		JKBBRN
CC1CCN(c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3Cl)cc2[N+](=O)[O-])CC1	ZINC000057313296	569596552	/nfs/dbraw/zinc/59/65/52/569596552.db2.gz	OYNWPFOYDSBFMF-UHFFFAOYSA-N	0	0	490.951	5.471	40	5		JKBBRN
COc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1	ZINC000057315566	569597135	/nfs/dbraw/zinc/59/71/35/569597135.db2.gz	YTSFESFVNWJRLD-UHFFFAOYSA-N	0	0	493.932	5.766	40	5		JKBBRN
CCCCC(=O)Nc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1OC	ZINC000057315731	569597211	/nfs/dbraw/zinc/59/72/11/569597211.db2.gz	NBQOGSCVIFIAHR-UHFFFAOYSA-N	0	0	461.927	5.853	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057316000	569597330	/nfs/dbraw/zinc/59/73/30/569597330.db2.gz	NTTLFKXSAUPBSW-UHFFFAOYSA-N	0	0	450.863	5.918	40	5		JKBBRN
Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)cc1I	ZINC000057316040	569597514	/nfs/dbraw/zinc/59/75/14/569597514.db2.gz	MNKSMCPSORANNN-UHFFFAOYSA-N	0	0	493.345	5.305	40	5		JKBBRN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc(-c2ccc(Br)cc2)cs1	ZINC000057316216	569597608	/nfs/dbraw/zinc/59/76/08/569597608.db2.gz	OMVKIWFMCLEARF-ZRDIBKRKSA-N	0	0	496.342	6.393	40	5		JKBBRN
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057316214	569597613	/nfs/dbraw/zinc/59/76/13/569597613.db2.gz	PMSOLHJUTLPTST-UHFFFAOYSA-N	0	0	450.863	5.918	40	5		JKBBRN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000059294116	569602474	/nfs/dbraw/zinc/60/24/74/569602474.db2.gz	TZQYIFXFEVCQCF-UHFFFAOYSA-N	0	0	460.880	5.747	40	5		JKBBRN
CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000059428139	569603686	/nfs/dbraw/zinc/60/36/86/569603686.db2.gz	NKBFHQIFXDKILA-UHFFFAOYSA-N	0	0	472.613	6.337	40	5		JKBBRN
CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12	ZINC000059433370	569603764	/nfs/dbraw/zinc/60/37/64/569603764.db2.gz	WWTDWXUBCMMRJT-FGEXJBCWSA-N	0	0	458.901	5.209	40	5		JKBBRN
CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12	ZINC000059433375	569603785	/nfs/dbraw/zinc/60/37/85/569603785.db2.gz	WWTDWXUBCMMRJT-ZQFKLAOWSA-N	0	0	458.901	5.209	40	5		JKBBRN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1	ZINC000059449298	569603962	/nfs/dbraw/zinc/60/39/62/569603962.db2.gz	GKGOCGWECCVESS-UHFFFAOYSA-N	0	0	465.487	5.437	40	5		JKBBRN
O=C(Nc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1)c1ccc([N+](=O)[O-])cc1	ZINC000059461296	569604229	/nfs/dbraw/zinc/60/42/29/569604229.db2.gz	PYSXNIRIFLVSOZ-UHFFFAOYSA-N	0	0	490.393	7.056	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(F)c1	ZINC000059463612	569604349	/nfs/dbraw/zinc/60/43/49/569604349.db2.gz	AJEOOUHLZGEEOK-UHFFFAOYSA-N	0	0	453.882	6.430	40	5		JKBBRN
O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1	ZINC000059474795	569604508	/nfs/dbraw/zinc/60/45/08/569604508.db2.gz	ORKARSCLOPCTIO-JLHYYAGUSA-N	0	0	490.566	5.587	40	5		JKBBRN
COc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1	ZINC000059474802	569604528	/nfs/dbraw/zinc/60/45/28/569604528.db2.gz	LQLFVOKMTKPWRG-UHFFFAOYSA-N	0	0	494.554	5.196	40	5		JKBBRN
O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)Nc1ccc([N+](=O)[O-])cc1	ZINC000059474825	569604564	/nfs/dbraw/zinc/60/45/64/569604564.db2.gz	CUIUYHZVGWUFDW-UHFFFAOYSA-N	0	0	498.973	5.841	40	5		JKBBRN
CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)[C@H]5CCCC[C@@H]5N4)cc3[N+](=O)[O-])sc2c1	ZINC000059488084	569605432	/nfs/dbraw/zinc/60/54/32/569605432.db2.gz	JLCWXXGKLDNDHR-QYWGDWMGSA-N	0	0	484.603	5.031	40	5		JKBBRN
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1	ZINC000033500002	569627097	/nfs/dbraw/zinc/62/70/97/569627097.db2.gz	ZYOUBLJPJAAQTC-UHFFFAOYSA-N	0	0	497.351	6.137	40	5		JKBBRN
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl	ZINC000033571692	569628064	/nfs/dbraw/zinc/62/80/64/569628064.db2.gz	XGIUALYYLZLZDC-GFCCVEGCSA-N	0	0	480.377	5.296	40	5		JKBBRN
CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000033737139	569632872	/nfs/dbraw/zinc/63/28/72/569632872.db2.gz	QXDARKDVEFYVBM-UHFFFAOYSA-N	0	0	483.594	5.256	40	5		JKBBRN
O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000033737391	569632906	/nfs/dbraw/zinc/63/29/06/569632906.db2.gz	DJCJFPWVELNGEU-UHFFFAOYSA-N	0	0	493.928	6.427	40	5		JKBBRN
COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl	ZINC000033795691	569635296	/nfs/dbraw/zinc/63/52/96/569635296.db2.gz	VCGBKPDOIBNASE-FPLPWBNLSA-N	0	0	479.714	6.065	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000033943322	569639302	/nfs/dbraw/zinc/63/93/02/569639302.db2.gz	TXESVRZNOYGDHE-UHFFFAOYSA-N	0	0	457.515	5.153	40	5		JKBBRN
COc1ccc(-c2csc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1Br	ZINC000034967220	569673781	/nfs/dbraw/zinc/67/37/81/569673781.db2.gz	NKLPGCQDAFDGBO-VMPITWQZSA-N	0	0	460.309	5.141	40	5		JKBBRN
CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1	ZINC000035253149	569678874	/nfs/dbraw/zinc/67/88/74/569678874.db2.gz	YLNXOJXOBQDNQB-UHFFFAOYSA-N	0	0	483.484	5.548	40	5		JKBBRN
O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1)c1cccc(Cl)c1	ZINC000035264344	569679030	/nfs/dbraw/zinc/67/90/30/569679030.db2.gz	XYYQLVGCFOIJMD-UHFFFAOYSA-N	0	0	474.698	5.515	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCCC5)c4)CC3)o2)cc1C	ZINC000035343418	569681409	/nfs/dbraw/zinc/68/14/09/569681409.db2.gz	HBBCHBKWAOTKBY-UHFFFAOYSA-N	0	0	488.588	5.424	40	5		JKBBRN
CC(C)(C)OC(=O)N[C@H](Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)OCc1ccccc1	ZINC000067794594	569690881	/nfs/dbraw/zinc/69/08/81/569690881.db2.gz	NIELMORBCUHXFD-AREMUKBSSA-N	0	0	479.576	6.763	40	5		JKBBRN
O=[N+]([O-])c1ccc(/C=C/c2cccc(/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000068563505	569691231	/nfs/dbraw/zinc/69/12/31/569691231.db2.gz	JUZPPVPZHHLCTG-XGXWUAJZSA-N	0	0	462.374	5.660	40	5		JKBBRN
O=[N+]([O-])c1ccc(/C=C/c2ccc(/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000068563476	569691243	/nfs/dbraw/zinc/69/12/43/569691243.db2.gz	CDSARYSJQNNQEW-CGXWXWIYSA-N	0	0	462.374	5.660	40	5		JKBBRN
Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1	ZINC000072229927	569700750	/nfs/dbraw/zinc/70/07/50/569700750.db2.gz	IAQAOZNZGOLMEO-XMMPIXPASA-N	0	0	462.889	6.151	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000072230004	569700753	/nfs/dbraw/zinc/70/07/53/569700753.db2.gz	WZGSSNHIBAHZRR-HSZRJFAPSA-N	0	0	451.910	5.182	40	5		JKBBRN
Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1	ZINC000035851850	569716728	/nfs/dbraw/zinc/71/67/28/569716728.db2.gz	QEKIEKMHKQUNFP-FQJHJXCSSA-N	0	0	499.592	5.030	40	5		JKBBRN
CCN(CC)c1oc2ccc3ccccc3c2c(=O)c1/C=C/c1cccc(OC)c1C(=O)OC	ZINC000100032921	569751618	/nfs/dbraw/zinc/75/16/18/569751618.db2.gz	VVTUPLMRUAQYCL-JQIJEIRASA-N	0	0	457.526	5.758	40	5		JKBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1	ZINC000100170574	569754752	/nfs/dbraw/zinc/75/47/52/569754752.db2.gz	YDAIIMBJYHNCHW-UHFFFAOYSA-N	0	0	477.427	6.471	40	5		JKBBRN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21	ZINC000036319059	569763508	/nfs/dbraw/zinc/76/35/08/569763508.db2.gz	AEMQDLSNILVURF-GFXAMXPBSA-N	0	0	499.592	5.030	40	5		JKBBRN
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000036408649	569775463	/nfs/dbraw/zinc/77/54/63/569775463.db2.gz	HXLDLGPOKADBKW-DXEWXGHRSA-N	0	0	466.793	5.890	40	5		JKBBRN
Brc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)c1	ZINC000100970347	569777940	/nfs/dbraw/zinc/77/79/40/569777940.db2.gz	QTFXFQKGKKVABF-SGEDCAFJSA-N	0	0	466.338	7.124	40	5		JKBBRN
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000036619630	569778644	/nfs/dbraw/zinc/77/86/44/569778644.db2.gz	FZQSDUUYNATYJZ-RUZDIDTESA-N	0	0	482.496	5.220	40	5		JKBBRN
Cc1ccc(-n2c(O)c3c(c2O)[C@H](c2c4ccccc4cc4ccccc42)N(c2ccccc2)O3)cc1	ZINC000101101588	569782834	/nfs/dbraw/zinc/78/28/34/569782834.db2.gz	JPCDTXWJEMQXSW-NGDRWEMDSA-N	0	0	484.555	6.353	40	5		JKBBRN
O=C(Cc1cccc2ccccc21)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000039759909	569811453	/nfs/dbraw/zinc/81/14/53/569811453.db2.gz	PQCBBTXJQUCPLK-UHFFFAOYSA-N	0	0	493.479	5.232	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2cccc3ccccc32)c1	ZINC000039758062	569811466	/nfs/dbraw/zinc/81/14/66/569811466.db2.gz	AUNSTMYZNSEXNL-UHFFFAOYSA-N	0	0	479.452	5.303	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1	ZINC000039757298	569811516	/nfs/dbraw/zinc/81/15/16/569811516.db2.gz	KMNQYGHIYBVVOC-BUHFOSPRSA-N	0	0	471.498	5.018	40	5		JKBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl	ZINC000039768597	569811837	/nfs/dbraw/zinc/81/18/37/569811837.db2.gz	VPNSZHHBOAGAKP-UHFFFAOYSA-N	0	0	498.282	5.456	40	5		JKBBRN
O=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000102422255	569813050	/nfs/dbraw/zinc/81/30/50/569813050.db2.gz	KJCRNMQVFSKGOL-ORIPQNMZSA-N	0	0	475.508	5.865	40	5		JKBBRN
O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1c1ccccc1	ZINC000102723453	569817586	/nfs/dbraw/zinc/81/75/86/569817586.db2.gz	YAGSEIQCOXLKEW-GVAUOCQISA-N	0	0	497.532	5.374	40	5		JKBBRN
Oc1c2c(c(O)n1-c1ccc(F)cc1)[C@H](c1c3ccccc3cc3ccccc31)N(c1ccccc1)O2	ZINC000102753803	569821103	/nfs/dbraw/zinc/82/11/03/569821103.db2.gz	CFQJURVDZRPFOM-ULNSLHSMSA-N	0	0	488.518	6.183	40	5		JKBBRN
O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1Cc1cccc(F)c1	ZINC000040398716	569825991	/nfs/dbraw/zinc/82/59/91/569825991.db2.gz	TYWQDVQFOIDLRT-UHFFFAOYSA-N	0	0	466.299	5.195	40	5		JKBBRN
Cc1nc(NC(=O)C[C@H]2CCCCO2)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000040556491	569830229	/nfs/dbraw/zinc/83/02/29/569830229.db2.gz	FBMINWNHVNKLLJ-OAHLLOKOSA-N	0	0	459.553	5.125	40	5		JKBBRN
CC1(C)[C@]2(c3ccccc3)[C@H]3C[C@H](Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H]3[C@]12c1ccccc1	ZINC000045070208	569839930	/nfs/dbraw/zinc/83/99/30/569839930.db2.gz	PKVJOCRCDBBKCX-PPTYFDBNSA-N	0	0	456.498	5.816	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1	ZINC000106723532	569855106	/nfs/dbraw/zinc/85/51/06/569855106.db2.gz	HUPLJCRGMNYAEV-NVNXTCNLSA-N	0	0	453.701	5.247	40	5		JKBBRN
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000106680326	569854469	/nfs/dbraw/zinc/85/44/69/569854469.db2.gz	AEQSCWCYSYUXMP-UCQKPKSFSA-N	0	0	476.510	5.419	40	5		JKBBRN
COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-]	ZINC000106680571	569854489	/nfs/dbraw/zinc/85/44/89/569854489.db2.gz	GPXVAFRCIDNLLJ-UCQKPKSFSA-N	0	0	476.510	5.419	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F	ZINC000106695860	569854718	/nfs/dbraw/zinc/85/47/18/569854718.db2.gz	MSWFPNQHUZMEPI-XKZIYDEJSA-N	0	0	464.474	5.549	40	5		JKBBRN
