smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(C(=O)c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)C2=C1[O-]	ZINC000059416424	195399414	/nfs/dbraw/zinc/39/94/14/195399414.db2.gz	LKQQYCUEDOYGCC-IFMALSPDSA-N	-1	0	488.887	4.174	40	5		JIBBRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000009064934	554884465	/nfs/dbraw/zinc/88/44/65/554884465.db2.gz	FETXVPJTYYGZIV-UHFFFAOYSA-N	-1	0	455.323	4.334	40	5		JIBBRM
COc1c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc2ccccc2c1Br	ZINC000014275208	555780112	/nfs/dbraw/zinc/78/01/12/555780112.db2.gz	VFTQEYVLGOXNTQ-UHFFFAOYSA-N	-1	0	476.308	4.352	40	5		JIBBRM
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000014405155	555807657	/nfs/dbraw/zinc/80/76/57/555807657.db2.gz	RRKXUJUJMFKFBY-UHFFFAOYSA-N	-1	0	491.529	4.450	40	5		JIBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl	ZINC000035178448	569677528	/nfs/dbraw/zinc/67/75/28/569677528.db2.gz	URCANUVHVNUHSV-FNORWQNLSA-N	-1	0	464.261	4.449	40	5		JIBBRM
COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1[O-]	ZINC000106724370	569855102	/nfs/dbraw/zinc/85/51/02/569855102.db2.gz	ICTGJTBBBPFWND-CHHVJCJISA-N	-1	0	465.281	4.308	40	5		JIBBRM
O=C1S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C(=O)N1c1ccccc1	ZINC000408902947	570069722	/nfs/dbraw/zinc/06/97/22/570069722.db2.gz	SOBBTTURONQRNZ-NTUHNPAUSA-N	-1	0	468.228	4.146	40	5		JIBBRM
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])cc(Br)c3[O-])C2=O)c1	ZINC000408939701	570082311	/nfs/dbraw/zinc/08/23/11/570082311.db2.gz	TZOCWWQJBPSILY-CHHVJCJISA-N	-1	0	492.307	4.046	40	5		JIBBRM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(O)c2)ccc1Cl	ZINC000016778266	527340190	/nfs/dbraw/zinc/34/01/90/527340190.db2.gz	FUOSOYKATLCLCT-UHFFFAOYSA-N	-1	0	471.882	4.441	40	5		JIBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1Cl	ZINC000009064675	554883110	/nfs/dbraw/zinc/88/31/10/554883110.db2.gz	VDEAMIMMWOWPEV-UHFFFAOYSA-N	-1	0	462.915	4.064	40	5		JIBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl	ZINC000009064676	554883127	/nfs/dbraw/zinc/88/31/27/554883127.db2.gz	IFITZJVKPNYCMM-UHFFFAOYSA-N	-1	0	462.915	4.064	40	5		JIBBRM
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000014405012	555807444	/nfs/dbraw/zinc/80/74/44/555807444.db2.gz	CQQCNMGSRDXOHT-UHFFFAOYSA-N	-1	0	491.529	4.450	40	5		JIBBRM
O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1[O-])C1(Cl)c3ccccc3C2(Cl)c2ccccc21	ZINC000408652901	569995167	/nfs/dbraw/zinc/99/51/67/569995167.db2.gz	INXWUVPPVMOFKQ-LMHXZZLNSA-N	-1	0	481.291	4.398	40	5		JIBBRM
O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1[O-])C1(Cl)c3ccccc3C2(Cl)c2ccccc21	ZINC000408652904	569995199	/nfs/dbraw/zinc/99/51/99/569995199.db2.gz	INXWUVPPVMOFKQ-TUUBTQOTSA-N	-1	0	481.291	4.398	40	5		JIBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1	ZINC000408705824	570024815	/nfs/dbraw/zinc/02/48/15/570024815.db2.gz	ODYCZMYDXWGSFV-UHFFFAOYSA-N	-1	0	495.966	4.467	40	5		JIBBRM
O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000039768461	569811863	/nfs/dbraw/zinc/81/18/63/569811863.db2.gz	SACMDNSIQBHDRT-UHFFFAOYSA-N	-1	0	481.515	4.166	40	5		JIBBRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409145455	570146617	/nfs/dbraw/zinc/14/66/17/570146617.db2.gz	IJDJBQSZRUAQFJ-RQZCQDPDSA-N	-1	0	492.893	4.347	40	5		JIBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1	ZINC000409318678	570200624	/nfs/dbraw/zinc/20/06/24/570200624.db2.gz	WZWJTPMZVFFNAU-DAXSKMNVSA-N	-1	0	492.257	4.456	40	5		JIBBRM
O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000013598478	555529751	/nfs/dbraw/zinc/52/97/51/555529751.db2.gz	MSGHTQFMJZREGQ-JTDSTZFVSA-N	-1	0	481.408	4.020	40	5		JIBBRM
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OCc1ccc(Cl)cc1Cl	ZINC000033676622	569630616	/nfs/dbraw/zinc/63/06/16/569630616.db2.gz	MXJDHGATBHWHPW-QHHAFSJGSA-N	-1	0	464.261	4.449	40	5		JIBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)[O-])o1	ZINC000408633673	569984707	/nfs/dbraw/zinc/98/47/07/569984707.db2.gz	OLHJNRPQIKLHIR-BNCCVWRVSA-N	-1	0	477.838	4.253	40	5		JIBBRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1	ZINC000409173897	570155962	/nfs/dbraw/zinc/15/59/62/570155962.db2.gz	OUMHPJBKCWBTBE-AWNIVKPZSA-N	-1	0	483.502	4.065	40	5		JIBBRM
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000409173763	570155980	/nfs/dbraw/zinc/15/59/80/570155980.db2.gz	RMWBDHJSSTTZSM-UHFFFAOYSA-N	-1	0	495.966	4.467	40	5		JIBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409179286	570158294	/nfs/dbraw/zinc/15/82/94/570158294.db2.gz	QWJPPKKAVGXZHX-IUXPMGMMSA-N	-1	0	491.909	4.336	40	5		JIBBRM
CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000261361954	570167436	/nfs/dbraw/zinc/16/74/36/570167436.db2.gz	FBMADJPGCWFXCH-NRFANRHFSA-O	-1	0	484.558	4.404	40	5		JIBBRM
O=c1[nH]c(C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000013955270	555659585	/nfs/dbraw/zinc/65/95/85/555659585.db2.gz	VNVGSIFYDBHFGG-XBXARRHUSA-N	-1	0	462.231	4.035	40	5		JIBBRM
CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(C(=O)[O-])c(Cl)c3)cc2[N+](=O)[O-])CC1	ZINC000020153104	555671594	/nfs/dbraw/zinc/67/15/94/555671594.db2.gz	LJFWPQMQCVPNQD-UHFFFAOYSA-N	-1	0	476.942	4.310	40	5		JIBBRM
COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3ccc([N+](=O)[O-])cc3)cc(C)c2[O-])cc1	ZINC000026786931	556263324	/nfs/dbraw/zinc/26/33/24/556263324.db2.gz	WXTHDHFWFDVDTB-UHFFFAOYSA-N	-1	0	456.476	4.011	40	5		JIBBRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408630718	569982473	/nfs/dbraw/zinc/98/24/73/569982473.db2.gz	CFGBFCVQAZRZRP-UNOMPAQXSA-N	-1	0	470.507	4.471	40	5		JIBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)C(=O)[O-])o2)c1	ZINC000408632494	569983802	/nfs/dbraw/zinc/98/38/02/569983802.db2.gz	JFKBBTJGSFEJRP-UDWIEESQSA-N	-1	0	498.517	4.480	40	5		JIBBRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000409103792	570129348	/nfs/dbraw/zinc/12/93/48/570129348.db2.gz	YXYVMPARAYYFJR-LZYBPNLTSA-N	-1	0	477.882	4.028	40	5		JIBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O	ZINC000409138571	570143336	/nfs/dbraw/zinc/14/33/36/570143336.db2.gz	DVTURYYIEWOQCV-LZYBPNLTSA-N	-1	0	493.291	4.057	40	5		JIBBRM
O=C([O-])CCC(=O)N1N=C2/C(=C\c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000096400880	130077918	/nfs/dbraw/zinc/07/79/18/130077918.db2.gz	QHJGUECEBZVYJY-DKGHAMRQSA-N	-1	0	478.461	4.491	40	5		JIBBRM
O=C(Nc1nnc(-c2ccccc2)s1)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000009062159	554879442	/nfs/dbraw/zinc/87/94/42/554879442.db2.gz	UKNNMXAZWLZLPN-UHFFFAOYSA-N	-1	0	481.515	4.166	40	5		JIBBRM
C[C@@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1	ZINC000100574061	569764970	/nfs/dbraw/zinc/76/49/70/569764970.db2.gz	RADGSAFFTXGRGW-QRXMYIDTSA-N	-1	0	457.482	4.400	40	5		JIBBRM
CCn1c(S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408634730	569985241	/nfs/dbraw/zinc/98/52/41/569985241.db2.gz	WZLRCXSCXPIKMH-NVMNQCDNSA-N	-1	0	456.480	4.108	40	5		JIBBRM
O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1[O-])C1(Cl)c3ccccc3C2(Cl)c2ccccc21	ZINC000408652898	569995191	/nfs/dbraw/zinc/99/51/91/569995191.db2.gz	INXWUVPPVMOFKQ-CSKPTYFESA-N	-1	0	481.291	4.398	40	5		JIBBRM
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)cc(Br)c1[O-]	ZINC000408841212	570053685	/nfs/dbraw/zinc/05/36/85/570053685.db2.gz	DCFCMGUOQBSOPN-AWNIVKPZSA-N	-1	0	468.057	4.170	40	5		JIBBRM
Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000408908768	570071661	/nfs/dbraw/zinc/07/16/61/570071661.db2.gz	YOMPFXMYLDYVKR-UHFFFAOYSA-N	-1	0	475.548	4.122	40	5		JIBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000408927342	570078948	/nfs/dbraw/zinc/07/89/48/570078948.db2.gz	ZOVBZGYCPMBSMQ-UHFFFAOYSA-N	-1	0	455.492	4.273	40	5		JIBBRM
O=C([O-])CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O	ZINC000409127295	570138561	/nfs/dbraw/zinc/13/85/61/570138561.db2.gz	QLZNRFFUHOQSPM-RGVLZGJSSA-N	-1	0	464.455	4.448	40	5		JIBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409159466	570151575	/nfs/dbraw/zinc/15/15/75/570151575.db2.gz	ZZIWFECTJSYMAL-PXNMLYILSA-N	-1	0	477.882	4.028	40	5		JIBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409170367	570154718	/nfs/dbraw/zinc/15/47/18/570154718.db2.gz	VODRIFOSFACHRD-SXGWCWSVSA-N	-1	0	477.882	4.028	40	5		JIBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1Cl	ZINC000020153202	526352841	/nfs/dbraw/zinc/35/28/41/526352841.db2.gz	NTEAINXPHAGGEW-UHFFFAOYSA-N	-1	0	462.915	4.064	40	5		JIBBRM
Cc1c(Cl)cccc1N1C(=O)[C@H]2C(C(=O)c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)C2=C1[O-]	ZINC000103769215	569837946	/nfs/dbraw/zinc/83/79/46/569837946.db2.gz	LKQQYCUEDOYGCC-RBBKRZOGSA-N	-1	0	488.887	4.174	40	5		JIBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000408705248	570024537	/nfs/dbraw/zinc/02/45/37/570024537.db2.gz	AKPOQUTWJYHRPI-UHFFFAOYSA-N	-1	0	481.939	4.158	40	5		JIBBRM
O=C([O-])[C@@H]1CS[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1	ZINC000408987087	570092733	/nfs/dbraw/zinc/09/27/33/570092733.db2.gz	AFSVFWWIFKXCDM-XHDPSFHLSA-N	-1	0	464.506	4.052	40	5		JIBBRM
O=C([O-])[C@H]1CS[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1	ZINC000408987083	570092755	/nfs/dbraw/zinc/09/27/55/570092755.db2.gz	AFSVFWWIFKXCDM-IAQYHMDHSA-N	-1	0	464.506	4.052	40	5		JIBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000034849398	569667234	/nfs/dbraw/zinc/66/72/34/569667234.db2.gz	YRYGNOVDZXPBHM-ZZXKWVIFSA-N	-1	0	464.261	4.449	40	5		JIBBRM
CCc1nc(SC(=Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)[O-])n[nH]1	ZINC000408631113	569982672	/nfs/dbraw/zinc/98/26/72/569982672.db2.gz	FBOYVSCHVZZFCZ-ZDLGFXPLSA-N	-1	0	456.480	4.081	40	5		JIBBRM
O=C([O-])[C@@H]1CS[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1	ZINC000408987085	570092710	/nfs/dbraw/zinc/09/27/10/570092710.db2.gz	AFSVFWWIFKXCDM-NHYWBVRUSA-N	-1	0	464.506	4.052	40	5		JIBBRM
Cc1c(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000409135097	570141887	/nfs/dbraw/zinc/14/18/87/570141887.db2.gz	UHRRXESAHAXZEX-VXLYETTFSA-N	-1	0	451.460	4.027	40	5		JIBBRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c(OC)c1	ZINC000408563120	570202105	/nfs/dbraw/zinc/20/21/05/570202105.db2.gz	IYAPUYKOSKSKNF-UHFFFAOYSA-N	-1	0	491.909	4.319	40	5		JIBBRM
Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1	ZINC000408703077	570022967	/nfs/dbraw/zinc/02/29/67/570022967.db2.gz	MQMBRTBCLJYJAE-UHFFFAOYSA-N	-1	0	475.548	4.122	40	5		JIBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O	ZINC000409147706	570147813	/nfs/dbraw/zinc/14/78/13/570147813.db2.gz	VUMJYFADXDYWDT-LZYBPNLTSA-N	-1	0	493.291	4.057	40	5		JIBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1	ZINC000409327360	570202514	/nfs/dbraw/zinc/20/25/14/570202514.db2.gz	SNRNUXXDXRERDW-VURMDHGXSA-N	-1	0	486.868	4.036	40	5		JIBBRM
