smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426769469 1126089526 /nfs/dbraw/zinc/08/95/26/1126089526.db2.gz JFHLPBPPQVFBSX-INIZCTEOSA-N 0 0 387.367 3.009 10 5 GGBERN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000426811934 1126091944 /nfs/dbraw/zinc/09/19/44/1126091944.db2.gz OXRCKGCDBKZKFQ-HNNXBMFYSA-N 0 0 398.337 3.321 10 5 GGBERN COc1c(C)cc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1C ZINC000756380523 1126108050 /nfs/dbraw/zinc/10/80/50/1126108050.db2.gz RSUHYNDGKVXMSJ-LJQANCHMSA-N 0 0 397.431 3.487 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nc2c1 ZINC001197298278 1126154112 /nfs/dbraw/zinc/15/41/12/1126154112.db2.gz WBKUEFYLEQLHAY-DOTOQJQBSA-N 0 0 394.353 3.095 10 5 GGBERN O=[N+]([O-])c1ccc2oc(CN[C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nc2c1 ZINC001308037759 1126162378 /nfs/dbraw/zinc/16/23/78/1126162378.db2.gz GCUWMEAWBNFEFC-RHSMWYFYSA-N 0 0 395.337 3.360 10 5 GGBERN O=[N+]([O-])c1ccc2oc(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nc2c1 ZINC001308037760 1126162469 /nfs/dbraw/zinc/16/24/69/1126162469.db2.gz GCUWMEAWBNFEFC-WMLDXEAASA-N 0 0 395.337 3.360 10 5 GGBERN O=[N+]([O-])c1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001659942741 1126263720 /nfs/dbraw/zinc/26/37/20/1126263720.db2.gz BMJLIIDTGPNJHE-GDBMZVCRSA-N 0 0 399.325 3.127 10 5 GGBERN CCCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000035681434 203795253 /nfs/dbraw/zinc/79/52/53/203795253.db2.gz QGLNXQMSSGSKTO-QXMHVHEDSA-N 0 0 397.431 3.494 10 5 GGBERN Cc1cc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)ccc1[N+](=O)[O-] ZINC000002609918 203951474 /nfs/dbraw/zinc/95/14/74/203951474.db2.gz KYZMSFFNVMWJIX-UHFFFAOYSA-N 0 0 388.361 3.439 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000002622623 203951644 /nfs/dbraw/zinc/95/16/44/203951644.db2.gz RCKDEBFNVWUISE-LBPRGKRZSA-N 0 0 376.438 3.438 10 5 GGBERN CC(=O)Nc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000002685275 203954970 /nfs/dbraw/zinc/95/49/70/203954970.db2.gz SLPQBAPJULVUBV-UHFFFAOYSA-N 0 0 390.377 3.192 10 5 GGBERN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1C[C@@H]1CCCO1 ZINC000003495193 204010101 /nfs/dbraw/zinc/01/01/01/204010101.db2.gz AEZVNKBOWHTQMD-ZDUSSCGKSA-N 0 0 392.433 3.293 10 5 GGBERN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1C[C@H]1CCCO1 ZINC000003495190 204010135 /nfs/dbraw/zinc/01/01/35/204010135.db2.gz AEZVNKBOWHTQMD-CYBMUJFWSA-N 0 0 392.433 3.293 10 5 GGBERN O=C(Cn1sc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000004751519 204073472 /nfs/dbraw/zinc/07/34/72/204073472.db2.gz DSHYZALXTLPJFV-UHFFFAOYSA-N 0 0 381.772 3.402 10 5 GGBERN Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 ZINC000004807334 204076651 /nfs/dbraw/zinc/07/66/51/204076651.db2.gz LWAWJQANVCPXDU-UHFFFAOYSA-N 0 0 392.795 3.426 10 5 GGBERN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000004822122 204079586 /nfs/dbraw/zinc/07/95/86/204079586.db2.gz SLYFIKSBOWTJQM-VUSFMPOISA-N 0 0 382.416 3.289 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000004853756 204083483 /nfs/dbraw/zinc/08/34/83/204083483.db2.gz YSVZYMDNDXYVJK-IBGZPJMESA-N 0 0 383.429 3.190 10 5 GGBERN Cc1nn(CCCC(=O)Nc2cnn(Cc3ccccc3C)c2)c(C)c1[N+](=O)[O-] ZINC000004873956 204085068 /nfs/dbraw/zinc/08/50/68/204085068.db2.gz WIYYXZKBZNSZGF-UHFFFAOYSA-N 0 0 396.451 3.380 10 5 GGBERN Cc1ccc(-n2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000004882162 204085791 /nfs/dbraw/zinc/08/57/91/204085791.db2.gz LOFOVFDTCNCXAB-UHFFFAOYSA-N 0 0 393.424 3.479 10 5 GGBERN CC[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000004433758 204044299 /nfs/dbraw/zinc/04/42/99/204044299.db2.gz QJQNGIKZGFNVHG-MRXNPFEDSA-N 0 0 376.340 3.073 10 5 GGBERN Cc1nc2cc([N+](=O)[O-])c(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2[nH]1 ZINC000005116028 204112218 /nfs/dbraw/zinc/11/22/18/204112218.db2.gz NLRFOKSZBNXTLK-UHFFFAOYSA-N 0 0 382.380 3.014 10 5 GGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccncc1 ZINC000035234724 204113887 /nfs/dbraw/zinc/11/38/87/204113887.db2.gz DDTXZJFDNMJCPX-SECBINFHSA-N 0 0 397.172 3.085 10 5 GGBERN COc1cc(NC(=O)COC(=O)Cc2ccc(C)c(C)c2)c(C)cc1[N+](=O)[O-] ZINC000005185492 204118469 /nfs/dbraw/zinc/11/84/69/204118469.db2.gz RHSNYNMDUPHAQX-UHFFFAOYSA-N 0 0 386.404 3.253 10 5 GGBERN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000005264983 204121589 /nfs/dbraw/zinc/12/15/89/204121589.db2.gz ANUNUBGXVKTVOV-VIFPVBQESA-N 0 0 393.325 3.351 10 5 GGBERN C[C@@H]1Cc2ccccc2N1C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270815 204123075 /nfs/dbraw/zinc/12/30/75/204123075.db2.gz PGEKFCHNUKPPQV-OAHLLOKOSA-N 0 0 389.411 3.396 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005007766 204101984 /nfs/dbraw/zinc/10/19/84/204101984.db2.gz UBKWPDVCSXDWEC-UHFFFAOYSA-N 0 0 399.428 3.186 10 5 GGBERN O=C(OCc1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005699062 204148048 /nfs/dbraw/zinc/14/80/48/204148048.db2.gz QYWJUCLKVJEABV-UHFFFAOYSA-N 0 0 399.428 3.398 10 5 GGBERN Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005793821 204151119 /nfs/dbraw/zinc/15/11/19/204151119.db2.gz KLOJMJJTYCVLHK-UHFFFAOYSA-N 0 0 378.768 3.117 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(F)cc1 ZINC000005781922 204152086 /nfs/dbraw/zinc/15/20/86/204152086.db2.gz CXRFOZWEGIPAGX-SBKJXLNCSA-N 0 0 388.351 3.326 10 5 GGBERN Cc1ccc(C)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000006052545 204162646 /nfs/dbraw/zinc/16/26/46/204162646.db2.gz JENZKXKIIAIRAE-SFHVURJKSA-N 0 0 380.404 3.478 10 5 GGBERN CCN(CC(=O)NCc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000006084289 204164207 /nfs/dbraw/zinc/16/42/07/204164207.db2.gz PGELEEIHIJHCHU-UHFFFAOYSA-N 0 0 381.841 3.088 10 5 GGBERN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc2ccccc2c1 ZINC000006152900 204167789 /nfs/dbraw/zinc/16/77/89/204167789.db2.gz GAQRHZCOQSQKPV-UHFFFAOYSA-N 0 0 389.367 3.373 10 5 GGBERN CCOc1ccc(CN(C)CC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 ZINC000006155644 204168919 /nfs/dbraw/zinc/16/89/19/204168919.db2.gz BQDARVMMLHFSHL-UHFFFAOYSA-N 0 0 387.436 3.381 10 5 GGBERN CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000005475650 204134536 /nfs/dbraw/zinc/13/45/36/204134536.db2.gz PRFWNMNELHFTSS-QGZVFWFLSA-N 0 0 394.474 3.430 10 5 GGBERN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(F)cc2F)NC(=O)N1 ZINC000005560104 204140592 /nfs/dbraw/zinc/14/05/92/204140592.db2.gz PRGHLBSRFMFYLM-MRXNPFEDSA-N 0 0 388.330 3.140 10 5 GGBERN CCNc1ccc(C(=O)OCC(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] ZINC000005659747 204144866 /nfs/dbraw/zinc/14/48/66/204144866.db2.gz YKIBCEZPPQHCKX-UHFFFAOYSA-N 0 0 388.376 3.084 10 5 GGBERN CN(Cc1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000005688297 204146363 /nfs/dbraw/zinc/14/63/63/204146363.db2.gz URXGXRSOZWAZBE-UHFFFAOYSA-N 0 0 381.479 3.077 10 5 GGBERN COCCNC(=O)c1nn(-c2ccccc2)c(Oc2ccccc2[N+](=O)[O-])c1C ZINC000006776419 204202852 /nfs/dbraw/zinc/20/28/52/204202852.db2.gz WBFTWSGQKHIFGW-UHFFFAOYSA-N 0 0 396.403 3.257 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)/C=C/c1ccccc1 ZINC000007068441 204233009 /nfs/dbraw/zinc/23/30/09/204233009.db2.gz BVZHVDSFIZXUGS-PCUGXKRQSA-N 0 0 381.432 3.334 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000007079763 204233018 /nfs/dbraw/zinc/23/30/18/204233018.db2.gz YAOPRAXFWRGOIE-SFHVURJKSA-N 0 0 384.388 3.124 10 5 GGBERN CC(C)[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000007121345 204233476 /nfs/dbraw/zinc/23/34/76/204233476.db2.gz VXEHDRZGMJBWDI-INIZCTEOSA-N 0 0 375.406 3.078 10 