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl	ZINC000106698969	569854755	/nfs/dbraw/zinc/85/47/55/569854755.db2.gz	DFHFCAGAIDMLDA-ODLFYWEKSA-N	0	0	474.325	5.929	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C\c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C2=O)cc1	ZINC000106702640	569854850	/nfs/dbraw/zinc/85/48/50/569854850.db2.gz	OSVBTCOALUHDIJ-QFEZKATASA-N	0	0	483.549	6.143	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000106703638	569854853	/nfs/dbraw/zinc/85/48/53/569854853.db2.gz	LNRRALZLUQYFCI-XKZIYDEJSA-N	0	0	496.997	6.944	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1	ZINC000106702530	569854866	/nfs/dbraw/zinc/85/48/66/569854866.db2.gz	PYVDXJFMRLZFDA-QFEZKATASA-N	0	0	483.549	6.143	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106727192	569855161	/nfs/dbraw/zinc/85/51/61/569855161.db2.gz	GFDFWKSQPVTHOR-XKZIYDEJSA-N	0	0	464.474	5.549	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Br)cc1	ZINC000106724881	569855179	/nfs/dbraw/zinc/85/51/79/569855179.db2.gz	HHDIMQSSLDOIAB-ODLFYWEKSA-N	0	0	485.315	5.854	40	5		JKBBRN
CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br	ZINC000106728068	569855212	/nfs/dbraw/zinc/85/52/12/569855212.db2.gz	BPZMAJVOOHNWSC-WQRHYEAKSA-N	0	0	477.336	5.383	40	5		JKBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1Br	ZINC000106730709	569855223	/nfs/dbraw/zinc/85/52/23/569855223.db2.gz	NIFLNPOBNDKPGD-UUASQNMZSA-N	0	0	488.146	5.901	40	5		JKBBRN
O=C1S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106728431	569855239	/nfs/dbraw/zinc/85/52/39/569855239.db2.gz	OPUPTYBQDAPKHC-QQXSKIMKSA-N	0	0	496.544	6.564	40	5		JKBBRN
O=C1S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106738920	569855328	/nfs/dbraw/zinc/85/53/28/569855328.db2.gz	KLTAAXVKMZJGFV-XYGWBWBKSA-N	0	0	499.548	5.865	40	5		JKBBRN
O=C1S/C(=C\c2ccccc2OCc2cccc3ccccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106745909	569855414	/nfs/dbraw/zinc/85/54/14/569855414.db2.gz	KAZHJFTXIOMOEA-QQXSKIMKSA-N	0	0	496.544	6.564	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1	ZINC000107558686	569856521	/nfs/dbraw/zinc/85/65/21/569856521.db2.gz	QLCRDUAJEIWOJT-UHFFFAOYSA-N	0	0	497.360	5.335	40	5		JKBBRN
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1	ZINC000107652752	569856932	/nfs/dbraw/zinc/85/69/32/569856932.db2.gz	NVXKSHNAJMMBEQ-LBPRGKRZSA-N	0	0	480.377	5.296	40	5		JKBBRN
Cc1c(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cccc1[N+](=O)[O-]	ZINC000107849144	569857650	/nfs/dbraw/zinc/85/76/50/569857650.db2.gz	MUSNJJYVUUYRCI-UHFFFAOYSA-N	0	0	493.928	5.457	40	5		JKBBRN
O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000107896782	569857863	/nfs/dbraw/zinc/85/78/63/569857863.db2.gz	LJJSCISKBQOLLH-UHFFFAOYSA-N	0	0	470.721	5.942	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl	ZINC000108252654	569859256	/nfs/dbraw/zinc/85/92/56/569859256.db2.gz	XEYGSWJYKUACJZ-UHFFFAOYSA-N	0	0	456.332	5.252	40	5		JKBBRN
O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1	ZINC000113928927	569862316	/nfs/dbraw/zinc/86/23/16/569862316.db2.gz	MVLNLIIZKQRFLL-HHHXNRCGSA-N	0	0	494.507	5.864	40	5		JKBBRN
C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]3(C)[C@H]1CC2	ZINC000118925230	569863729	/nfs/dbraw/zinc/86/37/29/569863729.db2.gz	GILPMOAHSFSFMF-QNLPAZNUSA-N	0	0	468.550	6.381	40	5		JKBBRN
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](Cl)([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118933450	569864042	/nfs/dbraw/zinc/86/40/42/569864042.db2.gz	VPFGMEFQGQTRJH-RJVRFGKZSA-N	0	0	452.123	8.320	40	5		JKBBRN
O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000138839471	569866508	/nfs/dbraw/zinc/86/65/08/569866508.db2.gz	UHPPXIHCOSIWHP-SSVHHLKVSA-N	0	0	482.923	5.672	40	5		JKBBRN
O=C(Nc1ccc(C(=O)N2[C@H](c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000139074547	569866991	/nfs/dbraw/zinc/86/69/91/569866991.db2.gz	YPDYVWCGSRFDAD-FKCWEYQYSA-N	0	0	491.503	5.296	40	5		JKBBRN
C[C@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000195529332	569873490	/nfs/dbraw/zinc/87/34/90/569873490.db2.gz	MFWWICBCDMOQEH-VLMPBXDWSA-N	0	0	480.590	5.421	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000205698434	569874198	/nfs/dbraw/zinc/87/41/98/569874198.db2.gz	HROGVSFKCFGXPM-VXLYETTFSA-N	0	0	485.861	5.653	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000205698171	569874201	/nfs/dbraw/zinc/87/42/01/569874201.db2.gz	OHDIMUDNTNPKBV-YBFXNURJSA-N	0	0	485.315	5.854	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc2ccccc21	ZINC000209535736	569875970	/nfs/dbraw/zinc/87/59/70/569875970.db2.gz	IPCZAAZVXQADKR-YDZHTSKRSA-N	0	0	490.924	6.898	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc(F)cc1	ZINC000210810375	569876062	/nfs/dbraw/zinc/87/60/62/569876062.db2.gz	COGCBMSHXMKFRA-OEAKJJBVSA-N	0	0	456.498	5.807	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000214045592	569876230	/nfs/dbraw/zinc/87/62/30/569876230.db2.gz	VSLVQTBOBMEQBG-BUVRLJJBSA-N	0	0	490.537	5.809	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000214039038	569876264	/nfs/dbraw/zinc/87/62/64/569876264.db2.gz	ZBYPXVDWXOJLSC-OEAKJJBVSA-N	0	0	476.510	5.419	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)o1	ZINC000214080975	569876275	/nfs/dbraw/zinc/87/62/75/569876275.db2.gz	VWEPOFANADRJIN-RGVLZGJSSA-N	0	0	470.890	5.753	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000214055659	569876285	/nfs/dbraw/zinc/87/62/85/569876285.db2.gz	IVIUYVAKNOLHDT-YDZHTSKRSA-N	0	0	476.510	5.419	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1Cl	ZINC000214077229	569876300	/nfs/dbraw/zinc/87/63/00/569876300.db2.gz	CDRGUUZWPDJDRN-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000214138109	569876391	/nfs/dbraw/zinc/87/63/91/569876391.db2.gz	ZHMZWQGVRUTQKI-RGVLZGJSSA-N	0	0	454.891	6.053	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000214202419	569876427	/nfs/dbraw/zinc/87/64/27/569876427.db2.gz	YEJNHYGEUSHNCS-FSJBWODESA-N	0	0	494.500	5.558	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1	ZINC000214228039	569876450	/nfs/dbraw/zinc/87/64/50/569876450.db2.gz	UNJBZNRRXCSVKT-SRZZPIQSSA-N	0	0	495.444	5.671	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1Cl	ZINC000214386431	569876619	/nfs/dbraw/zinc/87/66/19/569876619.db2.gz	LZKLZAKOIXXTDR-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl	ZINC000214426805	569876664	/nfs/dbraw/zinc/87/66/64/569876664.db2.gz	CNBXJTMSFCVXMQ-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(C)cc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000214474045	569876713	/nfs/dbraw/zinc/87/67/13/569876713.db2.gz	LTAWZIADALOXLG-CIAFOILYSA-N	0	0	450.472	5.408	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1	ZINC000214606339	569876752	/nfs/dbraw/zinc/87/67/52/569876752.db2.gz	FVPYIZFXPKHRCC-WSDLNYQXSA-N	0	0	491.481	5.840	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000214613606	569876763	/nfs/dbraw/zinc/87/67/63/569876763.db2.gz	SCRXKYNNNMCLBT-CIAFOILYSA-N	0	0	477.498	5.336	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1	ZINC000214626546	569876794	/nfs/dbraw/zinc/87/67/94/569876794.db2.gz	UVBLZFXIVXZGIY-RGVLZGJSSA-N	0	0	454.891	6.053	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1	ZINC000214615765	569876806	/nfs/dbraw/zinc/87/68/06/569876806.db2.gz	ZTODPVXPPYQQCZ-RGVLZGJSSA-N	0	0	454.891	6.053	40	5		JKBBRN
Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1	ZINC000214638301	569876811	/nfs/dbraw/zinc/87/68/11/569876811.db2.gz	FNTLKRIJFDSWNW-OEAKJJBVSA-N	0	0	460.511	5.719	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1c(Cl)cccc1Cl	ZINC000214718281	569876938	/nfs/dbraw/zinc/87/69/38/569876938.db2.gz	UMGDQYOFJNKATF-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214894838	569877004	/nfs/dbraw/zinc/87/70/04/569877004.db2.gz	PGJMUQWHHFOTSV-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000214880837	569877044	/nfs/dbraw/zinc/87/70/44/569877044.db2.gz	ALSGKFFGBWLGKA-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccccc1Br	ZINC000214977757	569877067	/nfs/dbraw/zinc/87/70/67/569877067.db2.gz	SOPXXXLWFDOTHD-OEAKJJBVSA-N	0	0	474.379	6.992	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000215003116	569877104	/nfs/dbraw/zinc/87/71/04/569877104.db2.gz	KGYDKCUOKIIURR-VXLYETTFSA-N	0	0	475.309	6.398	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCC	ZINC000214988712	569877118	/nfs/dbraw/zinc/87/71/18/569877118.db2.gz	VEOLUISCDJLSFS-WOJGMQOQSA-N	0	0	462.911	5.282	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1Cl	ZINC000215104262	569877192	/nfs/dbraw/zinc/87/71/92/569877192.db2.gz	LFMZJJYBRLEOPN-VXLYETTFSA-N	0	0	458.854	5.884	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1	ZINC000215143529	569877206	/nfs/dbraw/zinc/87/72/06/569877206.db2.gz	GQAVVUFUSIZHJQ-KEBDBYFISA-N	0	0	472.881	6.192	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2	ZINC000215270528	569877303	/nfs/dbraw/zinc/87/73/03/569877303.db2.gz	BHKNXIGCSBAQBE-DNTJNYDQSA-N	0	0	484.873	5.473	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)c([N+](=O)[O-])c1	ZINC000215274895	569877323	/nfs/dbraw/zinc/87/73/23/569877323.db2.gz	ZKRZZDKSZPBZOZ-KEBDBYFISA-N	0	0	472.881	6.192	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1[N+](=O)[O-]	ZINC000215276520	569877329	/nfs/dbraw/zinc/87/73/29/569877329.db2.gz	KIMUJMQPLSUJRQ-KEBDBYFISA-N	0	0	472.881	6.192	40	5		JKBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1	ZINC000222212902	569883896	/nfs/dbraw/zinc/88/38/96/569883896.db2.gz	UONBRFZFOXFKSP-UHFFFAOYSA-N	0	0	456.414	5.161	40	5		JKBBRN
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21	ZINC000222716374	569889405	/nfs/dbraw/zinc/88/94/05/569889405.db2.gz	GIUAJPMCSYTDJS-GAQQMNMRSA-N	0	0	450.520	5.238	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1	ZINC000223118981	569899958	/nfs/dbraw/zinc/89/99/58/569899958.db2.gz	VTVCNVXSPCEKSZ-RPWUZVMVSA-N	0	0	478.574	5.564	40	5		JKBBRN