CCOc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000016692996	520901997	/nfs/dbraw/zinc/90/19/97/520901997.db2.gz	ZDUXKWOIJZMAKR-UHFFFAOYSA-N	-1	0	458.279	4.125	40	5		JIBBRM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc4nc5ccccc5nc43)cc2)c1C	ZINC000033479165	526641286	/nfs/dbraw/zinc/64/12/86/526641286.db2.gz	GYBWZPQUVGQCFM-UHFFFAOYSA-N	-1	0	473.514	4.441	40	5		JIBBRM
CCOc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1[N+](=O)[O-]	ZINC000032116424	556423637	/nfs/dbraw/zinc/42/36/37/556423637.db2.gz	VWASKMJMUHLQRI-UHFFFAOYSA-N	-1	0	460.078	4.476	40	5		JIBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCCOc1ccc(C(C)(C)C)cc1	ZINC000033432657	569626358	/nfs/dbraw/zinc/62/63/58/569626358.db2.gz	FVNHEGQDAUHZGL-VZUCSPMQSA-N	-1	0	481.505	4.318	40	5		JIBBRM
CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1=O	ZINC000101203219	569787047	/nfs/dbraw/zinc/78/70/47/569787047.db2.gz	WGZWDBGGJLQTEJ-VABKMULXSA-N	-1	0	459.458	4.045	40	5		JIBBRM
O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000214984619	569877069	/nfs/dbraw/zinc/87/70/69/569877069.db2.gz	LBIKWMDLMOIOCA-LZYBPNLTSA-N	-1	0	493.291	4.057	40	5		JIBBRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)[O-])o1	ZINC000408630793	569982462	/nfs/dbraw/zinc/98/24/62/569982462.db2.gz	CSTYZBZQQQLVJA-WQRHYEAKSA-N	-1	0	457.464	4.346	40	5		JIBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)[O-])n[nH]2)c1	ZINC000408630808	569982551	/nfs/dbraw/zinc/98/25/51/569982551.db2.gz	BFUPJRHDGWROGL-NDENLUEZSA-N	-1	0	493.501	4.406	40	5		JIBBRM
CCn1c(S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408635138	569985537	/nfs/dbraw/zinc/98/55/37/569985537.db2.gz	ZFWQOIJYNVUXLG-NVMNQCDNSA-N	-1	0	456.480	4.108	40	5		JIBBRM
O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1[O-])C1(Cl)c3ccccc3C2(Cl)c2ccccc21	ZINC000408652909	569995183	/nfs/dbraw/zinc/99/51/83/569995183.db2.gz	IOAHIWWUYKKLRN-LMHXZZLNSA-N	-1	0	481.291	4.398	40	5		JIBBRM
O=C(CSc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1	ZINC000408989163	570093328	/nfs/dbraw/zinc/09/33/28/570093328.db2.gz	HDJSEBYMMKBEIJ-UTKZUKDTSA-N	-1	0	469.544	4.267	40	5		JIBBRM
CCOc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409187948	570160968	/nfs/dbraw/zinc/16/09/68/570160968.db2.gz	DMKCEDABSQEJHF-ODLFYWEKSA-N	-1	0	456.480	4.217	40	5		JIBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409224935	570175720	/nfs/dbraw/zinc/17/57/20/570175720.db2.gz	NZYBXIQDACKBMX-APSNUPSMSA-N	-1	0	495.872	4.167	40	5		JIBBRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000016385707	526346240	/nfs/dbraw/zinc/34/62/40/526346240.db2.gz	MFSILEFSHOMCCD-UHFFFAOYSA-N	-1	0	493.122	4.489	40	5		JIBBRM
C[C@@]12C[C@@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]12	ZINC000009186227	554958603	/nfs/dbraw/zinc/95/86/03/554958603.db2.gz	AODBAAYJCSXDOF-TUVLUGLVSA-N	-1	0	488.544	4.194	40	5		JIBBRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	ZINC000020153054	555671291	/nfs/dbraw/zinc/67/12/91/555671291.db2.gz	LWCIHGIUPMGPMO-UHFFFAOYSA-N	-1	0	462.915	4.064	40	5		JIBBRM
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000014404872	555807431	/nfs/dbraw/zinc/80/74/31/555807431.db2.gz	GDWSDYCLGKBSIR-UHFFFAOYSA-N	-1	0	491.529	4.450	40	5		JIBBRM
CCCCn1nc(C)c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C	ZINC000014405596	555807980	/nfs/dbraw/zinc/80/79/80/555807980.db2.gz	SMXUSBZBEFBQJY-UHFFFAOYSA-N	-1	0	471.539	4.261	40	5		JIBBRM
CC(C)(C)c1ccc(OCCOc2cccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])c2)cc1	ZINC000033646297	569629558	/nfs/dbraw/zinc/62/95/58/569629558.db2.gz	RUTZSXOPKTWHIO-KPKJPENVSA-N	-1	0	451.479	4.309	40	5		JIBBRM
CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1[N+](=O)[O-]	ZINC000085342894	569709835	/nfs/dbraw/zinc/70/98/35/569709835.db2.gz	UUOFFXLVSCAETM-UHFFFAOYSA-N	-1	0	458.279	4.125	40	5		JIBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCCSc1cccc2ccccc21	ZINC000107647939	569856839	/nfs/dbraw/zinc/85/68/39/569856839.db2.gz	LIVJUFMEDQTXEA-PKNBQFBNSA-N	-1	0	491.525	4.475	40	5		JIBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408631544	569983069	/nfs/dbraw/zinc/98/30/69/569983069.db2.gz	KEVRGCFEHDUDOU-PXNMLYILSA-N	-1	0	462.871	4.268	40	5		JIBBRM
O=c1/c(=C\c2cc([N+](=O)[O-])ccc2[O-])sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1	ZINC000408840276	570053531	/nfs/dbraw/zinc/05/35/31/570053531.db2.gz	DDAVJNJDPNSVHH-AQIZGWBQSA-N	-1	0	499.523	4.072	40	5		JIBBRM
O=c1[nH]c(C=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409326350	570202149	/nfs/dbraw/zinc/20/21/49/570202149.db2.gz	ASRKWZSYZGXPJN-FPYGCLRLSA-N	-1	0	489.238	4.216	40	5		JIBBRM
O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000033405871	527571767	/nfs/dbraw/zinc/57/17/67/527571767.db2.gz	CAHQPCBBYHCAHB-WTNMVAAHSA-N	-1	0	478.461	4.491	40	5		JIBBRM
O=[N+]([O-])c1ccc2c(c1)Cc1c-2cc(I)c([O-])c1I	ZINC000004964009	554484172	/nfs/dbraw/zinc/48/41/72/554484172.db2.gz	PMICNJGGSYOXMX-UHFFFAOYSA-N	-1	0	479.011	4.081	40	5		JIBBRM