5 GGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000007131293 204234284 /nfs/dbraw/zinc/23/42/84/204234284.db2.gz ZVNWMYMKQZRMNA-UHFFFAOYSA-N 0 0 377.397 3.286 10 5 GGBERN COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccc(F)cc1 ZINC000007359357 204239884 /nfs/dbraw/zinc/23/98/84/204239884.db2.gz VOGXDEBGIMJSMX-UHFFFAOYSA-N 0 0 378.356 3.028 10 5 GGBERN COc1ccc2[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)nc2c1 ZINC000007344087 204240011 /nfs/dbraw/zinc/24/00/11/204240011.db2.gz YZWVQEBOBWVKDV-UHFFFAOYSA-N 0 0 388.405 3.219 10 5 GGBERN CSc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000007653532 204244962 /nfs/dbraw/zinc/24/49/62/204244962.db2.gz LVLSGAZMUHZBQB-UHFFFAOYSA-N 0 0 397.815 3.478 10 5 GGBERN COC(=O)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000008704633 204284332 /nfs/dbraw/zinc/28/43/32/204284332.db2.gz AQRASUKBOLNWPN-OAHLLOKOSA-N 0 0 376.796 3.211 10 5 GGBERN CC(C)NC(=O)CN(C)Cc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 ZINC000008706513 204284689 /nfs/dbraw/zinc/28/46/89/204284689.db2.gz XEKLELXKFWMNQC-UHFFFAOYSA-N 0 0 399.426 3.029 10 5 GGBERN O=C(COc1ccccc1C(=O)N1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000008704977 204285193 /nfs/dbraw/zinc/28/51/93/204285193.db2.gz OHIRXKPFSDKXQT-UHFFFAOYSA-N 0 0 383.404 3.238 10 5 GGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCn1c(=O)oc2ccccc21 ZINC000009050367 204297028 /nfs/dbraw/zinc/29/70/28/204297028.db2.gz RGTRZIRYFRMMEX-UHFFFAOYSA-N 0 0 389.795 3.205 10 5 GGBERN CN(C)c1ccc(C(=O)OCc2nnc(-c3ccc(F)cc3)o2)cc1[N+](=O)[O-] ZINC000008026940 204258891 /nfs/dbraw/zinc/25/88/91/204258891.db2.gz DNHZEPXFJYHDGQ-UHFFFAOYSA-N 0 0 386.339 3.207 10 5 GGBERN C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000008306165 204270133 /nfs/dbraw/zinc/27/01/33/204270133.db2.gz OGNKLNNPPAPACA-SNVBAGLBSA-N 0 0 375.768 3.034 10 5 GGBERN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000009156035 204301211 /nfs/dbraw/zinc/30/12/11/204301211.db2.gz LPCHAMIIUOFQKK-AWEZNQCLSA-N 0 0 393.440 3.415 10 5 GGBERN O=C(COc1c(Cl)cccc1Cl)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000009388627 204309778 /nfs/dbraw/zinc/30/97/78/204309778.db2.gz DZUNNEXAYCGNFP-CQSZACIVSA-N 0 0 385.203 3.130 10 5 GGBERN Cn1cnnc1Sc1ccc(C(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000009378012 204310319 /nfs/dbraw/zinc/31/03/19/204310319.db2.gz HUTAQZXOOYBSFY-UHFFFAOYSA-N 0 0 375.454 3.185 10 5 GGBERN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2ccccc2)cc1 ZINC000010452769 204334490 /nfs/dbraw/zinc/33/44/90/204334490.db2.gz TVYOLAJEHPYTGK-HNNXBMFYSA-N 0 0 377.400 3.301 10 5 GGBERN CNc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000012808727 204452294 /nfs/dbraw/zinc/45/22/94/204452294.db2.gz NFSTXARXFSIJOW-ZIAGYGMSSA-N 0 0 397.431 3.117 10 5 GGBERN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000012870939 204458159 /nfs/dbraw/zinc/45/81/59/204458159.db2.gz CHVLFSARNGEDCP-WEKMIXOTSA-N 0 0 388.445 3.231 10 5 GGBERN Cc1cccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000012924846 204467755 /nfs/dbraw/zinc/46/77/55/204467755.db2.gz WURQARVMELSTNV-CYBMUJFWSA-N 0 0 376.434 3.140 10 5 GGBERN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1c[nH]c2ccccc21 ZINC000021421165 204757280 /nfs/dbraw/zinc/75/72/80/204757280.db2.gz PJEKHQHYVLYTPA-LLVKDONJSA-N 0 0 396.355 3.276 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccco1 ZINC000021105179 204751911 /nfs/dbraw/zinc/75/19/11/204751911.db2.gz MCLAMAHPPDZIMV-SFHVURJKSA-N 0 0 380.360 3.358 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccco1 ZINC000021105100 204752986 /nfs/dbraw/zinc/75/29/86/204752986.db2.gz VVZPCQHHWXBVEF-SFHVURJKSA-N 0 0 380.360 3.358 10 5 GGBERN COc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000023386467 204806001 /nfs/dbraw/zinc/80/60/01/204806001.db2.gz GOXLGJBPWNJGTQ-ZJUUUORDSA-N 0 0 376.331 3.463 10 5 GGBERN C[C@H](C1CC1)N(C)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000024982935 204828320 /nfs/dbraw/zinc/82/83/20/204828320.db2.gz SWFAWIQSWSQIQC-CQSZACIVSA-N 0 0 381.498 3.250 10 5 GGBERN COC(=O)c1ccccc1C(=O)c1ccc(NC2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000024992726 204830027 /nfs/dbraw/zinc/83/00/27/204830027.db2.gz SJECDRBIANNWHP-UHFFFAOYSA-N 0 0 398.415 3.328 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000025830110 204836391 /nfs/dbraw/zinc/83/63/91/204836391.db2.gz NHUOLYQSXDMMNP-ZDUSSCGKSA-N 0 0 381.388 3.081 10 5 GGBERN COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1 ZINC000032797397 204919178 /nfs/dbraw/zinc/91/91/78/204919178.db2.gz GWECAGULDHMXTF-ZDUSSCGKSA-N 0 0 398.419 3.169 10 5 GGBERN CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000032853534 204922645 /nfs/dbraw/zinc/92/26/45/204922645.db2.gz KPNBGBVCNFRAPM-INIZCTEOSA-N 0 0 375.450 3.381 10 5 GGBERN CC1CCN([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000036067091 205003649 /nfs/dbraw/zinc/00/36/49/205003649.db2.gz GSNUGPKLNMXGPY-IBGZPJMESA-N 0 0 389.452 3.155 10 5 GGBERN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1=O ZINC000037521113 205026744 /nfs/dbraw/zinc/02/67/44/205026744.db2.gz UWBLUMNYTNFZSW-CYBMUJFWSA-N 0 0 387.823 3.434 10 5 GGBERN Cc1c(Cl)cccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000037520854 205027353 /nfs/dbraw/zinc/02/73/53/205027353.db2.gz ODWHLIQJTFVYBL-ZDUSSCGKSA-N 0 0 387.823 3.434 10 5 GGBERN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000040153694 205060042 /nfs/dbraw/zinc/06/00/42/205060042.db2.gz IYKIKJKJAKNLOC-MJGOQNOKSA-N 0 0 392.839 3.061 10 5 GGBERN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)OCCO2 ZINC000042387650 205080478 /nfs/dbraw/zinc/08/04/78/205080478.db2.gz RCTSETIRGVRVFX-ZDUSSCGKSA-N 0 0 394.387 3.043 10 5 GGBERN O=C(CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccn1 ZINC000045829201 205097594 /nfs/dbraw/zinc/09/75/94/205097594.db2.gz IYPRGNVZXWVYPE-UHFFFAOYSA-N 0 0 380.360 3.008 10 5 GGBERN COCCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000048373891 205123209 /nfs/dbraw/zinc/12/32/09/205123209.db2.gz XIDHQRZHFKZTKX-CQSZACIVSA-N 0 0 388.420 3.428 10 5 GGBERN CCCCN(Cc1nc2nc(C)cc(C)n2n1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000046020704 205101565 /nfs/dbraw/zinc/10/15/65/205101565.db2.gz VMAIEUCMGFFMIK-UHFFFAOYSA-N 0 0 382.424 3.092 10 5 GGBERN COCCn1c(SCc2csc([N+](=O)[O-])c2)nnc1-c1ccncc1 ZINC000054430377 205140087 /nfs/dbraw/zinc/14/00/87/205140087.db2.gz OCCBLKCWZALQHP-UHFFFAOYSA-N 0 0 377.451 3.249 10 5 GGBERN CS(=O)(=O)c1ccc(N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000058297919 205171849 /nfs/dbraw/zinc/17/18/49/205171849.db2.gz JOQSHOZJVXBIJK-FUHWJXTLSA-N 0 0 376.434 3.331 10 5 GGBERN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@H]1CC1[N+](=O)[O-] ZINC000065550091 205237748 /nfs/dbraw/zinc/23/77/48/205237748.db2.gz AUOHDGYPOJVBSW-STQMWFEESA-N 0 0 378.182 3.240 10 5 GGBERN COCCCOC1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000072311772 205323641 /nfs/dbraw/zinc/32/36/41/205323641.db2.gz DHMQSCTZNDVROY-UHFFFAOYSA-N 0 0 385.420 3.216 10 5 GGBERN O=C(O[C@H]1C[N+]2([O-])CCC1CC2)N1C[C@H](O)c2ccccc2[C@@H]1c1ccccc1 ZINC000077300985 205359339 /nfs/dbraw/zinc/35/93/39/205359339.db2.gz HKJBKWXZULCCEK-RJZLZWFVSA-N 0 0 394.471 3.368 10 5 in-vitro GGBERN CC(C)(C)OC(=O)N1CCC[C@H]([S@@](=O)c2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095084962 205438266 /nfs/dbraw/zinc/43/82/66/205438266.db2.gz NOGHHYKAJRJVMB-JWNZJDHWSA-N 0 0 395.437 3.243 10 5 GGBERN COCCNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000096278311 205555732 /nfs/dbraw/zinc/55/57/32/205555732.db2.gz MBNUKJUZQHMTBT-QGZVFWFLSA-N 0 0 381.432 3.371 10 5 GGBERN CCOCCCNc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000101823304 205627230 /nfs/dbraw/zinc/62/72/30/205627230.db2.gz JEAJWODUGIIPII-GJZGRUSLSA-N 0 0 375.425 3.113 10 5 GGBERN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000225400951 206044913 /nfs/dbraw/zinc/04/49/13/206044913.db2.gz ALIIUGKTORWBID-BPLDGKMQSA-N 0 0 394.353 3.424 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000225384970 206045424 /nfs/dbraw/zinc/04/54/24/206045424.db2.gz DURNGRGZAUNRDK-DYESRHJHSA-N 0 0 394.475 3.079 10 5 GGBERN Cc1nc(CO[C@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)cs1 ZINC000225396861 206046067 /nfs/dbraw/zinc/04/60/67/206046067.db2.gz ARPWXELPTXWBPX-LBPRGKRZSA-N 0 0 399.270 3.313 10 5 GGBERN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000225400991 206046272 /nfs/dbraw/zinc/04/62/72/206046272.db2.gz ALIIUGKTORWBID-YUELXQCFSA-N 0 0 394.353 3.424 10 5 GGBERN COc1ccnc(N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)n1 ZINC000225513728 206053111 /nfs/dbraw/zinc/05/31/11/206053111.db2.gz DEHMWXUUTIPBSC-UHFFFAOYSA-N 0 0 399.454 3.149 10 5 GGBERN Cc1cc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)no1 ZINC000225833974 206080856 /nfs/dbraw/zinc/08/08/56/206080856.db2.gz SQANSDJPIXGOBP-UHFFFAOYSA-N 0 0 380.209 3.019 10 5 GGBERN CC(C)(C)OC(=O)N1CCC2(C1)CCN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000253420058 206147405 /nfs/dbraw/zinc/14/74/05/206147405.db2.gz UKKFCHXWSMIJAG-UHFFFAOYSA-N 0 0 389.452 3.458 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000007306109 206222819 /nfs/dbraw/zinc/22/28/19/206222819.db2.gz FDUDFXFWLMQDHK-JTQLQIEISA-N 0 0 385.239 3.397 10 5 GGBERN COC(=O)[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 ZINC000095443174 136179050 /nfs/dbraw/zinc/17/90/50/136179050.db2.gz NAVSPEPSZGYVBQ-INIZCTEOSA-N 0 0 394.387 3.312 10 5 GGBERN O=C(Nc1cccc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000133615653 136192887 /nfs/dbraw/zinc/19/28/87/136192887.db2.gz FBZLRDPLOSHWND-UHFFFAOYSA-N 0 0 377.404 3.497 10 5 GGBERN CCN1CCN(C(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)CC1 ZINC000058056202 521671186 /nfs/dbraw/zinc/67/11/86/521671186.db2.gz UYDQWKGNQWQLMD-UHFFFAOYSA-N 0 0 399.476 3.057 10 5 GGBERN C[C@@H](O)Cn1c2ccccc2nc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000057326697 525845531 /nfs/dbraw/zinc/84/55/31/525845531.db2.gz 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Cc1ccc(OCC(=O)NCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000002619902 564188662 /nfs/dbraw/zinc/18/86/62/564188662.db2.gz VDXHDDWOEJZHOI-UHFFFAOYSA-N 0 0 384.219 3.343 10 5 GGBERN O=C1C[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004309676 564202245 /nfs/dbraw/zinc/20/22/45/564202245.db2.gz RVZAALAJBBVFDL-LBPRGKRZSA-N 0 0 389.205 3.480 10 5 GGBERN O=[N+]([O-])c1sc(NCCc2nccs2)nc1NCCc1nccs1 ZINC000117865691 564232896 /nfs/dbraw/zinc/23/28/96/564232896.db2.gz GGEJOXKGENXDEV-UHFFFAOYSA-N 0 0 382.496 3.274 10 5 GGBERN COC(=O)c1ccc(OCC(=O)c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000007128376 564232978 /nfs/dbraw/zinc/23/29/78/564232978.db2.gz JUSKMCXEVWIHMN-UHFFFAOYSA-N 0 0 394.177 3.406 10 5 GGBERN CN(C)c1cccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000117929085 564234798 /nfs/dbraw/zinc/23/47/98/564234798.db2.gz XEBZURDNQSPXDV-CQSZACIVSA-N 0 0 381.479 3.248 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cc1 ZINC000118435617 564240377 /nfs/dbraw/zinc/24/03/77/564240377.db2.gz QTVPUICPUNBYSK-CYBMUJFWSA-N 0 0 378.303 3.316 10 5 GGBERN C[C@H]1SCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]1C ZINC000118417169 564240901 /nfs/dbraw/zinc/24/09/01/564240901.db2.gz CNLISFYJQLEAOV-NXEZZACHSA-N 0 0 388.287 3.122 10 5 GGBERN Cn1cc(CNc2ncc(Br)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000119015111 564251043 /nfs/dbraw/zinc/25/10/43/564251043.db2.gz NWWAICWGODWYQV-UHFFFAOYSA-N 0 0 380.124 3.117 10 5 GGBERN C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ncccn1 ZINC000119105045 564254934 /nfs/dbraw/zinc/25/49/34/564254934.db2.gz GNNRXVROUPNUQM-MRVPVSSYSA-N 0 0 383.227 3.267 10 5 GGBERN CSc1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)s1 ZINC000012563823 564269279 /nfs/dbraw/zinc/26/92/79/564269279.db2.gz ZKADVOZEJAIJHA-UHFFFAOYSA-N 0 0 383.524 3.084 10 5 GGBERN Cc1nn(CC(=O)N[C@H](C)c2ccccc2Br)c(C)c1[N+](=O)[O-] ZINC000014016925 564278641 /nfs/dbraw/zinc/27/86/41/564278641.db2.gz HHZALINQUPHHGD-SECBINFHSA-N 0 0 381.230 3.048 10 5 GGBERN O=[N+]([O-])c1ccc(CNCc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000119722915 564285199 /nfs/dbraw/zinc/28/51/99/564285199.db2.gz OQJKCERKSNEOHA-UHFFFAOYSA-N 0 0 388.225 3.432 10 5 GGBERN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000016093222 564291107 /nfs/dbraw/zinc/29/11/07/564291107.db2.gz MYYPZHZQXXRBAV-UHFFFAOYSA-N 0 0 391.232 3.389 10 5 GGBERN CC(C)c1noc(CCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000119921318 564295087 /nfs/dbraw/zinc/29/50/87/564295087.db2.gz UPULQQKHIIQFAS-UHFFFAOYSA-N 0 0 397.229 3.226 10 5 GGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000018111213 564300992 /nfs/dbraw/zinc/30/09/92/564300992.db2.gz KDKVYZANWZDFCX-UHFFFAOYSA-N 0 0 379.869 3.197 10 5 GGBERN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccc(Br)s1 ZINC000120156593 564307038 /nfs/dbraw/zinc/30/70/38/564307038.db2.gz OKVUCHQETUUMNA-UHFFFAOYSA-N 0 0 394.044 3.391 10 5 GGBERN O=[N+]([O-])c1cnc(NCCc2ccc(Br)s2)nc1NC1CC1 ZINC000026700396 564349109 /nfs/dbraw/zinc/34/91/09/564349109.db2.gz SAKSLFLZDKFJHS-UHFFFAOYSA-N 0 0 384.259 3.438 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121136366 564355326 /nfs/dbraw/zinc/35/53/26/564355326.db2.gz SLKVRCTYZGQRQG-BZNIZROVSA-N 0 0 383.242 3.125 10 5 GGBERN C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000121391127 564366832 /nfs/dbraw/zinc/36/68/32/564366832.db2.gz UKBNXXAILRXHJE-JOYOIKCWSA-N 0 0 378.372 3.389 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000121447537 564369687 /nfs/dbraw/zinc/36/96/87/564369687.db2.gz AGBJUPVJJWPLRN-CYBMUJFWSA-N 0 0 384.845 3.196 10 5 GGBERN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000029969767 564375643 /nfs/dbraw/zinc/37/56/43/564375643.db2.gz PAZGJCQQTNCSSD-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000030426659 564380825 /nfs/dbraw/zinc/38/08/25/564380825.db2.gz NSXFWEQEPHKDGB-ZDUSSCGKSA-N 0 0 382.463 3.363 10 5 GGBERN CC(C)Cn1ccnc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121908164 564392174 /nfs/dbraw/zinc/39/21/74/564392174.db2.gz UKZMQZCEVFTAOY-UHFFFAOYSA-N 0 0 381.230 3.140 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc(Cl)cc1Cl ZINC000032402253 564398261 /nfs/dbraw/zinc/39/82/61/564398261.db2.gz WLVDGGUXHWHNRS-UHFFFAOYSA-N 0 0 391.232 3.389 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2ccc(Cl)cc2C1 ZINC000122101691 564400260 /nfs/dbraw/zinc/40/02/60/564400260.db2.gz HXCLEBDUAKERLO-UHFFFAOYSA-N 0 0 382.825 3.004 10 5 GGBERN COC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000122285574 564407618 /nfs/dbraw/zinc/40/76/18/564407618.db2.gz YPOKVIIDMQSMCL-OAHLLOKOSA-N 0 0 379.210 3.475 10 5 GGBERN Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1S(C)(=O)=O ZINC000122320890 564409010 /nfs/dbraw/zinc/40/90/10/564409010.db2.gz KCHVJDIYEKUQQG-UHFFFAOYSA-N 0 0 382.825 3.141 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000122443527 564413690 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Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123645166 564456030 /nfs/dbraw/zinc/45/60/30/564456030.db2.gz GGBTVPYTDGNFLH-AWEZNQCLSA-N 0 0 393.241 3.167 10 5 GGBERN Cc1sc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)cc1[N+](=O)[O-] ZINC000124106311 564471129 /nfs/dbraw/zinc/47/11/29/564471129.db2.gz DUVMPORYWMACLU-UHFFFAOYSA-N 0 0 383.426 3.106 10 5 GGBERN CS(=O)(=O)c1cc(NCc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000124270856 564477037 /nfs/dbraw/zinc/47/70/37/564477037.db2.gz TYTVXDRZLKUFTC-UHFFFAOYSA-N 0 0 385.239 3.373 10 5 GGBERN C[C@H](Cc1ccc(O)cc1)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000124316567 564478811 /nfs/dbraw/zinc/47/88/11/564478811.db2.gz KUYYGYHYPRDXML-LLVKDONJSA-N 0 0 384.841 3.206 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000125853023 564528821 /nfs/dbraw/zinc/52/88/21/564528821.db2.gz PIFGWSMIBDYEBE-UHFFFAOYSA-N 0 0 376.722 3.273 10 5 GGBERN CCOC(=O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)[C@@H](C)CC ZINC000048278699 564535502 /nfs/dbraw/zinc/53/55/02/564535502.db2.gz YUYJXXQLXATUFW-RSYJBZMQSA-N 0 0 375.830 3.366 10 5 GGBERN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000048808835 564546517 /nfs/dbraw/zinc/54/65/17/564546517.db2.gz VXTKSNRMTDJOAO-SNVBAGLBSA-N 0 0 392.209 3.173 10 5 GGBERN O=C(c1ccc(F)cc1Cl)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000052110101 564569047 /nfs/dbraw/zinc/56/90/47/564569047.db2.gz GNGPPSXMSKRKSS-UHFFFAOYSA-N 0 0 383.832 3.407 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2cc(Cl)cn2C)cc1[N+](=O)[O-] ZINC000127030549 564571251 /nfs/dbraw/zinc/57/12/51/564571251.db2.gz MQXFWYQZVJTXPB-UHFFFAOYSA-N 0 0 392.264 3.369 10 5 GGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000127172221 564576297 /nfs/dbraw/zinc/57/62/97/564576297.db2.gz SSWZTMADSOKADC-SNVBAGLBSA-N 0 0 386.499 3.264 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(CC[S@](=O)c2cc(Cl)ccc2Cl)c1=O ZINC000127227849 564577812 /nfs/dbraw/zinc/57/78/12/564577812.db2.gz ICCRZMKBZIJUKC-HSZRJFAPSA-N 0 0 375.233 3.180 10 5 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/nfs/dbraw/zinc/60/46/30/564604630.db2.gz BKNYPCNTGMWXGG-UHFFFAOYSA-N 0 0 384.479 3.472 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC(OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000055284781 564618870 /nfs/dbraw/zinc/61/88/70/564618870.db2.gz UZAGPPDSYKAHOZ-UHFFFAOYSA-N 0 0 390.889 3.382 10 5 GGBERN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000128456693 564619248 /nfs/dbraw/zinc/61/92/48/564619248.db2.gz NVFXVEPDJZNQKW-UHFFFAOYSA-N 0 0 383.451 3.369 10 5 GGBERN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000128949942 564633928 /nfs/dbraw/zinc/63/39/28/564633928.db2.gz BIZUNGUABIRNRK-XPTSAGLGSA-N 0 0 390.870 3.364 10 5 GGBERN COc1ccc2c(c1)CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000129281928 564643626 /nfs/dbraw/zinc/64/36/26/564643626.db2.gz LWCFATWMUJTZDL-UHFFFAOYSA-N 0 0 391.221 3.498 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1c[nH]cc(Br)c1=O ZINC000129617312 564654163 /nfs/dbraw/zinc/65/41/63/564654163.db2.gz MAXKBHNKHMNMDS-UHFFFAOYSA-N 0 0 384.211 3.189 10 5 GGBERN O=[N+]([O-])c1c(F)cccc1N1CCN(c2ccc(Br)cn2)CC1 ZINC000057138398 564661457 /nfs/dbraw/zinc/66/14/57/564661457.db2.gz OTNZPTSGVHEUID-UHFFFAOYSA-N 0 0 381.205 3.218 10 5 GGBERN O=C(NCc1cc(F)cc(Br)c1)NCc1ccccc1[N+](=O)[O-] ZINC000057249535 564664424 /nfs/dbraw/zinc/66/44/24/564664424.db2.gz LROSSDSOVTZSEH-UHFFFAOYSA-N 0 0 382.189 3.496 10 5 GGBERN O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000057357700 564665874 /nfs/dbraw/zinc/66/58/74/564665874.db2.gz SNPDYHNJZMAYQC-UHFFFAOYSA-N 0 0 395.209 3.386 10 5 GGBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1csc(Br)c1 ZINC000130553978 564685750 /nfs/dbraw/zinc/68/57/50/564685750.db2.gz TUJZRDHKWQTJFG-UHFFFAOYSA-N 0 0 382.195 3.284 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)s1 ZINC000130738437 564690948 /nfs/dbraw/zinc/69/09/48/564690948.db2.gz BSHXLKJQNFSUCU-UHFFFAOYSA-N 0 0 399.194 3.498 10 5 GGBERN Cc1csc(C2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000131145348 564702595 /nfs/dbraw/zinc/70/25/95/564702595.db2.gz 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CCCCOc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000745 564753998 /nfs/dbraw/zinc/75/39/98/564753998.db2.gz FMPDKSUBSJIRMK-UHFFFAOYSA-N 0 0 384.479 3.356 10 5 GGBERN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000066000397 564754006 /nfs/dbraw/zinc/75/40/06/564754006.db2.gz UPMIORZITYEBGE-LBPRGKRZSA-N 0 0 389.524 3.079 10 5 GGBERN COc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1CO ZINC000132852394 564755248 /nfs/dbraw/zinc/75/52/48/564755248.db2.gz MCBCSIIJGCOFEY-UHFFFAOYSA-N 0 0 381.182 3.111 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000132938132 564757682 /nfs/dbraw/zinc/75/76/82/564757682.db2.gz SCOZYRUYFDEKET-UHFFFAOYSA-N 0 0 376.722 3.273 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)s1 ZINC000066327524 564762358 /nfs/dbraw/zinc/76/23/58/564762358.db2.gz HUKYRRCNUDHXDO-UHFFFAOYSA-N 0 0 382.341 3.033 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)s1 ZINC000066327388 564762374 /nfs/dbraw/zinc/76/23/74/564762374.db2.gz RFQKTUQHNGLIHC-INIZCTEOSA-N 0 0 375.431 3.119 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2OCC(F)(F)F)s1 ZINC000066333824 564762557 /nfs/dbraw/zinc/76/25/57/564762557.db2.gz MBACWNJKKUBABN-UHFFFAOYSA-N 0 0 396.368 3.076 10 5 GGBERN COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000066333451 564762603 /nfs/dbraw/zinc/76/26/03/564762603.db2.gz LLVHXWSXYYCXCE-JTQLQIEISA-N 0 0 386.451 3.021 10 5 GGBERN Cc1c(F)cc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000133114789 564763900 /nfs/dbraw/zinc/76/39/00/564763900.db2.gz XPZLXINRYJNJTA-ZJUUUORDSA-N 0 0 384.351 3.442 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000133230690 564766494 /nfs/dbraw/zinc/76/64/94/564766494.db2.gz BMDURZRUSSJQRJ-CYBMUJFWSA-N 0 0 393.241 3.167 10 5 GGBERN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000133363055 564770982 /nfs/dbraw/zinc/77/09/82/564770982.db2.gz CLMKCXJFXXHFBH-UHFFFAOYSA-N 0 0 395.750 3.133 10 5 GGBERN CC1(C)CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066937369 564779351 /nfs/dbraw/zinc/77/93/51/564779351.db2.gz IEPCDYRZKDWERT-CYBMUJFWSA-N 0 0 382.463 3.197 10 5 GGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000067538725 564795220 /nfs/dbraw/zinc/79/52/20/564795220.db2.gz ZKCCQZUQGBPLDO-SNVBAGLBSA-N 0 0 382.825 3.143 10 5 GGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1coc(Br)c1 ZINC000068103659 564808493 /nfs/dbraw/zinc/80/84/93/564808493.db2.gz RWNUFVIDLCLMAW-UHFFFAOYSA-N 0 0 377.154 3.388 10 5 GGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000134608302 564808994 /nfs/dbraw/zinc/80/89/94/564808994.db2.gz AMDTVKMFZXTOPP-XHDPSFHLSA-N 0 0 385.258 3.418 10 5 GGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000134608260 564809350 /nfs/dbraw/zinc/80/93/50/564809350.db2.gz AMDTVKMFZXTOPP-NHYWBVRUSA-N 0 0 385.258 3.418 10 5 GGBERN COC(=O)c1cc(NC(=O)Cc2ccc(Br)s2)cc([N+](=O)[O-])c1 ZINC000136151821 564845582 /nfs/dbraw/zinc/84/55/82/564845582.db2.gz CPXIFQCYHGUUQF-UHFFFAOYSA-N 0 0 399.222 3.387 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(Cc2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000070842862 564852355 /nfs/dbraw/zinc/85/23/55/564852355.db2.gz DLGPNZQVBCCTQN-UHFFFAOYSA-N 0 0 381.841 3.305 10 5 GGBERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000137372832 564862116 /nfs/dbraw/zinc/86/21/16/564862116.db2.gz KQCPALWBTPJTLT-JTQLQIEISA-N 0 0 381.219 3.305 10 5 GGBERN