COc1ccc(-c2nnc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)s2)cc1	ZINC000223241908	569904673	/nfs/dbraw/zinc/90/46/73/569904673.db2.gz	JIKPCHUMKOHVSV-RCCKNPSSSA-N	0	0	458.499	5.301	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223437351	569911399	/nfs/dbraw/zinc/91/13/99/569911399.db2.gz	DXFCVCLAKMRJCX-RPBOFIJWSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223446269	569911664	/nfs/dbraw/zinc/91/16/64/569911664.db2.gz	FNQASHCNXUWEIF-LOSJGSFVSA-N	0	0	486.553	5.431	40	5		JKBBRN
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223782852	569923203	/nfs/dbraw/zinc/92/32/03/569923203.db2.gz	OPUCXQPATCPDGN-BJKOFHAPSA-N	0	0	472.526	5.436	40	5		JKBBRN
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223833017	569924668	/nfs/dbraw/zinc/92/46/68/569924668.db2.gz	ZNXIFLSHPMDYAI-DQEYMECFSA-N	0	0	486.553	5.826	40	5		JKBBRN
CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000223858243	569925356	/nfs/dbraw/zinc/92/53/56/569925356.db2.gz	PJJSSIAGBRAQDK-FQEVSTJZSA-N	0	0	480.392	5.168	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1	ZINC000223880827	569926088	/nfs/dbraw/zinc/92/60/88/569926088.db2.gz	VQCYRGUTTFWNHL-DHIUTWEWSA-N	0	0	458.499	5.133	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1	ZINC000223881067	569926098	/nfs/dbraw/zinc/92/60/98/569926098.db2.gz	XLPRHRMBLZTBNF-DHIUTWEWSA-N	0	0	458.499	5.133	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000223911478	569927024	/nfs/dbraw/zinc/92/70/24/569927024.db2.gz	NJRJIWMBYGOTBH-JWQCQUIFSA-N	0	0	485.569	5.493	40	5		JKBBRN
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000223918461	569927226	/nfs/dbraw/zinc/92/72/26/569927226.db2.gz	JKNXNTMNWYRXGA-RPBOFIJWSA-N	0	0	485.569	5.493	40	5		JKBBRN
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000223997834	569929856	/nfs/dbraw/zinc/92/98/56/569929856.db2.gz	DZWXDGJSYPPNNT-RPBOFIJWSA-N	0	0	499.552	5.385	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1	ZINC000224037260	569931453	/nfs/dbraw/zinc/93/14/53/569931453.db2.gz	QTALHFGZEVBEKP-ZEQRLZLVSA-N	0	0	486.509	5.156	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000224215517	569936780	/nfs/dbraw/zinc/93/67/80/569936780.db2.gz	ZVFUAJNQHHVJDY-RPWUZVMVSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224222010	569937024	/nfs/dbraw/zinc/93/70/24/569937024.db2.gz	QMPFXEPEFLZJHZ-ZEQRLZLVSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1	ZINC000224245318	569937899	/nfs/dbraw/zinc/93/78/99/569937899.db2.gz	RYOXJGODGZGYHI-ZEQRLZLVSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000224245558	569937973	/nfs/dbraw/zinc/93/79/73/569937973.db2.gz	WSKOYAHHEPGMJD-RPWUZVMVSA-N	0	0	455.543	5.266	40	5		JKBBRN
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224254744	569938225	/nfs/dbraw/zinc/93/82/25/569938225.db2.gz	FPBYXGRFAZPVDA-ZEQRLZLVSA-N	0	0	456.527	5.735	40	5		JKBBRN
Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1	ZINC000224260976	569938451	/nfs/dbraw/zinc/93/84/51/569938451.db2.gz	OOFSWQCQPOVUFN-SANMLTNESA-N	0	0	487.600	5.001	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C	ZINC000224280855	569939145	/nfs/dbraw/zinc/93/91/45/569939145.db2.gz	JTNGBWNXIIYFGK-RPBOFIJWSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C	ZINC000224287334	569939426	/nfs/dbraw/zinc/93/94/26/569939426.db2.gz	CMSHGVYFKWFLKV-DQEYMECFSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000224313373	569940118	/nfs/dbraw/zinc/94/01/18/569940118.db2.gz	ZXIFVDIUMLWPBV-RPBOFIJWSA-N	0	0	469.570	5.574	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000224322346	569940503	/nfs/dbraw/zinc/94/05/03/569940503.db2.gz	ZBKDHPOZKUOPTF-LOSJGSFVSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224322159	569940529	/nfs/dbraw/zinc/94/05/29/569940529.db2.gz	JLGWIBLGYKILSP-LOSJGSFVSA-N	0	0	470.554	6.044	40	5		JKBBRN
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224322077	569940533	/nfs/dbraw/zinc/94/05/33/569940533.db2.gz	JLGWIBLGYKILSP-DQEYMECFSA-N	0	0	470.554	6.044	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224345937	569941376	/nfs/dbraw/zinc/94/13/76/569941376.db2.gz	VEWFVZBNHQEIMK-LOSJGSFVSA-N	0	0	469.570	5.520	40	5		JKBBRN
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000224354858	569941704	/nfs/dbraw/zinc/94/17/04/569941704.db2.gz	ZNRRVLOPLLMZQZ-LOSJGSFVSA-N	0	0	470.554	5.989	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000224377903	569942508	/nfs/dbraw/zinc/94/25/08/569942508.db2.gz	DLCMXWGCJHAYBT-UIOOFZCWSA-N	0	0	483.597	6.081	40	5		JKBBRN
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000224386822	569942899	/nfs/dbraw/zinc/94/28/99/569942899.db2.gz	CPBDHFXDHFVSQH-IZZNHLLZSA-N	0	0	484.581	6.550	40	5		JKBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1	ZINC000224409748	569943764	/nfs/dbraw/zinc/94/37/64/569943764.db2.gz	NWJABVQZOFLTJB-PKTZIBPZSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224411940	569943808	/nfs/dbraw/zinc/94/38/08/569943808.db2.gz	XJNYBLAIYLFYDM-DHIUTWEWSA-N	0	0	460.490	5.566	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224415181	569943883	/nfs/dbraw/zinc/94/38/83/569943883.db2.gz	JLWJLQNXIDPMMG-RPWUZVMVSA-N	0	0	490.516	5.575	40	5		JKBBRN
O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1	ZINC000224418545	569943998	/nfs/dbraw/zinc/94/39/98/569943998.db2.gz	CRLFMSXUHQVQOU-XZOQPEGZSA-N	0	0	460.490	5.566	40	5		JKBBRN
CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224440143	569944652	/nfs/dbraw/zinc/94/46/52/569944652.db2.gz	GZGWJCKGVSJHEW-FQEVSTJZSA-N	0	0	498.432	5.078	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1	ZINC000224442860	569944693	/nfs/dbraw/zinc/94/46/93/569944693.db2.gz	WKBCHQSYNMXXBG-XZOQPEGZSA-N	0	0	459.506	5.097	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1	ZINC000224442830	569944698	/nfs/dbraw/zinc/94/46/98/569944698.db2.gz	WKBCHQSYNMXXBG-PKTZIBPZSA-N	0	0	459.506	5.097	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224448751	569944821	/nfs/dbraw/zinc/94/48/21/569944821.db2.gz	PWZJZUQEHYEZHG-ZEQRLZLVSA-N	0	0	490.516	5.575	40	5		JKBBRN
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1	ZINC000224474444	569945521	/nfs/dbraw/zinc/94/55/21/569945521.db2.gz	CBHWADYYDBILOF-DHIUTWEWSA-N	0	0	475.961	5.611	40	5		JKBBRN
CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224479563	569945797	/nfs/dbraw/zinc/94/57/97/569945797.db2.gz	XNSGEZIKGYPCIL-FQEVSTJZSA-N	0	0	498.432	5.078	40	5		JKBBRN
CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000224479512	569945801	/nfs/dbraw/zinc/94/58/01/569945801.db2.gz	XNSGEZIKGYPCIL-HXUWFJFHSA-N	0	0	498.432	5.078	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(Cl)c(C)c1	ZINC000224548676	569947993	/nfs/dbraw/zinc/94/79/93/569947993.db2.gz	WZPKAARXEQJTRE-UHFFFAOYSA-N	0	0	454.910	6.095	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224552442	569948173	/nfs/dbraw/zinc/94/81/73/569948173.db2.gz	ILJUWMAOWNVLKS-RPWUZVMVSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000224552400	569948176	/nfs/dbraw/zinc/94/81/76/569948176.db2.gz	ILJUWMAOWNVLKS-ZEQRLZLVSA-N	0	0	472.526	5.436	40	5		JKBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(-c2ccccc2)cc1	ZINC000224557251	569948310	/nfs/dbraw/zinc/94/83/10/569948310.db2.gz	FBPDNELLTCVMQM-UHFFFAOYSA-N	0	0	468.509	6.492	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000224581010	569949388	/nfs/dbraw/zinc/94/93/88/569949388.db2.gz	ARGKCSMDZUYZMR-ZEQRLZLVSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000224581154	569949442	/nfs/dbraw/zinc/94/94/42/569949442.db2.gz	ARGKCSMDZUYZMR-DNQXCXABSA-N	0	0	472.526	5.436	40	5		JKBBRN
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000224588868	569949699	/nfs/dbraw/zinc/94/96/99/569949699.db2.gz	IRWYYUFEHGJYJV-ZEQRLZLVSA-N	0	0	472.526	5.436	40	5		JKBBRN
O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224616885	569950974	/nfs/dbraw/zinc/95/09/74/569950974.db2.gz	CDDBMLILDHTNSJ-PKTZIBPZSA-N	0	0	458.499	5.133	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224620323	569951064	/nfs/dbraw/zinc/95/10/64/569951064.db2.gz	JCAIRPQIFBVVFP-DNQXCXABSA-N	0	0	488.525	5.141	40	5		JKBBRN
Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCCC2)c1	ZINC000224706569	569954384	/nfs/dbraw/zinc/95/43/84/569954384.db2.gz	NQYKXDNBBUMEGU-FQEVSTJZSA-N	0	0	483.634	5.003	40	5		JKBBRN
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1	ZINC000224760494	569956490	/nfs/dbraw/zinc/95/64/90/569956490.db2.gz	FFSJDUMJACTHHH-ZEQRLZLVSA-N	0	0	488.594	6.220	40	5		JKBBRN
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc[nH]3)cc2)cc1	ZINC000224761750	569956522	/nfs/dbraw/zinc/95/65/22/569956522.db2.gz	LHQTXIFVRSNUAU-GOTSBHOMSA-N	0	0	473.583	5.646	40	5		JKBBRN
Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000224779955	569957275	/nfs/dbraw/zinc/95/72/75/569957275.db2.gz	YDTBNWQNCIHLDZ-DNQXCXABSA-N	0	0	487.610	5.657	40	5		JKBBRN
Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000224779997	569957297	/nfs/dbraw/zinc/95/72/97/569957297.db2.gz	YDTBNWQNCIHLDZ-RPWUZVMVSA-N	0	0	487.610	5.657	40	5		JKBBRN
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1	ZINC000224791066	569957722	/nfs/dbraw/zinc/95/77/22/569957722.db2.gz	KQLXEOUBZBHWKL-BJKOFHAPSA-N	0	0	487.610	5.955	40	5		JKBBRN
Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000224790262	569957750	/nfs/dbraw/zinc/95/77/50/569957750.db2.gz	PNZXEEQEETUBCA-BJKOFHAPSA-N	0	0	487.610	5.657	40	5		JKBBRN
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1	ZINC000224790979	569957766	/nfs/dbraw/zinc/95/77/66/569957766.db2.gz	KQLXEOUBZBHWKL-DNQXCXABSA-N	0	0	487.610	5.955	40	5		JKBBRN
COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c(OC)c1	ZINC000224937736	569964130	/nfs/dbraw/zinc/96/41/30/569964130.db2.gz	BMTXKDIQNTWSGT-UHFFFAOYSA-N	0	0	459.458	5.495	40	5		JKBBRN
Cc1cccc(C)c1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1-c1ccccc1	ZINC000408593609	569964979	/nfs/dbraw/zinc/96/49/79/569964979.db2.gz	CAJVDXVCPQXITA-UHFFFAOYSA-N	0	0	474.542	5.346	40	5		JKBBRN
CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000408603242	569969874	/nfs/dbraw/zinc/96/98/74/569969874.db2.gz	FGXJKTWTYAKUNM-OAQYLSRUSA-N	0	0	483.933	5.001	40	5		JKBBRN
Cc1ccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Cl)cc1Cl	ZINC000408604079	569970269	/nfs/dbraw/zinc/97/02/69/569970269.db2.gz	DHKDZIRBIGFPRD-UHFFFAOYSA-N	0	0	460.317	5.840	40	5		JKBBRN
COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc2ccccc2c1	ZINC000408604407	569970313	/nfs/dbraw/zinc/97/03/13/569970313.db2.gz	ISRRPJFMDGVFGA-XYOKQWHBSA-N	0	0	459.458	5.241	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000408604916	569970602	/nfs/dbraw/zinc/97/06/02/569970602.db2.gz	FVFFTMJXQPJRIM-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