Cc1ccc(C(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)cc1[N+](=O)[O-]	ZINC000032116660	556424507	/nfs/dbraw/zinc/42/45/07/556424507.db2.gz	DIDMSTHBJSKBOD-UHFFFAOYSA-N	-1	0	489.145	4.261	40	5		JIBBRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1	ZINC000408563786	570202326	/nfs/dbraw/zinc/20/23/26/570202326.db2.gz	PTTMTWAVILWIPN-UHFFFAOYSA-N	-1	0	491.909	4.319	40	5		JIBBRM
COc1cc(CN(c2ccccc2C(=O)[O-])S(=O)(=O)c2ccc(C)cc2)ccc1[N+](=O)[O-]	ZINC000001713716	194131855	/nfs/dbraw/zinc/13/18/55/194131855.db2.gz	BLQRPGCZNBRATA-UHFFFAOYSA-N	-1	0	456.476	4.006	40	5		JIBBRM
O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000008915563	554809573	/nfs/dbraw/zinc/80/95/73/554809573.db2.gz	MSGHTQFMJZREGQ-GJYPPUQNSA-N	-1	0	481.408	4.020	40	5		JIBBRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cc([N+](=O)[O-])ccc1Br	ZINC000032119004	556425997	/nfs/dbraw/zinc/42/59/97/556425997.db2.gz	LMRXYZKTDAQALA-UHFFFAOYSA-N	-1	0	465.112	4.497	40	5		JIBBRM
O=C([O-])CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000035529391	569700093	/nfs/dbraw/zinc/70/00/93/569700093.db2.gz	AVFZOZWSEAFFGO-HSZRJFAPSA-N	-1	0	489.484	4.305	40	5		JIBBRM
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000408706134	570024986	/nfs/dbraw/zinc/02/49/86/570024986.db2.gz	VTNXCKAVWKHYID-UHFFFAOYSA-N	-1	0	495.966	4.467	40	5		JIBBRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000408778354	570040771	/nfs/dbraw/zinc/04/07/71/570040771.db2.gz	FCWJMQOTXWOMSQ-YHTSIIMFSA-N	-1	0	450.314	4.225	40	5		JIBBRM
O=C1S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408917601	570075877	/nfs/dbraw/zinc/07/58/77/570075877.db2.gz	YFKCHYPERKCAPS-MKMNVTDBSA-N	-1	0	480.252	4.208	40	5		JIBBRM
COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409156353	570150757	/nfs/dbraw/zinc/15/07/57/570150757.db2.gz	SAVMMYGDYISFRF-OVCLIPMQSA-N	-1	0	465.281	4.308	40	5		JIBBRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000408563358	570202243	/nfs/dbraw/zinc/20/22/43/570202243.db2.gz	VLILWFPEIZSRDC-UHFFFAOYSA-N	-1	0	458.268	4.227	40	5		JIBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC000020153266	555672100	/nfs/dbraw/zinc/67/21/00/555672100.db2.gz	LEISJHYNVZHIAJ-UHFFFAOYSA-N	-1	0	476.942	4.310	40	5		JIBBRM
O=C1S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000035341102	569681454	/nfs/dbraw/zinc/68/14/54/569681454.db2.gz	BNIFZGSLANTCEP-VGOFMYFVSA-N	-1	0	480.252	4.208	40	5		JIBBRM
O=C(Nc1nnc(-c2ccccc2)s1)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000039749772	569811268	/nfs/dbraw/zinc/81/12/68/569811268.db2.gz	XSWUFHQAECHZAU-UHFFFAOYSA-N	-1	0	481.515	4.166	40	5		JIBBRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])cc(Br)c3[O-])C2=O)cc1	ZINC000111507837	569860999	/nfs/dbraw/zinc/86/09/99/569860999.db2.gz	BITBMIXUKTYQMP-CHHVJCJISA-N	-1	0	492.307	4.046	40	5		JIBBRM
O=C1S/C(=C\c2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	ZINC000408806324	570047581	/nfs/dbraw/zinc/04/75/81/570047581.db2.gz	AKTPBDYTUNQKLD-JYRVWZFOSA-N	-1	0	468.228	4.146	40	5		JIBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409152630	570149497	/nfs/dbraw/zinc/14/94/97/570149497.db2.gz	KPXUWXYNMLPRAE-MFOYZWKCSA-N	-1	0	489.531	4.096	40	5		JIBBRM
O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1ccc([O-])c([N+](=O)[O-])c1	ZINC000261361553	570167161	/nfs/dbraw/zinc/16/71/61/570167161.db2.gz	AAADGXCBSVWRSN-OAQYLSRUSA-O	-1	0	460.495	4.015	40	5		JIBBRM
COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)cc([N+](=O)[O-])c1[O-]	ZINC000261366156	570169405	/nfs/dbraw/zinc/16/94/05/570169405.db2.gz	XQXPFTOFNFECOQ-JOCHJYFZSA-O	-1	0	490.521	4.024	40	5		JIBBRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c(OC)c1	ZINC000408577216	570206138	/nfs/dbraw/zinc/20/61/38/570206138.db2.gz	XHQDZRCQWKPKON-UHFFFAOYSA-N	-1	0	491.909	4.319	40	5		JIBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106738717	569855325	/nfs/dbraw/zinc/85/53/25/569855325.db2.gz	WYDCTBVFGUIZGX-ZWSORDCHSA-N	-1	0	478.866	4.318	40	5		JIBBRM
Cc1c([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cccc1[N+](=O)[O-]	ZINC000224482829	569945886	/nfs/dbraw/zinc/94/58/86/569945886.db2.gz	DWVXOVBTMQYOHT-UHFFFAOYSA-N	-1	0	488.334	4.115	40	5		JIBBRM
O=C([O-])COc1c(Br)cc(Br)cc1CNc1ccc([N+](=O)[O-])cc1	ZINC000408608042	569971629	/nfs/dbraw/zinc/97/16/29/569971629.db2.gz	MFDRFDRPBBWDNU-UHFFFAOYSA-N	-1	0	460.078	4.195	40	5		JIBBRM
O=C([O-])/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408631750	569983221	/nfs/dbraw/zinc/98/32/21/569983221.db2.gz	BNTPDZIIQXDEAP-PDGQHHTCSA-N	-1	0	488.909	4.353	40	5		JIBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)[O-])n[nH]2)c1	ZINC000408633764	569984662	/nfs/dbraw/zinc/98/46/62/569984662.db2.gz	PBFCBOKVYKKPJM-NDENLUEZSA-N	-1	0	493.501	4.406	40	5		JIBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1	ZINC000408706200	570025085	/nfs/dbraw/zinc/02/50/85/570025085.db2.gz	XBCSEVRMPNUCIV-UHFFFAOYSA-N	-1	0	475.548	4.122	40	5		JIBBRM
COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c1[O-]	ZINC000408868184	570058690	/nfs/dbraw/zinc/05/86/90/570058690.db2.gz	NXMYRRZUFLNHBG-UUASQNMZSA-N	-1	0	497.407	4.003	40	5		JIBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1Cl	ZINC000020153216	555671821	/nfs/dbraw/zinc/67/18/21/555671821.db2.gz	WPNGWYNZTGXAGN-UHFFFAOYSA-N	-1	0	462.915	4.064	40	5		JIBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2ccc(Br)cc2)o1	ZINC000014270320	555762173	/nfs/dbraw/zinc/76/21/73/555762173.db2.gz	VHTBQDBBNHIZFB-UHFFFAOYSA-N	-1	0	462.281	4.450	40	5		JIBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000039761020	569811675	/nfs/dbraw/zinc/81/16/75/569811675.db2.gz	MORMZVPSZJZCLA-UHFFFAOYSA-N	-1	0	495.542	4.475	40	5		JIBBRM