CS(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000078440805 564863207 /nfs/dbraw/zinc/86/32/07/564863207.db2.gz WRELEDWRPLEVHY-UHFFFAOYSA-N 0 0 385.239 3.324 10 5 GGBERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000137830398 564863992 /nfs/dbraw/zinc/86/39/92/564863992.db2.gz DLRSDVBUPHWQGB-SNVBAGLBSA-N 0 0 381.219 3.305 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000079305774 564866783 /nfs/dbraw/zinc/86/67/83/564866783.db2.gz OIBYNRPSGSPBQO-NSHDSACASA-N 0 0 384.841 3.302 10 5 GGBERN CCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(I)c1 ZINC000084744413 564869187 /nfs/dbraw/zinc/86/91/87/564869187.db2.gz VSLABSPYEUKNPL-CHWSQXEVSA-N 0 0 388.205 3.090 10 5 GGBERN Cc1nc2ccc(NS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000089729913 564870458 /nfs/dbraw/zinc/87/04/58/564870458.db2.gz OHDBWMCSGHACAG-UHFFFAOYSA-N 0 0 377.447 3.497 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000145427122 564878292 /nfs/dbraw/zinc/87/82/92/564878292.db2.gz HUQAHARXVSYEMQ-SNVBAGLBSA-N 0 0 378.226 3.422 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000145426934 564878899 /nfs/dbraw/zinc/87/88/99/564878899.db2.gz HUQAHARXVSYEMQ-JTQLQIEISA-N 0 0 378.226 3.422 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1NC[C@H]1CCCC[C@@H]1O ZINC000096867213 564903183 /nfs/dbraw/zinc/90/31/83/564903183.db2.gz YUCCLTSTYSISPY-RNCFNFMXSA-N 0 0 376.194 3.162 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3cc(F)ccc3Br)cc2N1 ZINC000097497389 564908144 /nfs/dbraw/zinc/90/81/44/564908144.db2.gz LJEQRMCRXJNQTR-UHFFFAOYSA-N 0 0 396.172 3.439 10 5 GGBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cscc1C ZINC000151240176 564912001 /nfs/dbraw/zinc/91/20/01/564912001.db2.gz MXZGRVXRVFKELZ-SNVBAGLBSA-N 0 0 383.451 3.048 10 5 GGBERN Cc1sc(C(=O)NCCOc2ncccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000151343522 564915316 /nfs/dbraw/zinc/91/53/16/564915316.db2.gz RRFLSUAEMYDMSJ-UHFFFAOYSA-N 0 0 375.328 3.187 10 5 GGBERN O=C(NCc1ccc(O)c(Br)c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000151523125 564924010 /nfs/dbraw/zinc/92/40/10/564924010.db2.gz KQOLIYOUYLSZDT-UHFFFAOYSA-N 0 0 390.193 3.474 10 5 GGBERN Cc1c(Br)cc(C(=O)NCCc2ccccc2O)cc1[N+](=O)[O-] ZINC000151707020 564933185 /nfs/dbraw/zinc/93/31/85/564933185.db2.gz PJDWYTSCTOKTEZ-UHFFFAOYSA-N 0 0 379.210 3.344 10 5 GGBERN COCc1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000151803385 564937715 /nfs/dbraw/zinc/93/77/15/564937715.db2.gz YRPLOZJYYFCAOF-UHFFFAOYSA-N 0 0 386.227 3.141 10 5 GGBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000103152555 564943746 /nfs/dbraw/zinc/94/37/46/564943746.db2.gz PCVPEBQQMQHXLZ-SECBINFHSA-N 0 0 389.227 3.298 10 5 GGBERN CC(C)c1ccccc1OC[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000152288130 564953336 /nfs/dbraw/zinc/95/33/36/564953336.db2.gz VETQWQUIYRRHTO-LLVKDONJSA-N 0 0 384.230 3.117 10 5 GGBERN Cc1cnc(CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)s1 ZINC000152506910 564962599 /nfs/dbraw/zinc/96/25/99/564962599.db2.gz VZZTVXFWQCPVEN-UHFFFAOYSA-N 0 0 384.255 3.437 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000152958070 564978873 /nfs/dbraw/zinc/97/88/73/564978873.db2.gz HCOSYLMTLADSTM-UHFFFAOYSA-N 0 0 390.237 3.320 10 5 GGBERN CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000153011065 564981434 /nfs/dbraw/zinc/98/14/34/564981434.db2.gz FTIJGXBYEOXSLJ-JTQLQIEISA-N 0 0 387.508 3.373 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000153032252 564982394 /nfs/dbraw/zinc/98/23/94/564982394.db2.gz ONNBGCOPXHGNII-CQSZACIVSA-N 0 0 382.825 3.090 10 5 GGBERN CC(C)(C)c1csc(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000153329709 564992029 /nfs/dbraw/zinc/99/20/29/564992029.db2.gz HTTALYQPCBPJFP-UHFFFAOYSA-N 0 0 383.495 3.011 10 5 GGBERN CCc1nc(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cs1 ZINC000107703936 565002516 /nfs/dbraw/zinc/00/25/16/565002516.db2.gz QLBQRUBZZAPIDW-UHFFFAOYSA-N 0 0 375.859 3.054 10 5 GGBERN CC(C)n1ccnc1CS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000153879754 565015092 /nfs/dbraw/zinc/01/50/92/565015092.db2.gz FMFKNNFHNHAYAW-UHFFFAOYSA-N 0 0 388.243 3.109 10 5 GGBERN CN(c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000108946611 565019059 /nfs/dbraw/zinc/01/90/59/565019059.db2.gz ZWVJKHUGOBEWLJ-CYBMUJFWSA-N 0 0 392.257 3.253 10 5 GGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000109025581 565020025 /nfs/dbraw/zinc/02/00/25/565020025.db2.gz UIRFNJCMWITWTR-SNVBAGLBSA-N 0 0 382.825 3.143 10 5 GGBERN CCCc1n[nH]c(C(=O)N[C@H](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000109619473 565028484 /nfs/dbraw/zinc/02/84/84/565028484.db2.gz QITJKNICAYBKCX-SNVBAGLBSA-N 0 0 395.257 3.394 10 5 GGBERN Cc1nc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)cs1 ZINC000109651378 565029393 /nfs/dbraw/zinc/02/93/93/565029393.db2.gz LMYNGJHQRBLTCC-UHFFFAOYSA-N 0 0 380.495 3.078 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000154330663 565034315 /nfs/dbraw/zinc/03/43/15/565034315.db2.gz KEAVHMUDBGTRMW-OAHLLOKOSA-N 0 0 392.209 3.046 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000154371035 565035986 /nfs/dbraw/zinc/03/59/86/565035986.db2.gz RDWATVWFQSOSBO-LRDDRELGSA-N 0 0 383.242 3.125 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000154370702 565036157 /nfs/dbraw/zinc/03/61/57/565036157.db2.gz RDWATVWFQSOSBO-MLGOLLRUSA-N 0 0 383.242 3.125 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000154443761 565039487 /nfs/dbraw/zinc/03/94/87/565039487.db2.gz VMNGRPAEOFKMFK-DOMZBBRYSA-N 0 0 397.225 3.279 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000154620640 565046774 /nfs/dbraw/zinc/04/67/74/565046774.db2.gz JCWPYLXBHIUOCY-WFASDCNBSA-N 0 0 384.816 3.363 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1c1cn[nH]c1 ZINC000154804220 565053634 /nfs/dbraw/zinc/05/36/34/565053634.db2.gz ZGLIFUXFQXLDIH-HNNXBMFYSA-N 0 0 393.241 3.377 10 5 GGBERN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000154979218 565058784 /nfs/dbraw/zinc/05/87/84/565058784.db2.gz MNGJKEBWUXLMEC-GFCCVEGCSA-N 0 0 384.841 3.135 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1 ZINC000155165488 565063369 /nfs/dbraw/zinc/06/33/69/565063369.db2.gz OLUBBYGEWQBDEX-UHFFFAOYSA-N 0 0 394.229 3.492 10 5 GGBERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000155205693 565064327 /nfs/dbraw/zinc/06/43/27/565064327.db2.gz UEWPYGLKLZFXHF-ZDUSSCGKSA-N 0 0 394.229 3.460 10 5 GGBERN CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155300051 565065775 /nfs/dbraw/zinc/06/57/75/565065775.db2.gz QYIZBACBXFGQPW-UHFFFAOYSA-N 0 0 395.384 3.032 10 5 GGBERN Cc1nn(CCC(=O)Oc2cc(F)ccc2Br)c(C)c1[N+](=O)[O-] ZINC000155333492 565066241 /nfs/dbraw/zinc/06/62/41/565066241.db2.gz OHMOESAVBWNPDY-UHFFFAOYSA-N 0 0 386.177 3.305 10 5 GGBERN COC(=O)[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000155350069 565066458 /nfs/dbraw/zinc/06/64/58/565066458.db2.gz FDVMIANHYDWIMA-CQSZACIVSA-N 0 0 393.193 3.001 10 5 GGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CCc2nccs2)C(C)C)cc1C ZINC000155571077 565069335 /nfs/dbraw/zinc/06/93/35/565069335.db2.gz XDEPPCCAFUMANY-UHFFFAOYSA-N 0 0 383.495 3.310 10 5 GGBERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000113944902 565071758 /nfs/dbraw/zinc/07/17/58/565071758.db2.gz ZLBRPCCPWAVGIS-GFCCVEGCSA-N 0 0 381.479 3.182 10 5 GGBERN CN(Cc1ccc(F)cc1Cl)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183653934 565085133 /nfs/dbraw/zinc/08/51/33/565085133.db2.gz DPRMOVKFGQVCHV-UHFFFAOYSA-N 0 0 386.832 3.392 10 5 GGBERN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183675607 565087667 /nfs/dbraw/zinc/08/76/67/565087667.db2.gz BOZRRIOBPMMEOK-VIFPVBQESA-N 0 0 387.845 3.071 10 5 GGBERN Cc1nc(C(F)(F)F)c(Cn2cc(Br)cc([N+](=O)[O-])c2=O)s1 ZINC000183893578 565101808 /nfs/dbraw/zinc/10/18/08/565101808.db2.gz WNTWKULABJPJMP-UHFFFAOYSA-N 0 0 398.160 3.351 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000292266372 565107746 /nfs/dbraw/zinc/10/77/46/565107746.db2.gz KUZJEDWKYVKIKA-WCQYABFASA-N 0 0 380.800 3.222 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000292266379 565108271 /nfs/dbraw/zinc/10/82/71/565108271.db2.gz KUZJEDWKYVKIKA-YPMHNXCESA-N 0 0 380.800 3.222 10 5 GGBERN CC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000292341063 565111391 /nfs/dbraw/zinc/11/13/91/565111391.db2.gz OTVYKUFBUKBRAJ-INIZCTEOSA-N 0 0 389.235 3.312 10 5 GGBERN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292394433 565113690 /nfs/dbraw/zinc/11/36/90/565113690.db2.gz SLGUAESPEWVJMU-OLZOCXBDSA-N 0 0 380.800 3.222 10 5 GGBERN COCC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCOCC1 ZINC000292391244 565113757 /nfs/dbraw/zinc/11/37/57/565113757.db2.gz RLPXCBDATZJONZ-UHFFFAOYSA-N 0 0 387.230 3.047 10 5 GGBERN CS(=O)(=O)N1CCc2c1cccc2NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184226538 565120231 /nfs/dbraw/zinc/12/02/31/565120231.db2.gz KFWDWMJOIAFZES-UHFFFAOYSA-N 0 0 381.841 3.182 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)s1 ZINC000184239669 565121547 /nfs/dbraw/zinc/12/15/47/565121547.db2.gz BVUCAYCNTUJWFP-LBPRGKRZSA-N 0 0 388.854 3.072 10 5 GGBERN O=C1CC2(CN1)CCN(c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000267664051 565126213 /nfs/dbraw/zinc/12/62/13/565126213.db2.gz NJUYKCKEUKMTGM-UHFFFAOYSA-N 0 0 377.750 3.374 10 5 GGBERN CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nncs1 ZINC000184320252 565128537 /nfs/dbraw/zinc/12/85/37/565128537.db2.gz CMGJPJJIVYNXCN-UHFFFAOYSA-N 0 0 399.219 3.215 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC000292738033 565132027 /nfs/dbraw/zinc/13/20/27/565132027.db2.gz HCXJYSQCMCXXLS-JTQLQIEISA-N 0 0 399.347 3.081 10 5 GGBERN COc1cc(CN[C@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC000184397126 565133404 /nfs/dbraw/zinc/13/34/04/565133404.db2.gz WVWJZQCVDCKCTE-CQSZACIVSA-N 0 0 399.216 3.328 10 5 GGBERN O=C(CN1CCO[C@@H](c2cccs2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157754805 565142823 /nfs/dbraw/zinc/14/28/23/565142823.db2.gz OVYQKZMCTMTDIX-CQSZACIVSA-N 0 0 381.841 3.322 10 5 GGBERN Cc1c(Br)cc(C(=O)Nc2nnc(C3CCC3)[nH]2)cc1[N+](=O)[O-] ZINC000184555715 565143928 /nfs/dbraw/zinc/14/39/28/565143928.db2.gz XJVDKWDPULLYRO-UHFFFAOYSA-N 0 0 380.202 3.304 10 5 GGBERN O=[N+]([O-])c1cc(CN[C@H](c2nccs2)C(F)(F)F)c2c(c1)COCO2 ZINC000293020649 565146565 /nfs/dbraw/zinc/14/65/65/565146565.db2.gz QQQYNROZEKYCCC-GFCCVEGCSA-N 0 0 375.328 3.311 10 5 GGBERN Cc1c(F)cc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000184726081 565153755 /nfs/dbraw/zinc/15/37/55/565153755.db2.gz XPBYHZQPOLMGAT-NSHDSACASA-N 0 0 385.442 3.067 10 5 GGBERN COCC1(c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)CCOCC1 ZINC000293227204 565157440 /nfs/dbraw/zinc/15/74/40/565157440.db2.gz RFBMAPZSAVSTAP-UHFFFAOYSA-N 0 0 398.213 3.102 10 5 GGBERN COCC1(c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)CCOCC1 ZINC000293308835 565162005 /nfs/dbraw/zinc/16/20/05/565162005.db2.gz YJNFDCPAQBYFEU-UHFFFAOYSA-N 0 0 398.213 3.102 10 5 GGBERN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC000370940914 565169619 /nfs/dbraw/zinc/16/96/19/565169619.db2.gz DMWGFWBEUWXANH-LBPRGKRZSA-N 0 0 395.213 3.416 10 5 GGBERN CCS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184988287 565170051 /nfs/dbraw/zinc/17/00/51/565170051.db2.gz IVGQKUYZTKXOCE-NWDGAFQWSA-N 0 0 376.475 3.337 10 5 GGBERN CCS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184988329 565170803 /nfs/dbraw/zinc/17/08/03/565170803.db2.gz IVGQKUYZTKXOCE-VXGBXAGGSA-N 0 0 376.475 3.337 10 5 GGBERN CCS[C@H]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184988310 565170843 /nfs/dbraw/zinc/17/08/43/565170843.db2.gz IVGQKUYZTKXOCE-RYUDHWBXSA-N 0 0 376.475 3.337 10 5 GGBERN C[C@]12CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000293594425 565176720 /nfs/dbraw/zinc/17/67/20/565176720.db2.gz GZOBFYYWGRUSMU-YPMHNXCESA-N 0 0 375.169 3.475 10 5 GGBERN O=C(N[C@@H]1CCc2[nH]cnc2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000371308364 565185629 /nfs/dbraw/zinc/18/56/29/565185629.db2.gz NRUCBDVDHLTGJG-MRVPVSSYSA-N 0 0 399.632 3.021 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000269393705 565189352 /nfs/dbraw/zinc/18/93/52/565189352.db2.gz RRAYKSPXSXIXOG-GFCCVEGCSA-N 0 0 382.507 3.491 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000269409601 565189960 /nfs/dbraw/zinc/18/99/60/565189960.db2.gz VEGZBASAFJFJRP-CYBMUJFWSA-N 0 0 382.507 3.248 10 5 GGBERN CS(=O)(=O)c1cc(SCc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000269865147 565201288 /nfs/dbraw/zinc/20/12/88/565201288.db2.gz SKCJFPQDBLNQKH-UHFFFAOYSA-N 0 0 381.431 3.062 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2cccnc2)c1 ZINC000371601357 565202182 /nfs/dbraw/zinc/20/21/82/565202182.db2.gz IDNSIYOKVZEVPN-CYBMUJFWSA-N 0 0 381.841 3.477 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000159785157 565217450 /nfs/dbraw/zinc/21/74/50/565217450.db2.gz UGNFEAPPOYVIJE-TZMCWYRMSA-N 0 0 382.463 3.103 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)s1 ZINC000159784902 565217678 /nfs/dbraw/zinc/21/76/78/565217678.db2.gz UGNFEAPPOYVIJE-GXTWGEPZSA-N 0 0 382.463 3.103 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000372016435 565218870 /nfs/dbraw/zinc/21/88/70/565218870.db2.gz FDHHPHMVTZRXJP-GFCCVEGCSA-N 0 0 388.854 3.072 10 5 GGBERN CCOc1cc(Cl)ccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000159985754 565226667 /nfs/dbraw/zinc/22/66/67/565226667.db2.gz ZXXBBOFRQXFLGG-UHFFFAOYSA-N 0 0 384.841 3.267 10 5 GGBERN COc1nc(C)c(Br)cc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000186025570 565235761 /nfs/dbraw/zinc/23/57/61/565235761.db2.gz DAMDXFOFXCEVJW-UHFFFAOYSA-N 0 0 380.198 3.346 10 5 GGBERN CO[C@H](C)c1noc(CN(C)Cc2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000271207793 565242449 /nfs/dbraw/zinc/24/24/49/565242449.db2.gz KPYYYMBPZJIWRS-SECBINFHSA-N 0 0 385.218 3.080 10 5 GGBERN COc1c(F)cc(S(=O)(=O)N[C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000186236679 565248614 /nfs/dbraw/zinc/24/86/14/565248614.db2.gz LZBZUZXBDGBSNQ-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)n1 ZINC000271395600 565252163 /nfs/dbraw/zinc/25/21/63/565252163.db2.gz LTCBVUHMRLHFFM-UHFFFAOYSA-N 0 0 397.204 3.035 10 5 GGBERN CC1(C)OCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000295364498 565262401 /nfs/dbraw/zinc/26/24/01/565262401.db2.gz CRYQYPJWRYXALJ-SNVBAGLBSA-N 0 0 377.622 3.308 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000186541202 565266994 /nfs/dbraw/zinc/26/69/94/565266994.db2.gz NIMDWPRFPXBUQR-UHFFFAOYSA-N 0 0 389.209 3.472 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC12CCOCC2 ZINC000373086966 565268804 /nfs/dbraw/zinc/26/88/04/565268804.db2.gz KLJAUJWYNPUXCF-UHFFFAOYSA-N 0 0 389.633 3.406 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)n1 ZINC000373151676 565273088 /nfs/dbraw/zinc/27/30/88/565273088.db2.gz KIGRDDPALIZQOZ-LBPRGKRZSA-N 0 0 379.214 3.068 10 5 GGBERN C[C@H]1N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC12CCOCC2 ZINC000373268876 565276719 /nfs/dbraw/zinc/27/67/19/565276719.db2.gz YBWDBLQUFDAVGA-GFCCVEGCSA-N 0 0 397.269 3.317 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186689006 565278472 /nfs/dbraw/zinc/27/84/72/565278472.db2.gz CSVAASHCEZEANG-MRVPVSSYSA-N 0 0 375.859 3.095 10 5 GGBERN Nc1nc(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cs1 ZINC000295663651 565279211 /nfs/dbraw/zinc/27/92/11/565279211.db2.gz ILRVETRFKQEBTE-UHFFFAOYSA-N 0 0 383.302 3.337 10 5 GGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c(Br)c1 ZINC000295777364 565286216 /nfs/dbraw/zinc/28/62/16/565286216.db2.gz QLPVWICZHRPREB-BXUZGUMPSA-N 0 0 379.214 3.480 10 5 GGBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000272473751 565288781 /nfs/dbraw/zinc/28/87/81/565288781.db2.gz XNKUVSCQMVLFQS-LBPRGKRZSA-N 0 0 376.722 3.357 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(C2CCOCC2)CC1 ZINC000161909771 565297714 /nfs/dbraw/zinc/29/77/14/565297714.db2.gz YHIQMPGAJKACOV-UHFFFAOYSA-N 0 0 388.873 3.076 10 5 GGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC(C2CCOCC2)CC1 ZINC000161909926 565297931 /nfs/dbraw/zinc/29/79/31/565297931.db2.gz XCQUZQUIJDKYTD-UHFFFAOYSA-N 0 0 388.873 3.076 10 5 GGBERN O=C(Nc1ccsc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000186971888 565298889 /nfs/dbraw/zinc/29/88/89/565298889.db2.gz AFWULBVTRINWDC-MRVPVSSYSA-N 0 0 383.788 3.440 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NCCc1nc(-c2ccccc2)n[nH]1 ZINC000162140420 565306271 /nfs/dbraw/zinc/30/62/71/565306271.db2.gz YMUDJMRHVKADLR-UHFFFAOYSA-N 0 0 389.213 3.192 10 5 GGBERN Cc1c(NC(=O)N2CCO[C@H](C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000373843866 565306928 /nfs/dbraw/zinc/30/69/28/565306928.db2.gz MPDYRBCSQAOIQW-AWEZNQCLSA-N 0 0 384.230 3.308 10 5 GGBERN Cc1cc(Cl)c(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000296565188 565324516 /nfs/dbraw/zinc/32/45/16/565324516.db2.gz CTHFHBNTNPIOAM-TVQRCGJNSA-N 0 0 380.750 3.332 10 5 GGBERN Cc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000162706053 565325396 /nfs/dbraw/zinc/32/53/96/565325396.db2.gz CLHYEVONOUNDQO-UHFFFAOYSA-N 0 0 378.328 3.336 10 5 GGBERN CSc1cccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000187634099 565346831 /nfs/dbraw/zinc/34/68/31/565346831.db2.gz SWQNWYDYZMZBKB-JSGCOSHPSA-N 0 0 378.475 3.226 10 5 GGBERN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374719815 565352381 /nfs/dbraw/zinc/35/23/81/565352381.db2.gz WBOHLPDLEMWPDG-ZDUSSCGKSA-N 0 0 390.237 3.457 10 5 GGBERN CO[C@@H]1COCC[C@H]1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000297055529 565352905 /nfs/dbraw/zinc/35/29/05/565352905.db2.gz MFJBTRODDAYNLJ-IINYFYTJSA-N 0 0 387.230 3.046 10 5 GGBERN Cc1nc([C@H]2CCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000188018195 565370690 /nfs/dbraw/zinc/37/06/90/565370690.db2.gz KHFZOAVNSGBKLB-MRXNPFEDSA-N 0 0 381.479 3.069 10 5 GGBERN Cc1nc([C@@H]2CCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000188018169 565371223 /nfs/dbraw/zinc/37/12/23/565371223.db2.gz KHFZOAVNSGBKLB-INIZCTEOSA-N 0 0 381.479 3.069 10 5 GGBERN Cc1cnc(CCN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000167340993 565378194 /nfs/dbraw/zinc/37/81/94/565378194.db2.gz JMOSLURUHAPFPG-UHFFFAOYSA-N 0 0 389.886 3.185 10 5 GGBERN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274737843 565379523 /nfs/dbraw/zinc/37/95/23/565379523.db2.gz JHRKDXBWFOGSDH-LBPRGKRZSA-N 0 0 395.257 3.184 10 5 GGBERN O=C1[C@@H](Sc2nnc(C(F)(F)F)s2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000188149897 565383398 /nfs/dbraw/zinc/38/33/98/565383398.db2.gz JWZGWCPSRMKWIX-VIFPVBQESA-N 0 0 390.368 3.363 10 5 GGBERN O=C1[C@H](Sc2nnc(C(F)(F)F)s2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000188149920 565383557 /nfs/dbraw/zinc/38/35/57/565383557.db2.gz JWZGWCPSRMKWIX-SECBINFHSA-N 0 0 390.368 3.363 10 5 GGBERN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCOC2 ZINC000375395664 565384449 /nfs/dbraw/zinc/38/44/49/565384449.db2.gz YCOGGLTTYNWJSE-CYBMUJFWSA-N 0 0 375.244 3.062 10 5 GGBERN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCCOC2 ZINC000375395665 565384473 /nfs/dbraw/zinc/38/44/73/565384473.db2.gz YCOGGLTTYNWJSE-ZDUSSCGKSA-N 0 0 375.244 3.062 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCOC2 ZINC000375560763 565395294 /nfs/dbraw/zinc/39/52/94/565395294.db2.gz MMWVHHKKFBSVLR-HNNXBMFYSA-N 0 0 384.230 3.392 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC=C(c2ccco2)C1 ZINC000376027635 565419496 /nfs/dbraw/zinc/41/94/96/565419496.db2.gz YRCPRYQXFDTTIH-UHFFFAOYSA-N 0 0 378.182 3.275 10 5 GGBERN COc1ccc(NC(=O)CSc2nnc(C(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC000275755957 565425163 /nfs/dbraw/zinc/42/51/63/565425163.db2.gz YYTAENJBJJPQDY-UHFFFAOYSA-N 0 0 394.356 3.205 10 5 GGBERN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H]1CC[C@H](O)CC1 ZINC000275835089 565428983 /nfs/dbraw/zinc/42/89/83/565428983.db2.gz BUJZPHKCSTVZBZ-MGCOHNPYSA-N 0 0 391.649 3.386 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCCOC3)cc2[N+](=O)[O-])n1 ZINC000171697856 565446061 /nfs/dbraw/zinc/44/60/61/565446061.db2.gz PZPZJXYYZSMFGM-GFCCVEGCSA-N 0 0 379.463 3.420 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N(C)CCCCO)cc2[N+](=O)[O-])n1 ZINC000276540272 565452324 /nfs/dbraw/zinc/45/23/24/565452324.db2.gz ZVQWRBCNNQBLHM-UHFFFAOYSA-N 0 0 381.479 3.355 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000189254137 565454751 /nfs/dbraw/zinc/45/47/51/565454751.db2.gz VUUCNLZLLRXLRT-UHFFFAOYSA-N 0 0 395.209 3.305 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000189259810 565454796 /nfs/dbraw/zinc/45/47/96/565454796.db2.gz QMAKTMRACXJGJU-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000171917244 565457928 /nfs/dbraw/zinc/45/79/28/565457928.db2.gz JQRKLWLKUFZBFQ-JTQLQIEISA-N 0 0 382.825 3.143 10 5 GGBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000376893651 565458818 /nfs/dbraw/zinc/45/88/18/565458818.db2.gz PSVIFHPLUIASNV-SNVBAGLBSA-N 0 0 397.254 3.373 10 5 GGBERN NS(=O)(=O)c1cc(NCc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000301062525 565462577 /nfs/dbraw/zinc/46/25/77/565462577.db2.gz AFWAZPQHHWWXOC-UHFFFAOYSA-N 0 0 376.221 3.161 10 5 GGBERN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000189397879 565463536 /nfs/dbraw/zinc/46/35/36/565463536.db2.gz RNNMSPXIIJLAPC-HLUHBDAQSA-N 0 0 389.633 3.308 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(Br)s3)cc2N1 ZINC000301100001 565464093 /nfs/dbraw/zinc/46/40/93/565464093.db2.gz QJFUXFMXGFPVFI-UHFFFAOYSA-N 0 0 384.211 3.362 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccccc3Br)cc2N1 ZINC000301084165 565464128 /nfs/dbraw/zinc/46/41/28/565464128.db2.gz JFTVIPFJVZTALV-UHFFFAOYSA-N 0 0 378.182 3.300 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(Br)cc1Cl ZINC000301130789 565466259 /nfs/dbraw/zinc/46/62/59/565466259.db2.gz UNWIOBQFZQSEPH-UHFFFAOYSA-N 0 0 385.605 3.117 10 5 GGBERN CN(CCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301182827 565470385 /nfs/dbraw/zinc/47/03/85/565470385.db2.gz IPYKMOYKEDSCEX-UHFFFAOYSA-N 0 0 378.226 3.135 10 5 GGBERN COc1cnccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000189544287 565474415 /nfs/dbraw/zinc/47/44/15/565474415.db2.gz YISGRMSTRFAPMM-VIFPVBQESA-N 0 0 380.198 3.252 10 5 GGBERN CNC(=O)c1ccc(Nc2ccc(Cl)c(C[S@@](C)=O)c2)c([N+](=O)[O-])c1 ZINC000301272832 565476605 /nfs/dbraw/zinc/47/66/05/565476605.db2.gz HZIROQUFSGCLES-RUZDIDTESA-N 0 0 381.841 3.230 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1ccc(Br)cc1F ZINC000301326326 565478955 /nfs/dbraw/zinc/47/89/55/565478955.db2.gz ZAOPGLMAKPKNMU-UHFFFAOYSA-N 0 0 397.204 3.035 10 5 GGBERN O=C(C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301335713 565479583 /nfs/dbraw/zinc/47/95/83/565479583.db2.gz