Cc1cccc(NC(=O)COc2ccc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)c1	ZINC000408606489	569971259	/nfs/dbraw/zinc/97/12/59/569971259.db2.gz	ICHSQDFIHIAGKK-UHFFFAOYSA-N	0	0	470.323	5.295	40	5		JKBBRN
COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	ZINC000408608960	569971975	/nfs/dbraw/zinc/97/19/75/569971975.db2.gz	XVPYSUHJNNAJNM-XBXARRHUSA-N	0	0	478.288	5.395	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(F)c(Cl)c2)cc1	ZINC000408609119	569972020	/nfs/dbraw/zinc/97/20/20/569972020.db2.gz	OCWQZITVVUNYHR-UHFFFAOYSA-N	0	0	465.706	6.341	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000408608922	569972024	/nfs/dbraw/zinc/97/20/24/569972024.db2.gz	MYGCCMUEPKVGEX-UHFFFAOYSA-N	0	0	469.925	5.585	40	5		JKBBRN
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1OC(F)F	ZINC000408609303	569972083	/nfs/dbraw/zinc/97/20/83/569972083.db2.gz	ZFUWUHPTRYXSDS-PKNBQFBNSA-N	0	0	489.431	5.079	40	5		JKBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	ZINC000408610640	569972464	/nfs/dbraw/zinc/97/24/64/569972464.db2.gz	QVBKUTBKIOUXCF-UHFFFAOYSA-N	0	0	455.898	5.277	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1	ZINC000225061251	569972622	/nfs/dbraw/zinc/97/26/22/569972622.db2.gz	KEOPTCXEUACTSF-UIOOFZCWSA-N	0	0	499.596	5.725	40	5		JKBBRN
O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1	ZINC000225061176	569972640	/nfs/dbraw/zinc/97/26/40/569972640.db2.gz	KEOPTCXEUACTSF-FTJBHMTQSA-N	0	0	499.596	5.725	40	5		JKBBRN
COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(F)c1	ZINC000408611554	569972842	/nfs/dbraw/zinc/97/28/42/569972842.db2.gz	SZYBVXHYMPRPPL-UHFFFAOYSA-N	0	0	461.287	5.696	40	5		JKBBRN
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225068722	569973242	/nfs/dbraw/zinc/97/32/42/569973242.db2.gz	DRJBRIUMWLZUIA-VWLOTQADSA-N	0	0	497.661	5.393	40	5		JKBBRN
CC(C)c1cc(Br)ccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000408617543	569976292	/nfs/dbraw/zinc/97/62/92/569976292.db2.gz	COQFKKUYKLVWPL-UHFFFAOYSA-N	0	0	463.715	6.646	40	5		JKBBRN
O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000408624094	569979586	/nfs/dbraw/zinc/97/95/86/569979586.db2.gz	UJEFUBKJAYOVFH-UHFFFAOYSA-N	0	0	456.079	6.176	40	5		JKBBRN
O=C(OCC(=O)c1ccc(Br)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000408624944	569979935	/nfs/dbraw/zinc/97/99/35/569979935.db2.gz	WDMHLTPFKQDPHF-UHFFFAOYSA-N	0	0	464.655	5.310	40	5		JKBBRN
COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	ZINC000408625565	569980298	/nfs/dbraw/zinc/98/02/98/569980298.db2.gz	XLEAVXLSDTYASS-UHFFFAOYSA-N	0	0	471.307	5.506	40	5		JKBBRN
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225290973	569988596	/nfs/dbraw/zinc/98/85/96/569988596.db2.gz	WAXCCNJWVDDGEC-MHZLTWQESA-N	0	0	487.600	5.002	40	5		JKBBRN
Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1	ZINC000408644089	569990593	/nfs/dbraw/zinc/99/05/93/569990593.db2.gz	DOISHUOMMHUQPC-UHFFFAOYSA-N	0	0	455.470	5.222	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O	ZINC000408646027	569991657	/nfs/dbraw/zinc/99/16/57/569991657.db2.gz	VJAJXSKYXSUIRP-SFHVURJKSA-N	0	0	475.501	5.004	40	5		JKBBRN
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225344041	569991812	/nfs/dbraw/zinc/99/18/12/569991812.db2.gz	RNQSOGQZPBVNGG-HHHXNRCGSA-N	0	0	487.600	5.002	40	5		JKBBRN
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000225344066	569991826	/nfs/dbraw/zinc/99/18/26/569991826.db2.gz	RNQSOGQZPBVNGG-MHZLTWQESA-N	0	0	487.600	5.002	40	5		JKBBRN
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-]	ZINC000408652921	569995210	/nfs/dbraw/zinc/99/52/10/569995210.db2.gz	IOKXMYPOVVZCSB-SKGAXEKPSA-N	0	0	479.319	5.001	40	5		JKBBRN
C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1	ZINC000408658925	569999321	/nfs/dbraw/zinc/99/93/21/569999321.db2.gz	VGNCVYFHMOGWCZ-JXFKEZNVSA-N	0	0	492.915	5.083	40	5		JKBBRN
COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl	ZINC000225508550	570001018	/nfs/dbraw/zinc/00/10/18/570001018.db2.gz	MQAVNEMIAIRVFT-UHFFFAOYSA-N	0	0	460.958	5.893	40	5		JKBBRN
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000408663978	570002732	/nfs/dbraw/zinc/00/27/32/570002732.db2.gz	IICAVMFXQVATMD-MONBJTKQSA-N	0	0	482.533	5.008	40	5		JKBBRN
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000225588305	570007994	/nfs/dbraw/zinc/00/79/94/570007994.db2.gz	RCRKJJIJMDNVNW-JTSKRJEESA-N	0	0	492.041	5.204	40	5		JKBBRN
CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@H]2C1	ZINC000408675477	570010237	/nfs/dbraw/zinc/01/02/37/570010237.db2.gz	AWGNSTPVQPUERU-RPBOFIJWSA-N	0	0	481.508	5.360	40	5		JKBBRN
Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1	ZINC000408682172	570012797	/nfs/dbraw/zinc/01/27/97/570012797.db2.gz	JCJQYAQFFYEJTB-JOCHJYFZSA-N	0	0	488.359	5.454	40	5		JKBBRN
Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Br)cc2)cc1	ZINC000408695265	570017696	/nfs/dbraw/zinc/01/76/96/570017696.db2.gz	OZLYMHZLKJAZPE-UHFFFAOYSA-N	0	0	478.306	5.166	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)n1	ZINC000408695313	570017718	/nfs/dbraw/zinc/01/77/18/570017718.db2.gz	PUCRDHRGSARNME-UHFFFAOYSA-N	0	0	498.724	5.511	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1	ZINC000408696327	570018544	/nfs/dbraw/zinc/01/85/44/570018544.db2.gz	ZTGIDGCZFHYORO-UHFFFAOYSA-N	0	0	454.273	5.402	40	5		JKBBRN
CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OCC(C)C	ZINC000225757294	570020457	/nfs/dbraw/zinc/02/04/57/570020457.db2.gz	ODQYXCAKPAIZBQ-UHFFFAOYSA-N	0	0	468.550	5.647	40	5		JKBBRN
Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1C	ZINC000225885880	570026335	/nfs/dbraw/zinc/02/63/35/570026335.db2.gz	XJUPGOPQFSBWJU-BFHHXVSESA-N	0	0	476.532	5.635	40	5		JKBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2c1	ZINC000408729191	570028700	/nfs/dbraw/zinc/02/87/00/570028700.db2.gz	AIJZRGFOUCLSCK-UHFFFAOYSA-N	0	0	456.414	5.161	40	5		JKBBRN
CCCc1ccc(-c2cc(=S=NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ss2)cc1	ZINC000408731680	570029329	/nfs/dbraw/zinc/02/93/29/570029329.db2.gz	OVYLRMRJBAWTEA-UHFFFAOYSA-N	0	0	452.604	5.524	40	5		JKBBRN
O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CSCN1C(=O)OCc1ccccc1	ZINC000408738873	570031330	/nfs/dbraw/zinc/03/13/30/570031330.db2.gz	WOLUHMRIKLAQTO-QFIPXVFZSA-N	0	0	495.582	5.396	40	5		JKBBRN
COc1ccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1	ZINC000408748713	570033312	/nfs/dbraw/zinc/03/33/12/570033312.db2.gz	BURKBMGBULUWEN-UHFFFAOYSA-N	0	0	477.523	5.306	40	5		JKBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000408749844	570033767	/nfs/dbraw/zinc/03/37/67/570033767.db2.gz	JLKSTEFHPGWGJW-UHFFFAOYSA-N	0	0	492.494	5.206	40	5		JKBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1	ZINC000408750353	570033924	/nfs/dbraw/zinc/03/39/24/570033924.db2.gz	LSSVLGHLTMHXBJ-UHFFFAOYSA-N	0	0	465.487	5.437	40	5		JKBBRN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000408750344	570033926	/nfs/dbraw/zinc/03/39/26/570033926.db2.gz	LQXJJBRSDFPBTN-UHFFFAOYSA-N	0	0	492.494	5.206	40	5		JKBBRN
Cc1ccc(C(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1	ZINC000408750499	570033998	/nfs/dbraw/zinc/03/39/98/570033998.db2.gz	NWZXGWXXUWCSLN-UHFFFAOYSA-N	0	0	489.534	5.289	40	5		JKBBRN
O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc2ccccc2c1	ZINC000408755069	570035304	/nfs/dbraw/zinc/03/53/04/570035304.db2.gz	BLABKDYJIADVJI-UHFFFAOYSA-N	0	0	493.906	7.099	40	5		JKBBRN
CCCCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)c(C)c2)C1=O	ZINC000408755261	570035358	/nfs/dbraw/zinc/03/53/58/570035358.db2.gz	CHTZXXDEHBEHLC-UHFFFAOYSA-N	0	0	467.319	5.882	40	5		JKBBRN
COc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000408755874	570035399	/nfs/dbraw/zinc/03/53/99/570035399.db2.gz	GEIRFBCMXGDDCF-UHFFFAOYSA-N	0	0	473.872	5.954	40	5		JKBBRN
CCOc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408755826	570035445	/nfs/dbraw/zinc/03/54/45/570035445.db2.gz	GARRMFQUGWDFEX-UHFFFAOYSA-N	0	0	487.899	6.344	40	5		JKBBRN
Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccccc1)C3=O	ZINC000408756758	570035662	/nfs/dbraw/zinc/03/56/62/570035662.db2.gz	JIMLJCPEQXHSBD-UHFFFAOYSA-N	0	0	487.309	6.287	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc21	ZINC000408757274	570035802	/nfs/dbraw/zinc/03/58/02/570035802.db2.gz	LNHSMFDEYOBTDC-UHFFFAOYSA-N	0	0	493.906	7.099	40	5		JKBBRN
COc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c32)C1=O	ZINC000408757747	570035931	/nfs/dbraw/zinc/03/59/31/570035931.db2.gz	QIPKLIAMKFAEKG-UHFFFAOYSA-N	0	0	473.872	5.954	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1	ZINC000408757753	570035940	/nfs/dbraw/zinc/03/59/40/570035940.db2.gz	QNPMVSKVIAPSGU-UHFFFAOYSA-N	0	0	488.297	6.055	40	5		JKBBRN
COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc21	ZINC000226767644	570038421	/nfs/dbraw/zinc/03/84/21/570038421.db2.gz	ZLPSEZUDGKGXGZ-UHFFFAOYSA-N	0	0	483.274	5.356	40	5		JKBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)S2)cc1	ZINC000408769144	570038553	/nfs/dbraw/zinc/03/85/53/570038553.db2.gz	OVDXOXGOLDQOGN-LWUPDDLQSA-N	0	0	461.543	5.336	40	5		JKBBRN
Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1	ZINC000408800682	570045547	/nfs/dbraw/zinc/04/55/47/570045547.db2.gz	OKWXCTNBBCATQK-UHFFFAOYSA-N	0	0	480.953	5.899	40	5		JKBBRN
Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1	ZINC000408801169	570045570	/nfs/dbraw/zinc/04/55/70/570045570.db2.gz	RXPJZQWPNJHZKF-UHFFFAOYSA-N	0	0	475.333	6.233	40	5		JKBBRN
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1Nc1ccccc1	ZINC000408801654	570045851	/nfs/dbraw/zinc/04/58/51/570045851.db2.gz	WRFQPQSYHMTHNS-IVTWHQKDSA-N	0	0	488.589	6.909	40	5		JKBBRN
O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000408806281	570047536	/nfs/dbraw/zinc/04/75/36/570047536.db2.gz	AYPJNRKQWOCESC-UHFFFAOYSA-N	0	0	489.302	5.519	40	5		JKBBRN
Cc1c(/C=C2\SC(Nc3ccccc3F)NC2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000408808195	570048291	/nfs/dbraw/zinc/04/82/91/570048291.db2.gz	DZUWJUYTCAJTBU-UHFFFAOYSA-N	0	0	487.536	5.808	40	5		JKBBRN