Cn1c2ccccc2c([O-])c(C(=O)C[C@@H](Nc2cccc([N+](=O)[O-])c2)c2ccc3c(c2)OCO3)c1=O	ZINC000104827732	569846579	/nfs/dbraw/zinc/84/65/79/569846579.db2.gz	JRXHFKVJZLJHRD-LJQANCHMSA-N	-1	0	487.468	4.307	40	5		JIBBRM
COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106724560	569855115	/nfs/dbraw/zinc/85/51/15/569855115.db2.gz	IOXVNPOHKQQYJH-NVNXTCNLSA-N	-1	0	465.281	4.308	40	5		JIBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cc([N+](=O)[O-])ccc3N3CCCC3)C(=O)[O-])n[nH]2)c1	ZINC000408630825	569982579	/nfs/dbraw/zinc/98/25/79/569982579.db2.gz	BJPPTLNUXHSRFX-UDWIEESQSA-N	-1	0	497.533	4.215	40	5		JIBBRM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409137404	570142886	/nfs/dbraw/zinc/14/28/86/570142886.db2.gz	WGIYLPWGNQVXIT-LZYBPNLTSA-N	-1	0	493.291	4.057	40	5		JIBBRM
CC(C)(C)c1ccc(OCCOc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1	ZINC000034718974	569652318	/nfs/dbraw/zinc/65/23/18/569652318.db2.gz	OWBFNZGJCLLWID-AWNIVKPZSA-N	-1	0	451.479	4.309	40	5		JIBBRM
CCc1nc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408631117	569982723	/nfs/dbraw/zinc/98/27/23/569982723.db2.gz	FCBKQWQOIRRXIZ-WQRHYEAKSA-N	-1	0	456.480	4.081	40	5		JIBBRM
COc1cc([N+](=O)[O-])cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c1OC	ZINC000408633230	569984276	/nfs/dbraw/zinc/98/42/76/569984276.db2.gz	JEDRKSRQGMVYOB-OVCLIPMQSA-N	-1	0	462.871	4.268	40	5		JIBBRM
Cn1c(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl	ZINC000409158789	570151292	/nfs/dbraw/zinc/15/12/92/570151292.db2.gz	LSTYBJPEKYRUTP-UHFFFAOYSA-N	-1	0	454.295	4.134	40	5		JIBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016384224	526343158	/nfs/dbraw/zinc/34/31/58/526343158.db2.gz	APXPGWCSXOVBAL-QHHAFSJGSA-N	-1	0	484.715	4.235	40	5		JIBBRM
O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000001839696	553994469	/nfs/dbraw/zinc/99/44/69/553994469.db2.gz	MSGHTQFMJZREGQ-BXWFABGCSA-N	-1	0	481.408	4.020	40	5		JIBBRM
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000108093732	569858582	/nfs/dbraw/zinc/85/85/82/569858582.db2.gz	SXBKBOJMHLOBOX-UHFFFAOYSA-N	-1	0	481.939	4.158	40	5		JIBBRM
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1[O-])C1(Cl)c3ccccc3C2(Cl)c2ccccc21	ZINC000408652906	569995203	/nfs/dbraw/zinc/99/52/03/569995203.db2.gz	IOAHIWWUYKKLRN-CSKPTYFESA-N	-1	0	481.291	4.398	40	5		JIBBRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C	ZINC000408906551	570070868	/nfs/dbraw/zinc/07/08/68/570070868.db2.gz	HEBFHCOLHLPQGH-UHFFFAOYSA-N	-1	0	475.548	4.122	40	5		JIBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1	ZINC000020153253	555672073	/nfs/dbraw/zinc/67/20/73/555672073.db2.gz	YSXBASIKLIUECP-UHFFFAOYSA-N	-1	0	476.942	4.310	40	5		JIBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1[N+](=O)[O-]	ZINC000016124696	556126874	/nfs/dbraw/zinc/12/68/74/556126874.db2.gz	ITXGBVQGJITQFR-UHFFFAOYSA-N	-1	0	481.939	4.158	40	5		JIBBRM
Cc1cc(C(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)ccc1[N+](=O)[O-]	ZINC000032116391	556423239	/nfs/dbraw/zinc/42/32/39/556423239.db2.gz	AXGMHOXEKPIEHD-UHFFFAOYSA-N	-1	0	489.145	4.261	40	5		JIBBRM
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000215065785	569877172	/nfs/dbraw/zinc/87/71/72/569877172.db2.gz	QEAYLGMQEFOHLD-OVCLIPMQSA-N	-1	0	465.281	4.308	40	5		JIBBRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000408924597	570078155	/nfs/dbraw/zinc/07/81/55/570078155.db2.gz	KOAVQPDVBOGTAD-LHHJGKSTSA-N	-1	0	483.502	4.065	40	5		JIBBRM
O=C(CSc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1	ZINC000408989165	570093402	/nfs/dbraw/zinc/09/34/02/570093402.db2.gz	HDJSEBYMMKBEIJ-UWJYYQICSA-N	-1	0	469.544	4.267	40	5		JIBBRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1	ZINC000408562553	570201859	/nfs/dbraw/zinc/20/18/59/570201859.db2.gz	AVNDVPVIMPAEEQ-UHFFFAOYSA-N	-1	0	491.909	4.319	40	5		JIBBRM
CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(Cl)c(C(=O)[O-])c3)cc2[N+](=O)[O-])CC1	ZINC000020153090	555671573	/nfs/dbraw/zinc/67/15/73/555671573.db2.gz	HDSQAYSMDWEXKD-UHFFFAOYSA-N	-1	0	476.942	4.310	40	5		JIBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)CC1	ZINC000020153249	555672094	/nfs/dbraw/zinc/67/20/94/555672094.db2.gz	PACQPXBKENCRBR-UHFFFAOYSA-N	-1	0	476.942	4.310	40	5		JIBBRM
CCCCn1nc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1C	ZINC000014405303	555807620	/nfs/dbraw/zinc/80/76/20/555807620.db2.gz	DIRFXDWUJIOLIG-UHFFFAOYSA-N	-1	0	471.539	4.261	40	5		JIBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000408924729	570078148	/nfs/dbraw/zinc/07/81/48/570078148.db2.gz	LVSGMXCNVSUMST-UHFFFAOYSA-N	-1	0	455.492	4.273	40	5		JIBBRM
O=C([O-])CCC(=O)N1N=C2/C(=C\c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000033405873	527571341	/nfs/dbraw/zinc/57/13/41/527571341.db2.gz	QHJGUECEBZVYJY-UQESYKPISA-N	-1	0	478.461	4.491	40	5		JIBBRM
O=C([O-])[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000012351531	527648424	/nfs/dbraw/zinc/64/84/24/527648424.db2.gz	BBSAAJIMRIRWEU-OAQYLSRUSA-N	-1	0	477.429	4.037	40	5		JIBBRM