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1	ZINC000408809969	570048765	/nfs/dbraw/zinc/04/87/65/570048765.db2.gz	OPRTWGSIURLOFI-UHFFFAOYSA-N	0	0	450.496	5.243	40	5		JKBBRN
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1	ZINC000408818872	570051389	/nfs/dbraw/zinc/05/13/89/570051389.db2.gz	YQJXNOGQHZJRKP-UHFFFAOYSA-N	0	0	491.332	5.933	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000408828310	570052574	/nfs/dbraw/zinc/05/25/74/570052574.db2.gz	DMNCMEWICJWXTO-UHFFFAOYSA-N	0	0	498.391	7.561	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408835051	570053030	/nfs/dbraw/zinc/05/30/30/570053030.db2.gz	VXVHLOPJELANIX-UHFFFAOYSA-N	0	0	473.598	6.849	40	5		JKBBRN
Cc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000408836643	570053108	/nfs/dbraw/zinc/05/31/08/570053108.db2.gz	TYAOTVHUIREPDL-UHFFFAOYSA-N	0	0	487.625	7.157	40	5		JKBBRN
CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408838520	570053375	/nfs/dbraw/zinc/05/33/75/570053375.db2.gz	FWINCEAWRREEND-DEDYPNTBSA-N	0	0	492.871	5.211	40	5		JKBBRN
O=C(Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	ZINC000408839081	570053431	/nfs/dbraw/zinc/05/34/31/570053431.db2.gz	MSLJVAGDXDCSJZ-XNTDXEJSSA-N	0	0	494.868	5.620	40	5		JKBBRN
O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1O	ZINC000408841343	570053727	/nfs/dbraw/zinc/05/37/27/570053727.db2.gz	FLCWZUAGBHJGJK-WUXMJOGZSA-N	0	0	479.695	5.276	40	5		JKBBRN
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1[N+](=O)[O-]	ZINC000408910287	570072325	/nfs/dbraw/zinc/07/23/25/570072325.db2.gz	JKWAYAMMZSMJKS-UHFFFAOYSA-N	0	0	461.499	5.110	40	5		JKBBRN
C[C@@H]1CCC[C@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@@H]2C)c4=O)[C@H]1C	ZINC000248129314	570074786	/nfs/dbraw/zinc/07/47/86/570074786.db2.gz	AASLOMJBKLCZLF-XDNJPJQUSA-N	0	0	486.612	5.060	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC(C)C	ZINC000408917130	570075655	/nfs/dbraw/zinc/07/56/55/570075655.db2.gz	NGWORSXIJHZPKD-YBFXNURJSA-N	0	0	476.938	5.671	40	5		JKBBRN
CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]12	ZINC000408919639	570076673	/nfs/dbraw/zinc/07/66/73/570076673.db2.gz	ZLVBFZBJBQIABB-MSVKLTOBSA-N	0	0	452.510	5.172	40	5		JKBBRN
O=C(Nc1ccc(CSc2ccccc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408920231	570076741	/nfs/dbraw/zinc/07/67/41/570076741.db2.gz	CITANXUEWBKXPY-ZXVVBBHZSA-N	0	0	466.562	7.066	40	5		JKBBRN
O=C(NCCSCc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408921140	570077153	/nfs/dbraw/zinc/07/71/53/570077153.db2.gz	FBZFZGUZPXQYIJ-XQNSMLJCSA-N	0	0	452.963	5.838	40	5		JKBBRN
O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408921154	570077201	/nfs/dbraw/zinc/07/72/01/570077201.db2.gz	TUUIRHYSTXZFCL-LGUFXXKBSA-N	0	0	499.548	5.575	40	5		JKBBRN
O=C(Nc1ccc(I)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408925905	570078415	/nfs/dbraw/zinc/07/84/15/570078415.db2.gz	RTWLXCPQNOADOQ-XSFVSMFZSA-N	0	0	470.266	5.379	40	5		JKBBRN
O=C(NCCSCc1ccccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408927173	570078724	/nfs/dbraw/zinc/07/87/24/570078724.db2.gz	YNBUTCMPTVANHC-CJLVFECKSA-N	0	0	452.963	5.838	40	5		JKBBRN
O=C(Nc1ccc(I)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408926981	570078777	/nfs/dbraw/zinc/07/87/77/570078777.db2.gz	XCJLDEFNEJJLBG-XSFVSMFZSA-N	0	0	470.266	5.379	40	5		JKBBRN
O=C(NCCSCc1ccc(Cl)cc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408927486	570078927	/nfs/dbraw/zinc/07/89/27/570078927.db2.gz	VZPNGNRYVXCCOM-HYARGMPZSA-N	0	0	487.408	6.492	40	5		JKBBRN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1	ZINC000408930593	570079732	/nfs/dbraw/zinc/07/97/32/570079732.db2.gz	ZEGMYYQEWYUNMA-ODLFYWEKSA-N	0	0	482.290	5.019	40	5		JKBBRN
O=C1N/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000408932364	570080432	/nfs/dbraw/zinc/08/04/32/570080432.db2.gz	WETBNMDHRDKKLA-IDUWFGFVSA-N	0	0	492.702	5.908	40	5		JKBBRN
O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1cccc([N+](=O)[O-])c1	ZINC000408974364	570089312	/nfs/dbraw/zinc/08/93/12/570089312.db2.gz	YJSXOLSILHBYOY-XGICHPGQSA-N	0	0	453.690	6.114	40	5		JKBBRN
CN(C)c1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408976158	570089921	/nfs/dbraw/zinc/08/99/21/570089921.db2.gz	PUHRCQMYBQMRBB-UHFFFAOYSA-N	0	0	459.513	5.589	40	5		JKBBRN
O=C(Nc1cccc(Br)c1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408976949	570090018	/nfs/dbraw/zinc/09/00/18/570090018.db2.gz	UADXQKBZQWMPNO-UHFFFAOYSA-N	0	0	495.340	6.286	40	5		JKBBRN
O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12	ZINC000408976702	570090041	/nfs/dbraw/zinc/09/00/41/570090041.db2.gz	SKMPREJKPTUQAZ-JJIBRWJFSA-N	0	0	491.528	5.806	40	5		JKBBRN
COc1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1	ZINC000408978183	570090307	/nfs/dbraw/zinc/09/03/07/570090307.db2.gz	YRGABCMRSRJWAB-UHFFFAOYSA-N	0	0	462.538	5.697	40	5		JKBBRN
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000408986730	570092580	/nfs/dbraw/zinc/09/25/80/570092580.db2.gz	DFWJFLRGTHDFSH-UHFFFAOYSA-N	0	0	491.569	6.219	40	5		JKBBRN
O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1)c1ccccc1	ZINC000408992536	570094408	/nfs/dbraw/zinc/09/44/08/570094408.db2.gz	SIFVRFBDZYZDFO-MYKRZTLLSA-N	0	0	462.505	6.285	40	5		JKBBRN
O=c1[nH]c(-c2ccccc2OCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CCCCCC3	ZINC000408992948	570094558	/nfs/dbraw/zinc/09/45/58/570094558.db2.gz	VEORBUCKELEDQJ-UHFFFAOYSA-N	0	0	461.543	6.210	40	5		JKBBRN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N=C(SCc2ccc([N+](=O)[O-])cc2)N1	ZINC000408993636	570094855	/nfs/dbraw/zinc/09/48/55/570094855.db2.gz	WXGHPYHLHQJCQM-HSZRJFAPSA-N	0	0	458.543	5.441	40	5		JKBBRN
COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@@H]21	ZINC000408994304	570095002	/nfs/dbraw/zinc/09/50/02/570095002.db2.gz	ZEJZXIFCVYCIFO-PMOQBDJRSA-N	0	0	451.320	5.837	40	5		JKBBRN
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408994342	570095132	/nfs/dbraw/zinc/09/51/32/570095132.db2.gz	YQCZNIPNGUYUQB-UHFFFAOYSA-N	0	0	491.569	6.219	40	5		JKBBRN
Cc1ccccc1N1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408997439	570095706	/nfs/dbraw/zinc/09/57/06/570095706.db2.gz	ORJVMXYMZNCBNN-UHFFFAOYSA-N	0	0	457.873	6.254	40	5		JKBBRN
C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1	ZINC000408999472	570096057	/nfs/dbraw/zinc/09/60/57/570096057.db2.gz	CYXMOWBWKHEYQE-ZFWHIUCFSA-N	0	0	499.611	5.149	40	5		JKBBRN
Cc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1C	ZINC000409000935	570096352	/nfs/dbraw/zinc/09/63/52/570096352.db2.gz	ZBVXRLAHNBAELA-UHFFFAOYSA-N	0	0	471.900	6.562	40	5		JKBBRN
O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1	ZINC000409001913	570096559	/nfs/dbraw/zinc/09/65/59/570096559.db2.gz	XVTFZKXYDJDAAH-UHFFFAOYSA-N	0	0	459.845	5.651	40	5		JKBBRN
O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000409002182	570096642	/nfs/dbraw/zinc/09/66/42/570096642.db2.gz	YSVDSLWKYYCREJ-FMYROPPKSA-N	0	0	482.967	7.298	40	5		JKBBRN
Cc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	ZINC000409007061	570098269	/nfs/dbraw/zinc/09/82/69/570098269.db2.gz	NGMCTMDBZWXWGI-NSHDSACASA-N	0	0	483.333	5.464	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409009547	570099045	/nfs/dbraw/zinc/09/90/45/570099045.db2.gz	GCSNXBNOCVNEAA-MQMKENTISA-N	0	0	490.965	6.061	40	5		JKBBRN
O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)Nc1ccc([N+](=O)[O-])cc1	ZINC000409010635	570099437	/nfs/dbraw/zinc/09/94/37/570099437.db2.gz	CXILNMPTEKVULQ-UHFFFAOYSA-N	0	0	483.333	5.027	40	5		JKBBRN
CCc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1	ZINC000409015773	570101065	/nfs/dbraw/zinc/10/10/65/570101065.db2.gz	FOCNBUUMUQJZSP-UHFFFAOYSA-N	0	0	473.532	7.292	40	5		JKBBRN
Cc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1	ZINC000409015509	570101072	/nfs/dbraw/zinc/10/10/72/570101072.db2.gz	BJONEXAEDLHEBO-UHFFFAOYSA-N	0	0	459.505	7.038	40	5		JKBBRN
C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1	ZINC000409017691	570101736	/nfs/dbraw/zinc/10/17/36/570101736.db2.gz	STLNRVZEMYTEJK-SNVBAGLBSA-N	0	0	469.306	5.155	40	5		JKBBRN
O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000409018257	570102114	/nfs/dbraw/zinc/10/21/14/570102114.db2.gz	SOQSMPDASUIQON-WQRHYEAKSA-N	0	0	471.947	5.554	40	5		JKBBRN
CC(C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O	ZINC000409022901	570103488	/nfs/dbraw/zinc/10/34/88/570103488.db2.gz	HTVSECBNUJHRIR-VCHYOVAHSA-N	0	0	477.336	5.381	40	5		JKBBRN
COc1ccc2[nH]cc(/C=C(/NC(=O)c3ccccc3)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1	ZINC000254486299	570105836	/nfs/dbraw/zinc/10/58/36/570105836.db2.gz	RNIWSMRMGOCKBE-FOKLQQMPSA-N	0	0	490.903	5.148	40	5		JKBBRN
CCN(CC)c1ccc2nc3c4ccccc4c(=NC(=O)c4ccc5ccccc5c4)cc-3oc2c1	ZINC000256081031	570107139	/nfs/dbraw/zinc/10/71/39/570107139.db2.gz	KISNZWYZDRRYKE-UHFFFAOYSA-N	0	0	471.560	6.826	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Cl)c1	ZINC000409052422	570110300	/nfs/dbraw/zinc/11/03/00/570110300.db2.gz	HGGACZRIKOWZCE-UHFFFAOYSA-N	0	0	453.882	6.430	40	5		JKBBRN
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1	ZINC000409052335	570110339	/nfs/dbraw/zinc/11/03/39/570110339.db2.gz	JPLBCDGWPTZUHG-UCQKPKSFSA-N	0	0	460.511	5.719	40	5		JKBBRN
CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000409053172	570110615	/nfs/dbraw/zinc/11/06/15/570110615.db2.gz	YHYTWXQHJOTROV-UHFFFAOYSA-N	0	0	491.544	6.956	40	5		JKBBRN
COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000409053041	570110625	/nfs/dbraw/zinc/11/06/25/570110625.db2.gz	JMJNFNOXXJCAFC-UHFFFAOYSA-N	0	0	483.908	6.439	40	5		JKBBRN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2	ZINC000409054510	570111179	/nfs/dbraw/zinc/11/11/79/570111179.db2.gz	AWUSAFSUIWIINL-UHFFFAOYSA-N	0	0	485.949	5.458	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)C12CC3CC(CC(C3)C1)C2	ZINC000409055589	570111650	/nfs/dbraw/zinc/11/16/50/570111650.db2.gz	ZUAADJOOTFGAJX-UHFFFAOYSA-N	0	0	477.561	6.679	40	5		JKBBRN
O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Br)cc1	ZINC000409057600	570112570	/nfs/dbraw/zinc/11/25/70/570112570.db2.gz	QDFAALLEJUNCCS-UHFFFAOYSA-N	0	0	498.333	6.539	40	5		JKBBRN
Cc1c(Cl)cccc1NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409078212	570120696	/nfs/dbraw/zinc/12/06/96/570120696.db2.gz	IATWWWFISJKTQO-UHFFFAOYSA-N	0	0	493.950	7.691	40	5		JKBBRN