CCCCn1nc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)c1C	ZINC000014405447	555807966	/nfs/dbraw/zinc/80/79/66/555807966.db2.gz	BYQCOPVOMAJDOH-UHFFFAOYSA-N	-1	0	471.539	4.261	40	5		JIBBRM
C[C@@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1	ZINC000100574065	569764983	/nfs/dbraw/zinc/76/49/83/569764983.db2.gz	RADGSAFFTXGRGW-ZOJNDGCKSA-N	-1	0	457.482	4.400	40	5		JIBBRM
CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1=O	ZINC000101203223	569787033	/nfs/dbraw/zinc/78/70/33/569787033.db2.gz	WGZWDBGGJLQTEJ-ZRBLBEILSA-N	-1	0	459.458	4.045	40	5		JIBBRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000107972523	569858173	/nfs/dbraw/zinc/85/81/73/569858173.db2.gz	WXNBQIAGWASYQV-UHFFFAOYSA-N	-1	0	481.939	4.158	40	5		JIBBRM
CCn1c(S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634422	569985166	/nfs/dbraw/zinc/98/51/66/569985166.db2.gz	QZQMQUUTSPXLAW-IUXPMGMMSA-N	-1	0	474.882	4.473	40	5		JIBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccccc2F)[nH]1	ZINC000409324332	570201810	/nfs/dbraw/zinc/20/18/10/570201810.db2.gz	SBVPIUSCHNWRFZ-FNORWQNLSA-N	-1	0	462.231	4.447	40	5		JIBBRM
CC1CCN(c2ccc(C(=O)NC(=S)Nc3cc(C(=O)[O-])ccc3Cl)cc2[N+](=O)[O-])CC1	ZINC000020153087	521039076	/nfs/dbraw/zinc/03/90/76/521039076.db2.gz	GMVVFEPEPDXOTA-UHFFFAOYSA-N	-1	0	476.942	4.310	40	5		JIBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(Cl)cc1Cl	ZINC000020153164	526353064	/nfs/dbraw/zinc/35/30/64/526353064.db2.gz	ZSISMHIWSPRVPW-UHFFFAOYSA-N	-1	0	483.333	4.327	40	5		JIBBRM
CCn1c(S/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408633512	569984533	/nfs/dbraw/zinc/98/45/33/569984533.db2.gz	NSFKMMXSQUNRJW-OCKHKDLRSA-N	-1	0	486.506	4.117	40	5		JIBBRM
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1[O-])C1(Cl)c3ccccc3C2(Cl)c2ccccc21	ZINC000408652911	569995201	/nfs/dbraw/zinc/99/52/01/569995201.db2.gz	IOAHIWWUYKKLRN-TUUBTQOTSA-N	-1	0	481.291	4.398	40	5		JIBBRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1Cl	ZINC000408705386	570024542	/nfs/dbraw/zinc/02/45/42/570024542.db2.gz	DODHCXQZURCIFH-UHFFFAOYSA-N	-1	0	495.966	4.467	40	5		JIBBRM
O=c1[nH]c(-c2cc(I)c([O-])c([N+](=O)[O-])c2)nc2sc3c(c21)CCCC3	ZINC000408734114	570029840	/nfs/dbraw/zinc/02/98/40/570029840.db2.gz	DDALPBIPCMPXIQ-UHFFFAOYSA-N	-1	0	469.260	4.161	40	5		JIBBRM
O=c1/c(=C\c2cc([N+](=O)[O-])ccc2[O-])sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1	ZINC000408840279	570053540	/nfs/dbraw/zinc/05/35/40/570053540.db2.gz	DDAVJNJDPNSVHH-ZDGAQAAHSA-N	-1	0	499.523	4.072	40	5		JIBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000009062416	554879919	/nfs/dbraw/zinc/87/99/19/554879919.db2.gz	YHQCEDKLQXKBKO-UHFFFAOYSA-N	-1	0	479.474	4.006	40	5		JIBBRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014270374	555762583	/nfs/dbraw/zinc/76/25/83/555762583.db2.gz	KZQBNDRNJYUQLA-UHFFFAOYSA-N	-1	0	455.323	4.334	40	5		JIBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc21	ZINC000033700614	569631065	/nfs/dbraw/zinc/63/10/65/569631065.db2.gz	IFDYRNZWJYIFIP-ZRDIBKRKSA-N	-1	0	473.441	4.325	40	5		JIBBRM
O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=C(O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1	ZINC000102697792	569816070	/nfs/dbraw/zinc/81/60/70/569816070.db2.gz	GGFOEEAMEYXTMC-BBTUJRGHSA-N	-1	0	493.369	4.098	40	5		JIBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000224644396	569952052	/nfs/dbraw/zinc/95/20/52/569952052.db2.gz	UHXUGFNZRVCCNC-UHFFFAOYSA-N	-1	0	488.334	4.115	40	5		JIBBRM
CCN(CC)c1ccc([N+](=O)[O-])cc1C=C(Sc1n[nH]c(-c2cc(OC)cc(OC)c2)n1)C(=O)[O-]	ZINC000408631592	569983095	/nfs/dbraw/zinc/98/30/95/569983095.db2.gz	FUYKTUQKJGXOMZ-UDWIEESQSA-N	-1	0	499.549	4.461	40	5		JIBBRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000408778353	570040848	/nfs/dbraw/zinc/04/08/48/570040848.db2.gz	FCWJMQOTXWOMSQ-IDGGIGOKSA-N	-1	0	450.314	4.225	40	5		JIBBRM
O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc([O-])c([N+](=O)[O-])c1	ZINC000261361532	570167287	/nfs/dbraw/zinc/16/72/87/570167287.db2.gz	AAADGXCBSVWRSN-NRFANRHFSA-O	-1	0	460.495	4.015	40	5		JIBBRM
CCn1c(S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408635074	195483143	/nfs/dbraw/zinc/48/31/43/195483143.db2.gz	YNWSDCWVLXJOMW-DJKKODMXSA-N	-1	0	470.507	4.417	40	5		JIBBRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1C	ZINC000014396787	555802511	/nfs/dbraw/zinc/80/25/11/555802511.db2.gz	JPNRHARRYRGBEW-UHFFFAOYSA-N	-1	0	475.548	4.122	40	5		JIBBRM
CCOc1cc(C=C(Sc2n[nH]c(CC)n2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408631201	569982837	/nfs/dbraw/zinc/98/28/37/569982837.db2.gz	GBCVALAJCJAFNM-UNOMPAQXSA-N	-1	0	470.507	4.471	40	5		JIBBRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000408777439	570040542	/nfs/dbraw/zinc/04/05/42/570040542.db2.gz	ZHMVFFJFHWDNDI-IDGGIGOKSA-N	-1	0	497.314	4.067	40	5		JIBBRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1	ZINC000408905988	570070696	/nfs/dbraw/zinc/07/06/96/570070696.db2.gz	BVDOWJUURQJQGX-UHFFFAOYSA-N	-1	0	491.909	4.319	40	5		JIBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000020153208	521837233	/nfs/dbraw/zinc/83/72/33/521837233.db2.gz	KVBYNAIDTHMLJG-UHFFFAOYSA-N	-1	0	492.941	4.072	40	5		JIBBRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c(C)c1	ZINC000014397311	555802921	/nfs/dbraw/zinc/80/29/21/555802921.db2.gz	MBTIEAGIHWMAKK-UHFFFAOYSA-N	-1	0	475.548	4.122	40	5		JIBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1	ZINC000032690727	556470835	/nfs/dbraw/zinc/47/08/35/556470835.db2.gz	BOTVTVFBXYKSLN-WAYWQWQTSA-N	-1	0	492.257	4.043	40	5		JIBBRM