O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	ZINC000409081597	570121842	/nfs/dbraw/zinc/12/18/42/570121842.db2.gz	QIMZWATYRMOKFX-UHFFFAOYSA-N	0	0	479.923	7.383	40	5		JKBBRN
CCOc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1	ZINC000409096189	570126693	/nfs/dbraw/zinc/12/66/93/570126693.db2.gz	CRPISHFKNHGRCW-UHFFFAOYSA-N	0	0	487.463	5.806	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1	ZINC000409099856	570127976	/nfs/dbraw/zinc/12/79/76/570127976.db2.gz	MBARVKRYMYCPGE-UHFFFAOYSA-N	0	0	494.857	6.805	40	5		JKBBRN
CCOc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1	ZINC000409102409	570128851	/nfs/dbraw/zinc/12/88/51/570128851.db2.gz	SRBOWQFBMBBKLY-UHFFFAOYSA-N	0	0	486.475	6.411	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1	ZINC000409103117	570129071	/nfs/dbraw/zinc/12/90/71/570129071.db2.gz	ARDOANASOYRUNA-UHFFFAOYSA-N	0	0	474.439	6.075	40	5		JKBBRN
COc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1	ZINC000409105849	570130134	/nfs/dbraw/zinc/13/01/34/570130134.db2.gz	LJVWYDMOLKFKTF-UHFFFAOYSA-N	0	0	473.436	5.416	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Br)cc(Br)cc1CO	ZINC000409112081	570132502	/nfs/dbraw/zinc/13/25/02/570132502.db2.gz	AVUUORKFMQNENN-UHFFFAOYSA-N	0	0	471.023	5.423	40	5		JKBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1	ZINC000409113325	570133071	/nfs/dbraw/zinc/13/30/71/570133071.db2.gz	FNDNZXVNTWXFIZ-UHFFFAOYSA-N	0	0	480.442	7.810	40	5		JKBBRN
CSc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000409115209	570133773	/nfs/dbraw/zinc/13/37/73/570133773.db2.gz	JKRJFNAKAIRVCL-NDEPHWFRSA-N	0	0	495.604	6.678	40	5		JKBBRN
Cc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1	ZINC000409116245	570134149	/nfs/dbraw/zinc/13/41/49/570134149.db2.gz	JTSYMAYUQKGTST-NDEPHWFRSA-N	0	0	463.537	6.265	40	5		JKBBRN
CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409116559	570134278	/nfs/dbraw/zinc/13/42/78/570134278.db2.gz	JKTKOGVWHASTQZ-UHFFFAOYSA-N	0	0	461.345	6.800	40	5		JKBBRN
CCc1ccccc1NCc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000409116727	570134402	/nfs/dbraw/zinc/13/44/02/570134402.db2.gz	KCUJZNFZYNYFNM-UHFFFAOYSA-N	0	0	471.351	6.119	40	5		JKBBRN
Cc1cc(I)ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000409117651	570134604	/nfs/dbraw/zinc/13/46/04/570134604.db2.gz	OJKBDCYSLGNYLA-XSFVSMFZSA-N	0	0	484.293	5.687	40	5		JKBBRN
CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C	ZINC000409119724	570135346	/nfs/dbraw/zinc/13/53/46/570135346.db2.gz	UBFXEGJSAOHGSU-UHFFFAOYSA-N	0	0	479.627	6.525	40	5		JKBBRN
COc1ccccc1[C@H]1N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccccc1	ZINC000409120440	570135554	/nfs/dbraw/zinc/13/55/54/570135554.db2.gz	VRJOBVHXHPEZLG-NDEPHWFRSA-N	0	0	479.536	5.965	40	5		JKBBRN
CCOc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409120963	570135797	/nfs/dbraw/zinc/13/57/97/570135797.db2.gz	XJDOKPWSBLTKDS-UHFFFAOYSA-N	0	0	485.378	6.564	40	5		JKBBRN
COc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409121574	570136037	/nfs/dbraw/zinc/13/60/37/570136037.db2.gz	YNSRPSHCFHERRC-UHFFFAOYSA-N	0	0	491.769	6.519	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409127838	570138836	/nfs/dbraw/zinc/13/88/36/570138836.db2.gz	KBPLPQJWSFVYQS-UDWIEESQSA-N	0	0	469.519	5.407	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1CCCc1ccccc1	ZINC000409128970	570139330	/nfs/dbraw/zinc/13/93/30/570139330.db2.gz	JMZJLQWCDNKREB-KGENOOAVSA-N	0	0	468.918	6.177	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1	ZINC000409130883	570140019	/nfs/dbraw/zinc/14/00/19/570140019.db2.gz	NZTVPEXANCMQHN-HYARGMPZSA-N	0	0	452.532	5.790	40	5		JKBBRN
Cc1cccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1	ZINC000409131452	570140346	/nfs/dbraw/zinc/14/03/46/570140346.db2.gz	JCBAAKRLXHOWMA-MUUNZHRXSA-N	0	0	463.537	6.265	40	5		JKBBRN
O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1CCCc1ccccc1	ZINC000409138634	570143459	/nfs/dbraw/zinc/14/34/59/570143459.db2.gz	FSXXHLQKYKWYMI-STZFKDTASA-N	0	0	468.918	6.177	40	5		JKBBRN
O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1	ZINC000409143667	570145733	/nfs/dbraw/zinc/14/57/33/570145733.db2.gz	DFNBXUUWGWRZNW-JJIBRWJFSA-N	0	0	474.538	5.843	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409144750	570146392	/nfs/dbraw/zinc/14/63/92/570146392.db2.gz	OWTYNIQFLHLZMA-OEAKJJBVSA-N	0	0	482.558	5.799	40	5		JKBBRN
COCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O	ZINC000409145535	570146600	/nfs/dbraw/zinc/14/66/00/570146600.db2.gz	QRRLKPHHGGOLJW-LICLKQGHSA-N	0	0	468.409	5.089	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409149059	570148430	/nfs/dbraw/zinc/14/84/30/570148430.db2.gz	WPMHHMHDTHSGPS-PXLXIMEGSA-N	0	0	491.525	5.460	40	5		JKBBRN
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O	ZINC000409156415	570150686	/nfs/dbraw/zinc/15/06/86/570150686.db2.gz	SFGMCNRTSMSJGI-WSDLNYQXSA-N	0	0	491.525	5.455	40	5		JKBBRN
O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc(Br)c1	ZINC000409158857	570151480	/nfs/dbraw/zinc/15/14/80/570151480.db2.gz	ZFGZTYYTMVXRBT-YBFXNURJSA-N	0	0	485.315	5.854	40	5		JKBBRN
Cc1cccc(OCc2nn(CC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c(=S)o2)c1	ZINC000409163494	570152622	/nfs/dbraw/zinc/15/26/22/570152622.db2.gz	SJGRSTFWCPAICB-UHFFFAOYSA-N	0	0	497.558	5.072	40	5		JKBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1	ZINC000409169311	570154278	/nfs/dbraw/zinc/15/42/78/570154278.db2.gz	XCEYLTJRSOBFKG-NYYWCZLTSA-N	0	0	492.340	5.354	40	5		JKBBRN
Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000409171538	570155089	/nfs/dbraw/zinc/15/50/89/570155089.db2.gz	DEJNSSAFQMQUAR-NHDPSOOVSA-N	0	0	468.918	6.362	40	5		JKBBRN
COc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	ZINC000409171936	570155157	/nfs/dbraw/zinc/15/51/57/570155157.db2.gz	FDGQPYJPLOFSJI-UHFFFAOYSA-N	0	0	461.499	5.558	40	5		JKBBRN
CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1	ZINC000409171929	570155165	/nfs/dbraw/zinc/15/51/65/570155165.db2.gz	DWVCYQVTHCMNKP-UHFFFAOYSA-N	0	0	469.833	5.006	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000409171951	570155172	/nfs/dbraw/zinc/15/51/72/570155172.db2.gz	FHMIMABHSIGDPC-UHFFFAOYSA-N	0	0	473.235	5.415	40	5		JKBBRN
Cc1ccc(NCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000409173968	570156078	/nfs/dbraw/zinc/15/60/78/570156078.db2.gz	QLMNCXPBEWTFCS-NDEPHWFRSA-N	0	0	480.520	6.296	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1c2ccccc2nc2c1CCCC2	ZINC000409174280	570156212	/nfs/dbraw/zinc/15/62/12/570156212.db2.gz	QQCAAGKTCAGFLQ-UHFFFAOYSA-N	0	0	454.482	6.171	40	5		JKBBRN
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O	ZINC000409175506	570156681	/nfs/dbraw/zinc/15/66/81/570156681.db2.gz	RYZZZMFUGKUBTC-RGVLZGJSSA-N	0	0	497.916	5.492	40	5		JKBBRN
Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Br	ZINC000409176345	570156915	/nfs/dbraw/zinc/15/69/15/570156915.db2.gz	LBSYHHXZUPOKOV-NRFANRHFSA-N	0	0	454.276	5.447	40	5		JKBBRN
Cc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1	ZINC000409176105	570156972	/nfs/dbraw/zinc/15/69/72/570156972.db2.gz	HLCDLANJGSEOEV-UHFFFAOYSA-N	0	0	490.515	7.268	40	5		JKBBRN
Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)OCc3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000409176728	570157183	/nfs/dbraw/zinc/15/71/83/570157183.db2.gz	WAZRIJDZTBQKAF-UHFFFAOYSA-N	0	0	473.510	5.636	40	5		JKBBRN
Cc1ccc(Cl)cc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000409177091	570157389	/nfs/dbraw/zinc/15/73/89/570157389.db2.gz	AGBILVLXSHOBIR-VWLOTQADSA-N	0	0	480.904	5.443	40	5		JKBBRN
Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000409177402	570157484	/nfs/dbraw/zinc/15/74/84/570157484.db2.gz	DHURJQWNUCNBQH-UHFFFAOYSA-N	0	0	473.506	5.622	40	5		JKBBRN
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1	ZINC000409177674	570157639	/nfs/dbraw/zinc/15/76/39/570157639.db2.gz	HTJYAGZXBTZOLJ-UHFFFAOYSA-N	0	0	475.284	5.276	40	5		JKBBRN
O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21	ZINC000409178575	570157985	/nfs/dbraw/zinc/15/79/85/570157985.db2.gz	GWPUSSDFKRXJIK-HHHXNRCGSA-N	0	0	483.480	5.029	40	5		JKBBRN
Cc1cccc(OCc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000409178873	570158131	/nfs/dbraw/zinc/15/81/31/570158131.db2.gz	OBLHFOCTQNTCPO-MUUNZHRXSA-N	0	0	481.504	6.263	40	5		JKBBRN
O=C(Nc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccccc1	ZINC000409179214	570158193	/nfs/dbraw/zinc/15/81/93/570158193.db2.gz	QIWVENJGUARROV-UHFFFAOYSA-N	0	0	468.465	5.996	40	5		JKBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21	ZINC000409179524	570158360	/nfs/dbraw/zinc/15/83/60/570158360.db2.gz	RVTBTRHSFYMSQP-UHFFFAOYSA-N	0	0	453.281	6.474	40	5		JKBBRN
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1	ZINC000409179438	570158361	/nfs/dbraw/zinc/15/83/61/570158361.db2.gz	NMMZHPWYZALIOQ-FYJGNVAPSA-N	0	0	477.498	5.092	40	5		JKBBRN
O=C(OC(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	ZINC000409179772	570158532	/nfs/dbraw/zinc/15/85/32/570158532.db2.gz	SHPWKBGYGVRLKP-UHFFFAOYSA-N	0	0	478.460	5.342	40	5		JKBBRN
O=C(Nc1ccccc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	ZINC000409180395	570158849	/nfs/dbraw/zinc/15/88/49/570158849.db2.gz	WWSPLUQYYIFWLJ-UHFFFAOYSA-N	0	0	468.465	5.996	40	5		JKBBRN
Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000409180369	570158855	/nfs/dbraw/zinc/15/88/55/570158855.db2.gz	RRYIYWAILMOUTO-UHFFFAOYSA-N	0	0	485.279	5.368	40	5		JKBBRN
O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1	ZINC000409180483	570158876	/nfs/dbraw/zinc/15/88/76/570158876.db2.gz	UFOKWZNDXIGMQB-DEOSSOPVSA-N	0	0	466.877	5.134	40	5		JKBBRN
Cc1ccc(N2C(=O)c3ccc(C(=O)OC(c4ccccc4)c4ccccc4)cc3C2=O)c([N+](=O)[O-])c1	ZINC000409180586	570158893	/nfs/dbraw/zinc/15/88/93/570158893.db2.gz	XNLVNPLCQDMTBK-UHFFFAOYSA-N	0	0	492.487	5.650	40	5		JKBBRN
O=C(Nc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1)c1ccccc1	ZINC000409180348	570158905	/nfs/dbraw/zinc/15/89/05/570158905.db2.gz	RKNYSQNXXPKNFB-UHFFFAOYSA-N	0	0	468.465	5.996	40	5		JKBBRN
Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000409180537	570158943	/nfs/dbraw/zinc/15/89/43/570158943.db2.gz	WOGYLFGOQUAUAY-DEOSSOPVSA-N	0	0	476.872	5.993	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(CNc2ccccc2)cc1	ZINC000409180934	570159053	/nfs/dbraw/zinc/15/90/53/570159053.db2.gz	ZGYRZQDRYCVHCX-MHZLTWQESA-N	0	0	466.493	5.988	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cn2nnc3ccccc32)cc1	ZINC000409181082	570159185	/nfs/dbraw/zinc/15/91/85/570159185.db2.gz	VQVYGTJZUCAQRI-MHZLTWQESA-N	0	0	492.491	5.169	40	5		JKBBRN