O=C([O-])C(=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634585	569985271	/nfs/dbraw/zinc/98/52/71/569985271.db2.gz	RYOXOSBOTOAXPL-PDGQHHTCSA-N	-1	0	487.925	4.088	40	5		JIBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	ZINC000408702843	570022848	/nfs/dbraw/zinc/02/28/48/570022848.db2.gz	HUGPKNQYUQFVAG-UHFFFAOYSA-N	-1	0	481.939	4.158	40	5		JIBBRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1	ZINC000408921066	570077253	/nfs/dbraw/zinc/07/72/53/570077253.db2.gz	CJKCCCNXJIXQIH-UHFFFAOYSA-N	-1	0	475.548	4.122	40	5		JIBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000409313134	570199521	/nfs/dbraw/zinc/19/95/21/570199521.db2.gz	HPDCCFUBQHXRBI-DUXPYHPUSA-N	-1	0	467.478	4.097	40	5		JIBBRM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]S(=O)(=O)c2ccc(Br)cc2)c2ccccc21	ZINC000005395373	554489780	/nfs/dbraw/zinc/48/97/80/554489780.db2.gz	HRYLOGYMMHKSGH-UHFFFAOYSA-N	-1	0	452.242	4.220	40	5		JIBBRM
COc1ccc(S(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C)c(C)c2[O-])cc1	ZINC000026786998	556263285	/nfs/dbraw/zinc/26/32/85/556263285.db2.gz	BQDDUEGOXCLPQK-UHFFFAOYSA-N	-1	0	456.476	4.011	40	5		JIBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1c(F)cccc1Cl	ZINC000033404153	569625845	/nfs/dbraw/zinc/62/58/45/569625845.db2.gz	BQBIDPSNHCGSFG-SOFGYWHQSA-N	-1	0	461.833	4.324	40	5		JIBBRM
CC(C)(C)c1ccc(OCCOc2ccccc2C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000033458749	569626663	/nfs/dbraw/zinc/62/66/63/569626663.db2.gz	YPLLOTORVFOPPM-MDWZMJQESA-N	-1	0	451.479	4.309	40	5		JIBBRM
Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(C(=O)c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)C2=C1[O-]	ZINC000103769211	569837891	/nfs/dbraw/zinc/83/78/91/569837891.db2.gz	LKQQYCUEDOYGCC-IRLDBZIGSA-N	-1	0	488.887	4.174	40	5		JIBBRM
Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c([N-]c2c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C)c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000104066407	569840300	/nfs/dbraw/zinc/84/03/00/569840300.db2.gz	KLRUMXLUOGELHG-UHFFFAOYSA-N	-1	0	495.317	4.113	40	5		JIBBRM
O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O)Nc1ccccc1Cl	ZINC000409243320	570182961	/nfs/dbraw/zinc/18/29/61/570182961.db2.gz	XNVGMTWVFNCMBD-MKMNVTDBSA-N	-1	0	468.274	4.282	40	5		JIBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(Cl)cc1Cl	ZINC000020153335	555672405	/nfs/dbraw/zinc/67/24/05/555672405.db2.gz	HSGLTDUBVCWJAE-UHFFFAOYSA-N	-1	0	483.333	4.327	40	5		JIBBRM
C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1	ZINC000100574064	569764988	/nfs/dbraw/zinc/76/49/88/569764988.db2.gz	RADGSAFFTXGRGW-VNAWGFGGSA-N	-1	0	457.482	4.400	40	5		JIBBRM
CCn1c(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631492	569982979	/nfs/dbraw/zinc/98/29/79/569982979.db2.gz	FFQWADAMPVSJDN-CXUHLZMHSA-N	-1	0	476.898	4.459	40	5		JIBBRM
O=C([O-])CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O	ZINC000409130181	570139780	/nfs/dbraw/zinc/13/97/80/570139780.db2.gz	KOLNDMSLNZHVFR-RGVLZGJSSA-N	-1	0	464.455	4.448	40	5		JIBBRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1	ZINC000020153198	526370474	/nfs/dbraw/zinc/37/04/74/526370474.db2.gz	WZHGGFHJZDFQCR-UHFFFAOYSA-N	-1	0	462.915	4.064	40	5		JIBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1	ZINC000026120338	556248795	/nfs/dbraw/zinc/24/87/95/556248795.db2.gz	WXILAKMAWZIDIF-UHFFFAOYSA-N	-1	0	479.580	4.142	40	5		JIBBRM
Cn1c2ccccc2c([O-])c(C(=O)C[C@H](Nc2cccc([N+](=O)[O-])c2)c2ccc3c(c2)OCO3)c1=O	ZINC000104827729	569846503	/nfs/dbraw/zinc/84/65/03/569846503.db2.gz	JRXHFKVJZLJHRD-IBGZPJMESA-N	-1	0	487.468	4.307	40	5		JIBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C(=O)[O-])o1	ZINC000408631668	569983134	/nfs/dbraw/zinc/98/31/34/569983134.db2.gz	GDMVSLBMGHBZPU-GIDUJCDVSA-N	-1	0	479.854	4.239	40	5		JIBBRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409129045	570139334	/nfs/dbraw/zinc/13/93/34/570139334.db2.gz	LQYDWUCRJWEJOF-RQZCQDPDSA-N	-1	0	492.893	4.347	40	5		JIBBRM
O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2ccccc2)c1C(=O)c1ccccc1	ZINC000016491773	526410695	/nfs/dbraw/zinc/41/06/95/526410695.db2.gz	LVIYMVCEQRCJEY-UHFFFAOYSA-N	-1	0	458.386	4.285	40	5		JIBBRM
COc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1	ZINC000013811339	555627756	/nfs/dbraw/zinc/62/77/56/555627756.db2.gz	XFTLROUOYLTKNN-FKBYEOEOSA-N	-1	0	497.866	4.447	40	5		JIBBRM
Cc1c(C(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)cccc1[N+](=O)[O-]	ZINC000032116504	556423862	/nfs/dbraw/zinc/42/38/62/556423862.db2.gz	NHMKTSIWMKOHFA-UHFFFAOYSA-N	-1	0	489.145	4.261	40	5		JIBBRM
CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408631605	569983126	/nfs/dbraw/zinc/98/31/26/569983126.db2.gz	KSARKMQXXUPITD-ODLFYWEKSA-N	-1	0	457.464	4.482	40	5		JIBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)[O-])n[nH]1	ZINC000408632814	569984064	/nfs/dbraw/zinc/98/40/64/569984064.db2.gz	SZXZYVMSXIGIME-FRKPEAEDSA-N	-1	0	492.897	4.277	40	5		JIBBRM