O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc(Cl)c1Cl	ZINC000409181078	570159213	/nfs/dbraw/zinc/15/92/13/570159213.db2.gz	VPUSDEVJWLQHFC-UHFFFAOYSA-N	0	0	489.311	6.156	40	5		JKBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O	ZINC000409181358	570159271	/nfs/dbraw/zinc/15/92/71/570159271.db2.gz	BQAADNIYSWDJLW-UHFFFAOYSA-N	0	0	471.252	5.059	40	5		JKBBRN
O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1	ZINC000409181873	570159566	/nfs/dbraw/zinc/15/95/66/570159566.db2.gz	GDLAHVJOAOGSBB-XMMPIXPASA-N	0	0	466.877	5.134	40	5		JKBBRN
O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000409182051	570159639	/nfs/dbraw/zinc/15/96/39/570159639.db2.gz	HYRGNNQBZXQAPO-UHFFFAOYSA-N	0	0	452.677	6.704	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000409182133	570159668	/nfs/dbraw/zinc/15/96/68/570159668.db2.gz	JJWIPFTZWGCUQV-HXUWFJFHSA-N	0	0	485.246	5.047	40	5		JKBBRN
O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409182156	570159752	/nfs/dbraw/zinc/15/97/52/570159752.db2.gz	ILNSIKPAYLHWPO-UHFFFAOYSA-N	0	0	496.475	5.679	40	5		JKBBRN
O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cn2nnc3ccccc32)cc1	ZINC000409182317	570159760	/nfs/dbraw/zinc/15/97/60/570159760.db2.gz	KOGKBSWUDNWTMD-UHFFFAOYSA-N	0	0	466.453	5.399	40	5		JKBBRN
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409182659	570159967	/nfs/dbraw/zinc/15/99/67/570159967.db2.gz	MUFVMFUBDDTCQA-UHFFFAOYSA-N	0	0	486.436	6.445	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)nc2ccccc21	ZINC000409182805	570159982	/nfs/dbraw/zinc/15/99/82/570159982.db2.gz	ODMDTEBRSQJBQL-HHHXNRCGSA-N	0	0	494.528	6.653	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cn2nnc3ccccc32)cc1	ZINC000409182988	570160102	/nfs/dbraw/zinc/16/01/02/570160102.db2.gz	QNBRLMCZDADKLL-UHFFFAOYSA-N	0	0	480.480	5.537	40	5		JKBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000409183864	570160285	/nfs/dbraw/zinc/16/02/85/570160285.db2.gz	VUDGUDPYAMDXMF-SANMLTNESA-N	0	0	487.895	6.822	40	5		JKBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1	ZINC000409184189	570160353	/nfs/dbraw/zinc/16/03/53/570160353.db2.gz	XWSJOMFJKNVFIA-HHHXNRCGSA-N	0	0	451.478	5.894	40	5		JKBBRN
COc1cc(CNc2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409184094	570160416	/nfs/dbraw/zinc/16/04/16/570160416.db2.gz	WTCTXNIBOBNQBF-UHFFFAOYSA-N	0	0	452.816	6.680	40	5		JKBBRN
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000409184710	570160519	/nfs/dbraw/zinc/16/05/19/570160519.db2.gz	ZMEJZSBWZMGEKM-UHFFFAOYSA-N	0	0	491.503	6.597	40	5		JKBBRN
Cc1ccccc1NCc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409184879	570160567	/nfs/dbraw/zinc/16/05/67/570160567.db2.gz	YPLSMRGUIWRBQZ-MUUNZHRXSA-N	0	0	480.520	6.296	40	5		JKBBRN
Cc1ccccc1NCc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409184884	570160599	/nfs/dbraw/zinc/16/05/99/570160599.db2.gz	YPLSMRGUIWRBQZ-NDEPHWFRSA-N	0	0	480.520	6.296	40	5		JKBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000409188293	570161102	/nfs/dbraw/zinc/16/11/02/570161102.db2.gz	FTHVJNXAEMUDCH-YBFXNURJSA-N	0	0	456.863	5.758	40	5		JKBBRN
CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000409190224	570161728	/nfs/dbraw/zinc/16/17/28/570161728.db2.gz	MQJKINAEVANPDD-KVGZNFPRSA-N	0	0	498.491	5.265	40	5		JKBBRN
COc1ccc(-c2s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n(C)c2-c2ccc(OC)cc2)cc1	ZINC000409197254	570163901	/nfs/dbraw/zinc/16/39/01/570163901.db2.gz	ZUSBYYWMNFSIIN-QPLCGJKRSA-N	0	0	475.526	5.087	40	5		JKBBRN
Cc1ccc(C2=N/C(=C/c3cccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)O2)cc1Cl	ZINC000409198411	570164236	/nfs/dbraw/zinc/16/42/36/570164236.db2.gz	FVKFKSXJSRGHCS-SRZZPIQSSA-N	0	0	462.845	5.120	40	5		JKBBRN
O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2CNc2ccc(Br)cc2)cc1	ZINC000409198911	570164327	/nfs/dbraw/zinc/16/43/27/570164327.db2.gz	GERYWTYZCKGOGH-UHFFFAOYSA-N	0	0	463.331	6.702	40	5		JKBBRN
CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409200896	570165278	/nfs/dbraw/zinc/16/52/78/570165278.db2.gz	KDMBPEVFCCXIJS-UDWIEESQSA-N	0	0	497.916	6.075	40	5		JKBBRN
COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409201858	570165698	/nfs/dbraw/zinc/16/56/98/570165698.db2.gz	OFYNVRURPVPERS-WSDLNYQXSA-N	0	0	496.928	6.077	40	5		JKBBRN
COc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409204540	570166819	/nfs/dbraw/zinc/16/68/19/570166819.db2.gz	IKLZQESZINCEOQ-UHFFFAOYSA-N	0	0	461.287	5.696	40	5		JKBBRN
COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1	ZINC000409206762	570167463	/nfs/dbraw/zinc/16/74/63/570167463.db2.gz	XIRRJIUSWNSVCL-LCUIJRPUSA-N	0	0	479.945	5.732	40	5		JKBBRN
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409208547	570168168	/nfs/dbraw/zinc/16/81/68/570168168.db2.gz	CGEGXIBNEJCSKI-RGVLZGJSSA-N	0	0	499.342	6.162	40	5		JKBBRN
O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CCc1ccccc1	ZINC000409209755	570169031	/nfs/dbraw/zinc/16/90/31/570169031.db2.gz	HTUPXPFHMANWDC-XYGWBWBKSA-N	0	0	483.549	5.877	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1cccc(Cl)c1	ZINC000409210831	570169723	/nfs/dbraw/zinc/16/97/23/570169723.db2.gz	MRMIDKMVUPWIMR-WCSRMQSCSA-N	0	0	486.720	5.230	40	5		JKBBRN
O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1	ZINC000409212792	570170632	/nfs/dbraw/zinc/17/06/32/570170632.db2.gz	QZJPVDQSTYYKPQ-NVNXTCNLSA-N	0	0	498.152	5.356	40	5		JKBBRN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1	ZINC000409213516	570171121	/nfs/dbraw/zinc/17/11/21/570171121.db2.gz	PNLHBAZUZRZCNY-CIAFOILYSA-N	0	0	477.498	5.147	40	5		JKBBRN
Cc1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000409224153	570175391	/nfs/dbraw/zinc/17/53/91/570175391.db2.gz	IZJWZIUOAOTDSM-UUYOSTAYSA-N	0	0	462.483	5.391	40	5		JKBBRN
CCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O	ZINC000409234941	570179302	/nfs/dbraw/zinc/17/93/02/570179302.db2.gz	BAWKTLRJJIIGJZ-XDHOZWIPSA-N	0	0	476.938	5.672	40	5		JKBBRN
O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000409235824	570179659	/nfs/dbraw/zinc/17/96/59/570179659.db2.gz	CCSSMTGPGHBBMC-LPYMAVHISA-N	0	0	480.929	6.064	40	5		JKBBRN
O=C1NC(=Cc2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1c1ccc(Cl)cc1	ZINC000409236254	570179917	/nfs/dbraw/zinc/17/99/17/570179917.db2.gz	FSFKALOPSDVZRN-BUVRLJJBSA-N	0	0	499.910	6.078	40	5		JKBBRN
CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329008975	570181572	/nfs/dbraw/zinc/18/15/72/570181572.db2.gz	LTTREGZYFYDPKY-LBPRGKRZSA-N	0	0	481.862	5.402	40	5		JKBBRN
CC(C)[C@@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329020414	570181896	/nfs/dbraw/zinc/18/18/96/570181896.db2.gz	OCGOLOGZTZUPDF-LJQANCHMSA-N	0	0	477.443	5.123	40	5		JKBBRN
CC(C)[C@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329020413	570181904	/nfs/dbraw/zinc/18/19/04/570181904.db2.gz	OCGOLOGZTZUPDF-IBGZPJMESA-N	0	0	477.443	5.123	40	5		JKBBRN
CC(C)(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329033740	570182537	/nfs/dbraw/zinc/18/25/37/570182537.db2.gz	QVOONWYAQUMGKZ-UHFFFAOYSA-N	0	0	465.407	6.044	40	5		JKBBRN
O=[N+]([O-])c1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1	ZINC000329057835	570183317	/nfs/dbraw/zinc/18/33/17/570183317.db2.gz	WATJBPLJMWRTPE-UHFFFAOYSA-N	0	0	487.482	5.151	40	5		JKBBRN
O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccccc1Cl	ZINC000409244568	570183644	/nfs/dbraw/zinc/18/36/44/570183644.db2.gz	FPPJLFZJOKOJSZ-ODLFYWEKSA-N	0	0	483.889	5.183	40	5		JKBBRN
COCCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O	ZINC000409247270	570184683	/nfs/dbraw/zinc/18/46/83/570184683.db2.gz	LWTZYRAJVJNCPV-FRKPEAEDSA-N	0	0	457.291	5.234	40	5		JKBBRN
COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409256516	570186975	/nfs/dbraw/zinc/18/69/75/570186975.db2.gz	OYQCXTYYEZKVSC-UHFFFAOYSA-N	0	0	457.364	5.730	40	5		JKBBRN
O=c1[nH]c(-c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)nc2sc3c(c21)CCCC3	ZINC000409259856	570187460	/nfs/dbraw/zinc/18/74/60/570187460.db2.gz	GRMVBXVEIXTQCJ-UHFFFAOYSA-N	0	0	456.527	5.854	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(Cl)ccc2C)cc1	ZINC000409262492	570187745	/nfs/dbraw/zinc/18/77/45/570187745.db2.gz	HKLBOYSKVJRGNJ-UHFFFAOYSA-N	0	0	487.965	5.007	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Cl)cc2C)cc1	ZINC000409267033	570188642	/nfs/dbraw/zinc/18/86/42/570188642.db2.gz	ROMIJOOWCPSYMS-UHFFFAOYSA-N	0	0	487.965	5.007	40	5		JKBBRN
Cc1nn(Cc2ccccc2)c(C)c1N1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCC2)C1=O	ZINC000408537256	570190806	/nfs/dbraw/zinc/19/08/06/570190806.db2.gz	ZTIIUDOLLSYVDV-UHFFFAOYSA-N	0	0	495.539	5.010	40	5		JKBBRN
CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	ZINC000408542191	570191737	/nfs/dbraw/zinc/19/17/37/570191737.db2.gz	HXOHQPYQRGNRGK-KTKRTIGZSA-N	0	0	459.296	5.802	40	5		JKBBRN
Cc1noc(/C=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1[N+](=O)[O-]	ZINC000408541945	570191746	/nfs/dbraw/zinc/19/17/46/570191746.db2.gz	GTEPHPJRARFHNY-CLTKARDFSA-N	0	0	484.133	6.710	40	5		JKBBRN
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC	ZINC000408546690	570193537	/nfs/dbraw/zinc/19/35/37/570193537.db2.gz	MTYBWWKOLZOKHB-UHFFFAOYSA-N	0	0	479.436	5.063	40	5		JKBBRN
CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1	ZINC000408555501	570196868	/nfs/dbraw/zinc/19/68/68/570196868.db2.gz	XTOADMFXAKHFJH-UHFFFAOYSA-N	0	0	485.334	5.896	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000408556191	570197331	/nfs/dbraw/zinc/19/73/31/570197331.db2.gz	IFOFBAHCYWYAOT-UHFFFAOYSA-N	0	0	469.925	5.585	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408556609	570197521	/nfs/dbraw/zinc/19/75/21/570197521.db2.gz	JTHXJQSYCPXPEW-UHFFFAOYSA-N	0	0	497.813	6.588	40	5		JKBBRN
O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c1	ZINC000408556623	570197529	/nfs/dbraw/zinc/19/75/29/570197529.db2.gz	KTYCDMSTLMQKBW-UHFFFAOYSA-N	0	0	482.161	6.855	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000408557604	570198285	/nfs/dbraw/zinc/19/82/85/570198285.db2.gz	PGWQZLLBJVVTBP-UHFFFAOYSA-N	0	0	491.769	6.601	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000408558336	570198987	/nfs/dbraw/zinc/19/89/87/570198987.db2.gz	RDPCQGOQDZBOFM-UHFFFAOYSA-N	0	0	467.736	6.755	40	5		JKBBRN
COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408558710	570199163	/nfs/dbraw/zinc/19/91/63/570199163.db2.gz	VHVJMACMFFZROI-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000408558826	570199288	/nfs/dbraw/zinc/19/92/88/570199288.db2.gz	WJFPJHYSQWSNNF-UHFFFAOYSA-N	0	0	477.742	6.210	40	5		JKBBRN
CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408559770	570200009	/nfs/dbraw/zinc/20/00/09/570200009.db2.gz	YSLQCKUWTLAXCE-UHFFFAOYSA-N	0	0	489.937	5.008	40	5		JKBBRN
CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408559826	570200041	/nfs/dbraw/zinc/20/00/41/570200041.db2.gz	ZHHVWYMYCUKBQI-UHFFFAOYSA-N	0	0	489.937	5.008	40	5		JKBBRN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1	ZINC000408559870	570200091	/nfs/dbraw/zinc/20/00/91/570200091.db2.gz	WVYURTXYCLFPMT-UHFFFAOYSA-N	0	0	475.314	6.086	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1	ZINC000408560152	570200231	/nfs/dbraw/zinc/20/02/31/570200231.db2.gz	CFVCHXJYECUUAD-ATJXCDBQSA-N	0	0	450.347	5.755	40	5		JKBBRN
CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Br)cc1	ZINC000408560599	570200415	/nfs/dbraw/zinc/20/04/15/570200415.db2.gz	DOVGSCPVDBQLEH-ATJXCDBQSA-N	0	0	494.798	5.864	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)cc1	ZINC000408560888	570200699	/nfs/dbraw/zinc/20/06/99/570200699.db2.gz	FKZAUPUPVJUXFE-FLFQWRMESA-N	0	0	464.374	6.145	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Br)cc1	ZINC000408561389	570201054	/nfs/dbraw/zinc/20/10/54/570201054.db2.gz	IRLPXXICQYNHSZ-LNVKXUELSA-N	0	0	474.380	5.601	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1	ZINC000408561960	570201405	/nfs/dbraw/zinc/20/14/05/570201405.db2.gz	MAXVUIGZPNLPKO-IZHYLOQSSA-N	0	0	453.564	5.464	40	5		JKBBRN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(Cl)ccc2C)cc1	ZINC000409326267	570202164	/nfs/dbraw/zinc/20/21/64/570202164.db2.gz	JEKSBIPATCNKEW-UHFFFAOYSA-N	0	0	487.965	5.007	40	5		JKBBRN
CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Cl)cc1	ZINC000408564554	570202767	/nfs/dbraw/zinc/20/27/67/570202767.db2.gz	ZMTWXKCQRBZUOV-FLFQWRMESA-N	0	0	464.374	6.145	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccccc1	ZINC000408564797	570202782	/nfs/dbraw/zinc/20/27/82/570202782.db2.gz	AHIPWUGFRCHNMF-QHCPKHFHSA-N	0	0	464.522	5.404	40	5		JKBBRN
CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	ZINC000408564670	570202811	/nfs/dbraw/zinc/20/28/11/570202811.db2.gz	DNSIGFNSTHVEOC-HFRGRHLUSA-N	0	0	498.366	5.094	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1	ZINC000408565090	570203009	/nfs/dbraw/zinc/20/30/09/570203009.db2.gz	BDXYUZLZVINCDK-LJQANCHMSA-N	0	0	475.759	7.116	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1cccc(C)c1	ZINC000408565244	570203197	/nfs/dbraw/zinc/20/31/97/570203197.db2.gz	BLDDTZGMCXUHHH-XMMPIXPASA-N	0	0	495.004	6.227	40	5		JKBBRN
CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Cl	ZINC000408565892	570203461	/nfs/dbraw/zinc/20/34/61/570203461.db2.gz	DDCOOSUSVAFFGN-IBGZPJMESA-N	0	0	481.405	6.008	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1	ZINC000408565901	570203481	/nfs/dbraw/zinc/20/34/81/570203481.db2.gz	DDYFUHCXPPKPIM-HXUWFJFHSA-N	0	0	485.765	6.571	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc(F)cc1	ZINC000408566319	570203696	/nfs/dbraw/zinc/20/36/96/570203696.db2.gz	FHOZQWZXIYTZKU-HXUWFJFHSA-N	0	0	454.885	5.957	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	ZINC000408566626	570203907	/nfs/dbraw/zinc/20/39/07/570203907.db2.gz	FTYIQMDONJQNFG-IBGZPJMESA-N	0	0	475.759	7.116	40	5		JKBBRN
CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1Cl	ZINC000408568186	570204160	/nfs/dbraw/zinc/20/41/60/570204160.db2.gz	HVUICMQTNLFVAX-NRFANRHFSA-N	0	0	485.367	6.861	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(Cl)cc1	ZINC000408567592	570204174	/nfs/dbraw/zinc/20/41/74/570204174.db2.gz	GWZQENKZSWYNDR-QHCPKHFHSA-N	0	0	480.977	5.918	40	5		JKBBRN
CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000409331218	570204332	/nfs/dbraw/zinc/20/43/32/570204332.db2.gz	DHGYXSJLJQEOJG-UHFFFAOYSA-N	0	0	468.630	6.381	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1cccc(C)c1	ZINC000408569578	570204410	/nfs/dbraw/zinc/20/44/10/570204410.db2.gz	JQUJYZCNCZMYMB-RUZDIDTESA-N	0	0	474.586	5.882	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Br)cc1	ZINC000408569843	570204446	/nfs/dbraw/zinc/20/44/46/570204446.db2.gz	JYFWXQHVYZOBEV-JOCHJYFZSA-N	0	0	495.373	6.317	40	5		JKBBRN
CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCC)c(Cl)c2)cc1	ZINC000408569845	570204477	/nfs/dbraw/zinc/20/44/77/570204477.db2.gz	JYLSZANLHRSYAZ-IBGZPJMESA-N	0	0	497.404	5.790	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(C)c(C)c1	ZINC000408570901	570204597	/nfs/dbraw/zinc/20/45/97/570204597.db2.gz	MGMFSFXDYYWCBQ-RUZDIDTESA-N	0	0	492.576	6.021	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccccc1	ZINC000408571005	570204599	/nfs/dbraw/zinc/20/45/99/570204599.db2.gz	MSCHETYUZNNNCF-HSZRJFAPSA-N	0	0	491.529	5.173	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1	ZINC000408570673	570204638	/nfs/dbraw/zinc/20/46/38/570204638.db2.gz	LVCYSORLECJMGS-DEOSSOPVSA-N	0	0	476.558	5.273	40	5		JKBBRN
CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Cl	ZINC000408570887	570204640	/nfs/dbraw/zinc/20/46/40/570204640.db2.gz	MEJNIOPEJPQFRD-KRWDZBQOSA-N	0	0	471.341	5.530	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(C)c(C)c1	ZINC000408571030	570204641	/nfs/dbraw/zinc/20/46/41/570204641.db2.gz	MWUUHIQZJPPCFN-VWLOTQADSA-N	0	0	474.586	5.882	40	5		JKBBRN
O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	ZINC000408571119	570204667	/nfs/dbraw/zinc/20/46/67/570204667.db2.gz	NRISGWKQSXFGSH-SFHVURJKSA-N	0	0	475.759	7.116	40	5		JKBBRN
COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Br	ZINC000408571163	570204675	/nfs/dbraw/zinc/20/46/75/570204675.db2.gz	NYNOALISHWOAML-KRWDZBQOSA-N	0	0	483.775	5.110	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccccc1	ZINC000408571124	570204692	/nfs/dbraw/zinc/20/46/92/570204692.db2.gz	NRXBKDAWJZTFLN-HSZRJFAPSA-N	0	0	464.522	5.404	40	5		JKBBRN
CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1	ZINC000408571405	570204751	/nfs/dbraw/zinc/20/47/51/570204751.db2.gz	OQEVHBHUUJTOCK-HXUWFJFHSA-N	0	0	491.411	5.464	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1	ZINC000408571882	570204837	/nfs/dbraw/zinc/20/48/37/570204837.db2.gz	PUJLBYCYRGLXIW-FQEVSTJZSA-N	0	0	481.346	5.927	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(C)cc1	ZINC000408572008	570204838	/nfs/dbraw/zinc/20/48/38/570204838.db2.gz	QJHHGPAXBCFIKI-XMMPIXPASA-N	0	0	495.004	6.227	40	5		JKBBRN
COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1	ZINC000408571887	570204857	/nfs/dbraw/zinc/20/48/57/570204857.db2.gz	PUJLBYCYRGLXIW-HXUWFJFHSA-N	0	0	481.346	5.927	40	5		JKBBRN
COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000408572329	570204907	/nfs/dbraw/zinc/20/49/07/570204907.db2.gz	QXLGNGBIENKJQE-IBGZPJMESA-N	0	0	471.340	6.471	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccccc1	ZINC000408572425	570204932	/nfs/dbraw/zinc/20/49/32/570204932.db2.gz	RDMDIHSCLALDSU-QHCPKHFHSA-N	0	0	464.522	5.404	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1cccc(C)c1	ZINC000408572454	570204936	/nfs/dbraw/zinc/20/49/36/570204936.db2.gz	RFIKWMQFOJDMEN-XMMPIXPASA-N	0	0	495.004	6.227	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(C)c(C)c1	ZINC000408572667	570204983	/nfs/dbraw/zinc/20/49/83/570204983.db2.gz	RRPYVYSGKWPKDB-AREMUKBSSA-N	0	0	488.613	6.190	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(C)cc1	ZINC000408572734	570205009	/nfs/dbraw/zinc/20/50/09/570205009.db2.gz	RXMOLDOFYJFLNK-DEOSSOPVSA-N	0	0	478.549	5.712	40	5		JKBBRN
CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1Cl	ZINC000408573464	570205147	/nfs/dbraw/zinc/20/51/47/570205147.db2.gz	SYDLNWKVXKDNED-QGZVFWFLSA-N	0	0	453.351	5.391	40	5		JKBBRN
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000408573317	570205153	/nfs/dbraw/zinc/20/51/53/570205153.db2.gz	BAJKSBIBFMYLIU-UHFFFAOYSA-N	0	0	480.329	5.263	40	5		JKBBRN
CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1Cl	ZINC000408573568	570205261	/nfs/dbraw/zinc/20/52/61/570205261.db2.gz	TWSWDHXQJCXKLS-OAQYLSRUSA-N	0	0	450.922	6.208	40	5		JKBBRN
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1	ZINC000408574010	570205271	/nfs/dbraw/zinc/20/52/71/570205271.db2.gz	UJWVNKZOQUCUAE-XMMPIXPASA-N	0	0	494.548	5.413	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(C)cc1	ZINC000408574536	570205485	/nfs/dbraw/zinc/20/54/85/570205485.db2.gz	VDJFSYLJIJFYPB-DEOSSOPVSA-N	0	0	460.559	5.573	40	5		JKBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(F)cc1	ZINC000408575352	570205654	/nfs/dbraw/zinc/20/56/54/570205654.db2.gz	WAMGGLFWHFMJGV-QHCPKHFHSA-N	0	0	498.967	6.057	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(Cl)cc1	ZINC000408576564	570205982	/nfs/dbraw/zinc/20/59/82/570205982.db2.gz	XSFCMFRNQKOMGP-HSZRJFAPSA-N	0	0	498.967	6.057	40	5		JKBBRN
CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl	ZINC000408577121	570206057	/nfs/dbraw/zinc/20/60/57/570206057.db2.gz	YOOLHNQHFCEHBO-GOSISDBHSA-N	0	0	467.378	5.700	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000408576693	570206027	/nfs/dbraw/zinc/20/60/27/570206027.db2.gz	YBMQSSQDAPGEOE-HXUWFJFHSA-N	0	0	451.866	5.717	40	5		JKBBRN
CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl	ZINC000408577125	570206061	/nfs/dbraw/zinc/20/60/61/570206061.db2.gz	YOOLHNQHFCEHBO-SFHVURJKSA-N	0	0	467.378	5.700	40	5		JKBBRN
O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccccc1	ZINC000408577287	570206113	/nfs/dbraw/zinc/20/61/13/570206113.db2.gz	YYCGFVNGLMFIJT-OAQYLSRUSA-N	0	0	451.320	5.918	40	5		JKBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1cccc(C)c1	ZINC000408577781	570206199	/nfs/dbraw/zinc/20/61/99/570206199.db2.gz	ZWHUSYKSUHJKQT-XMMPIXPASA-N	0	0	478.549	5.712	40	5		JKBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1	ZINC000408583856	570207404	/nfs/dbraw/zinc/20/74/04/570207404.db2.gz	XVTHIOPUYZUGQQ-UHFFFAOYSA-N	0	0	498.870	5.463	40	5		JKBBRN