CCc1nnc(S/C(=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)[O-])o1	ZINC000408633460	569984563	/nfs/dbraw/zinc/98/45/63/569984563.db2.gz	YSJGYXLZVIAYMI-ZDLGFXPLSA-N	-1	0	457.464	4.346	40	5		JIBBRM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408874857	570060958	/nfs/dbraw/zinc/06/09/58/570060958.db2.gz	DMXIVHLDFOBWMX-CHHVJCJISA-N	-1	0	497.407	4.003	40	5		JIBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408921046	570077249	/nfs/dbraw/zinc/07/72/49/570077249.db2.gz	BVKJJVKLDGZCTD-MKMNVTDBSA-N	-1	0	467.503	4.365	40	5		JIBBRM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O	ZINC000409145622	570146781	/nfs/dbraw/zinc/14/67/81/570146781.db2.gz	QLKKBDFUQJVGGL-LZYBPNLTSA-N	-1	0	493.291	4.057	40	5		JIBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1[N+](=O)[O-]	ZINC000409167762	570153896	/nfs/dbraw/zinc/15/38/96/570153896.db2.gz	MUYBRDJXKDHXDF-UHFFFAOYSA-N	-1	0	481.939	4.158	40	5		JIBBRM
CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000261361955	570167423	/nfs/dbraw/zinc/16/74/23/570167423.db2.gz	FBMADJPGCWFXCH-OAQYLSRUSA-O	-1	0	484.558	4.404	40	5		JIBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000409320860	570201086	/nfs/dbraw/zinc/20/10/86/570201086.db2.gz	FQBNHRDEBUNEME-XVNBXDOJSA-N	-1	0	489.238	4.216	40	5		JIBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000020153058	555671566	/nfs/dbraw/zinc/67/15/66/555671566.db2.gz	HQKIHXQLISNNNJ-UHFFFAOYSA-N	-1	0	492.941	4.072	40	5		JIBBRM
COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3cccc([N+](=O)[O-])c3)cc(C)c2[O-])cc1	ZINC000026787008	556263266	/nfs/dbraw/zinc/26/32/66/556263266.db2.gz	GGTNHOFAQVQHOQ-UHFFFAOYSA-N	-1	0	456.476	4.011	40	5		JIBBRM
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000033728591	569632232	/nfs/dbraw/zinc/63/22/32/569632232.db2.gz	NTXWXBABFSTSGK-UHFFFAOYSA-N	-1	0	481.939	4.158	40	5		JIBBRM
O=C(CSc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1	ZINC000408989161	570093359	/nfs/dbraw/zinc/09/33/59/570093359.db2.gz	HDJSEBYMMKBEIJ-LAUBAEHRSA-N	-1	0	469.544	4.267	40	5		JIBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000408562862	570201972	/nfs/dbraw/zinc/20/19/72/570201972.db2.gz	GEOROVZBINUINN-UHFFFAOYSA-N	-1	0	455.492	4.273	40	5		JIBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409329311	570203326	/nfs/dbraw/zinc/20/33/26/570203326.db2.gz	DMZRNSBZEQNDPY-ODLFYWEKSA-N	-1	0	485.518	4.498	40	5		JIBBRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)n1	ZINC000004773083	524592037	/nfs/dbraw/zinc/59/20/37/524592037.db2.gz	BFEFJXPKHRJDDG-UHFFFAOYSA-N	-1	0	476.902	4.100	40	5		JIBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000016399971	526343390	/nfs/dbraw/zinc/34/33/90/526343390.db2.gz	QDIWESHDOALFPC-UHFFFAOYSA-N	-1	0	490.291	4.442	40	5		JIBBRM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000102756971	569821337	/nfs/dbraw/zinc/82/13/37/569821337.db2.gz	JOMCFRDCHSYCOG-BHIFYINESA-N	-1	0	495.875	4.014	40	5		JIBBRM
CCCc1nc(SC(=Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)[O-])n[nH]1	ZINC000408631433	569983001	/nfs/dbraw/zinc/98/30/01/569983001.db2.gz	IUTBGPDZVGWWNC-ODLFYWEKSA-N	-1	0	470.507	4.471	40	5		JIBBRM
O=C([O-])[C@H]1CS[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1	ZINC000408987081	570092697	/nfs/dbraw/zinc/09/26/97/570092697.db2.gz	AFSVFWWIFKXCDM-ABAIWWIYSA-N	-1	0	464.506	4.052	40	5		JIBBRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409232316	570178305	/nfs/dbraw/zinc/17/83/05/570178305.db2.gz	NWDQMWSVDYEYLY-CXUHLZMHSA-N	-1	0	477.882	4.028	40	5		JIBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1[O-]	ZINC000409232618	570178488	/nfs/dbraw/zinc/17/84/88/570178488.db2.gz	RTRBBTFKKZNOMU-LZYBPNLTSA-N	-1	0	477.882	4.028	40	5		JIBBRM
O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000096401697	130078414	/nfs/dbraw/zinc/07/84/14/130078414.db2.gz	CAHQPCBBYHCAHB-RWRBZCLOSA-N	-1	0	478.461	4.491	40	5		JIBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1	ZINC000014401760	555806833	/nfs/dbraw/zinc/80/68/33/555806833.db2.gz	UGEWINXLCOCYCJ-UHFFFAOYSA-N	-1	0	481.939	4.158	40	5		JIBBRM
O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000215257221	569877293	/nfs/dbraw/zinc/87/72/93/569877293.db2.gz	NAFAAHUDCKPBKL-LZYBPNLTSA-N	-1	0	493.291	4.057	40	5		JIBBRM
Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000408599984	569968261	/nfs/dbraw/zinc/96/82/61/569968261.db2.gz	QGFLMFYXNUCALY-UHFFFAOYSA-N	-1	0	484.321	4.046	40	5		JIBBRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000408777440	570040524	/nfs/dbraw/zinc/04/05/24/570040524.db2.gz	ZHMVFFJFHWDNDI-YHTSIIMFSA-N	-1	0	497.314	4.067	40	5		JIBBRM
O=C(CSc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1	ZINC000408989158	570093341	/nfs/dbraw/zinc/09/33/41/570093341.db2.gz	HDJSEBYMMKBEIJ-DYESRHJHSA-N	-1	0	469.544	4.267	40	5		JIBBRM
Cc1nnc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[O-])[nH]1	ZINC000409190607	570161766	/nfs/dbraw/zinc/16/17/66/570161766.db2.gz	SSUBUXAWHQAJLO-AUWJEWJLSA-N	-1	0	451.258	4.262	40	5		JIBBRM
COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)cc([N+](=O)[O-])c1[O-]	ZINC000261366157	570169335	/nfs/dbraw/zinc/16/93/35/570169335.db2.gz	XQXPFTOFNFECOQ-QFIPXVFZSA-O	-1	0	490.521	4.024	40	5		JIBBRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c(OC)c1	ZINC000408569725	570204492	/nfs/dbraw/zinc/20/44/92/570204492.db2.gz	XFXIQDMVFYEMLQ-UHFFFAOYSA-N	-1	0	491.909	4.319	40	5		JIBBRM