GEMQOQPKHWMKBH-UHFFFAOYSA-N 0 0 382.258 3.196 10 5 GGBERN CNS(=O)(=O)c1ccc(N[C@H]2C[C@@H]2c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000301373967 565481154 /nfs/dbraw/zinc/48/11/54/565481154.db2.gz VCEXXGUXBFOZKZ-HIFRSBDPSA-N 0 0 381.841 3.124 10 5 GGBERN Cc1c(NC(=O)N2CC3(C2)CCCOC3)cc(Br)cc1[N+](=O)[O-] ZINC000377527288 565484453 /nfs/dbraw/zinc/48/44/53/565484453.db2.gz ZKXJGMVCSWGDHY-UHFFFAOYSA-N 0 0 384.230 3.310 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1NCCCc1nnc2ccccn21 ZINC000301439860 565486300 /nfs/dbraw/zinc/48/63/00/565486300.db2.gz MFYKQMMQNODHOP-UHFFFAOYSA-N 0 0 376.214 3.445 10 5 GGBERN CC(C)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000172449141 565486240 /nfs/dbraw/zinc/48/62/40/565486240.db2.gz WKJIMOQHTNKBDZ-SECBINFHSA-N 0 0 376.194 3.221 10 5 GGBERN CC(C)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000172449137 565486304 /nfs/dbraw/zinc/48/63/04/565486304.db2.gz WKJIMOQHTNKBDZ-VIFPVBQESA-N 0 0 376.194 3.221 10 5 GGBERN Cc1cc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301472185 565488593 /nfs/dbraw/zinc/48/85/93/565488593.db2.gz KPJMECNNJXGJCA-SNVBAGLBSA-N 0 0 379.766 3.452 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@H](CC(F)(F)F)C1 ZINC000277316205 565489244 /nfs/dbraw/zinc/48/92/44/565489244.db2.gz CWQLEINKTYSIIY-MRVPVSSYSA-N 0 0 388.314 3.370 10 5 GGBERN O=C1[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CCCN1c1ccccc1 ZINC000301509713 565491485 /nfs/dbraw/zinc/49/14/85/565491485.db2.gz CSCLKDVGABEMPR-AWEZNQCLSA-N 0 0 391.225 3.360 10 5 GGBERN C[C@H]1CN(Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301521037 565492119 /nfs/dbraw/zinc/49/21/19/565492119.db2.gz GXBYUEUFSMACOL-ZDUSSCGKSA-N 0 0 391.269 3.463 10 5 GGBERN CS(=O)(=O)c1ccc(Sc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000301511348 565492141 /nfs/dbraw/zinc/49/21/41/565492141.db2.gz DDKTWLSSQHAMON-UHFFFAOYSA-N 0 0 389.252 3.307 10 5 GGBERN COc1cc(OC)c(CNc2ncc([N+](=O)[O-])cc2Br)c(OC)c1 ZINC000301548482 565494962 /nfs/dbraw/zinc/49/49/62/565494962.db2.gz QCEXNBBGYCCCAP-UHFFFAOYSA-N 0 0 398.213 3.390 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1NC[C@H](CO)c1ccccc1 ZINC000301562941 565495994 /nfs/dbraw/zinc/49/59/94/565495994.db2.gz IXGVJOOMXXSXPQ-GFCCVEGCSA-N 0 0 398.200 3.387 10 5 GGBERN CCOC(=O)c1sc([C@H](C)Nc2nc3sccn3c2[N+](=O)[O-])nc1C ZINC000301618003 565499594 /nfs/dbraw/zinc/49/95/94/565499594.db2.gz WLKIDIHNXJALFN-QMMMGPOBSA-N 0 0 381.439 3.419 10 5 GGBERN COc1ccc(Br)cc1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000172708809 565500344 /nfs/dbraw/zinc/50/03/44/565500344.db2.gz XYFBKNNXTZBXMU-UHFFFAOYSA-N 0 0 391.221 3.498 10 5 GGBERN COC(=O)[C@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301657188 565501982 /nfs/dbraw/zinc/50/19/82/565501982.db2.gz SHENRPDWVJHZDB-JMCQJSRRSA-N 0 0 382.722 3.034 10 5 GGBERN O=c1c(Br)cn(-c2ncnc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000301676639 565503380 /nfs/dbraw/zinc/50/33/80/565503380.db2.gz QHKZIHWFFXLVEK-UHFFFAOYSA-N 0 0 381.573 3.105 10 5 GGBERN COc1ccc(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(Cl)c1 ZINC000301669204 565503412 /nfs/dbraw/zinc/50/34/12/565503412.db2.gz PPPAWWCFWCQIPE-UHFFFAOYSA-N 0 0 384.841 3.315 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCCc3ccc(Br)s3)cc2N1 ZINC000301669914 565503724 /nfs/dbraw/zinc/50/37/24/565503724.db2.gz DYLVKLZKRFZGSB-UHFFFAOYSA-N 0 0 398.238 3.404 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NC1CCN(c2ccccn2)CC1 ZINC000301691804 565504370 /nfs/dbraw/zinc/50/43/70/565504370.db2.gz NYGHYVFHEMNBQW-UHFFFAOYSA-N 0 0 378.230 3.228 10 5 GGBERN O=[N+]([O-])c1cc(F)c(N2CCN(c3ccc(Br)cn3)CC2)c(F)c1 ZINC000301792950 565510949 /nfs/dbraw/zinc/51/09/49/565510949.db2.gz OVAMKQGWVPBYAA-UHFFFAOYSA-N 0 0 399.195 3.357 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1NCCc1csc(N2CCCC2)n1 ZINC000301880097 565515718 /nfs/dbraw/zinc/51/57/18/565515718.db2.gz PCHIPZTYQHUCQA-UHFFFAOYSA-N 0 0 398.286 3.464 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000301898725 565516162 /nfs/dbraw/zinc/51/61/62/565516162.db2.gz SMBPUUNPKLXWMD-SECBINFHSA-N 0 0 398.648 3.492 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000301896300 565516634 /nfs/dbraw/zinc/51/66/34/565516634.db2.gz YYSOONPSTYLJRH-AWEZNQCLSA-N 0 0 380.198 3.036 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000301936249 565520215 /nfs/dbraw/zinc/52/02/15/565520215.db2.gz RJZHCPFOHRLOLW-AWEZNQCLSA-N 0 0 380.198 3.036 10 5 GGBERN COc1ccc(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c(Cl)c1 ZINC000301944956 565520249 /nfs/dbraw/zinc/52/02/49/565520249.db2.gz ZWAPTONMNWSDAI-UHFFFAOYSA-N 0 0 390.870 3.376 10 5 GGBERN C[C@H](Cc1cccc(Br)c1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301960290 565521342 /nfs/dbraw/zinc/52/13/42/565521342.db2.gz HKVYKLMIMKPBMR-SNVBAGLBSA-N 0 0 376.214 3.443 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(NCCCc3cccc(Br)c3)nn21 ZINC000301965635 565522285 /nfs/dbraw/zinc/52/22/85/565522285.db2.gz KHAGBIFPYFUJKG-UHFFFAOYSA-N 0 0 376.214 3.445 10 5 GGBERN NC(=O)[C@@H](CNc1cc(Br)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000302003573 565524018 /nfs/dbraw/zinc/52/40/18/565524018.db2.gz YJKRARNUYLFIDI-LLVKDONJSA-N 0 0 396.216 3.253 10 5 GGBERN NC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000302004500 565524478 /nfs/dbraw/zinc/52/44/78/565524478.db2.gz ZDWRYLBEXWPDEH-NSHDSACASA-N 0 0 396.216 3.253 10 5 GGBERN NC(=O)[C@H](CNc1cc(Br)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000302003574 565524489 /nfs/dbraw/zinc/52/44/89/565524489.db2.gz YJKRARNUYLFIDI-NSHDSACASA-N 0 0 396.216 3.253 10 5 GGBERN COc1ccc(Br)cc1CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000173081044 565525988 /nfs/dbraw/zinc/52/59/88/565525988.db2.gz QYDNJBXUSGFRNB-UHFFFAOYSA-N 0 0 391.221 3.498 10 5 GGBERN Cc1noc([C@H](C)N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000302026162 565527119 /nfs/dbraw/zinc/52/71/19/565527119.db2.gz KZDZQHMTHICJAW-VIFPVBQESA-N 0 0 386.239 3.476 10 5 GGBERN C[C@@H]1CCOCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000378445134 565527624 /nfs/dbraw/zinc/52/76/24/565527624.db2.gz RSIMTULWZNLTLK-MRVPVSSYSA-N 0 0 377.622 3.262 10 5 GGBERN CSc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000190386665 565528169 /nfs/dbraw/zinc/52/81/69/565528169.db2.gz XFJNUOLSEDLFRT-UHFFFAOYSA-N 0 0 378.479 3.490 10 5 GGBERN CC1(C)CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000190395476 565528625 /nfs/dbraw/zinc/52/86/25/565528625.db2.gz DCATZJRIRSPDOK-CYBMUJFWSA-N 0 0 380.388 3.335 10 5 GGBERN CC1(C)CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000190395454 565529123 /nfs/dbraw/zinc/52/91/23/565529123.db2.gz DCATZJRIRSPDOK-ZDUSSCGKSA-N 0 0 380.388 3.335 10 5 GGBERN CC1(C)CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000190401263 565529187 /nfs/dbraw/zinc/52/91/87/565529187.db2.gz ITUKOASVCIJRPB-ZDUSSCGKSA-N 0 0 380.388 3.335 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302169203 565533433 /nfs/dbraw/zinc/53/34/33/565533433.db2.gz LDKNMPFJNADCLX-UHFFFAOYSA-N 0 0 394.229 3.397 10 5 GGBERN Cc1noc(C)c1CO[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000302180909 565534833 /nfs/dbraw/zinc/53/48/33/565534833.db2.gz YJBJOXXBPSKBBX-LBPRGKRZSA-N 0 0 397.229 3.153 10 5 GGBERN CS(=O)(=O)c1cc(N2Cc3ccc(Br)cc3C2)ccc1[N+](=O)[O-] ZINC000302187398 565535742 /nfs/dbraw/zinc/53/57/42/565535742.db2.gz WCMRCTANBQWIHC-UHFFFAOYSA-N 0 0 397.250 3.281 10 5 GGBERN CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000173227972 565538827 /nfs/dbraw/zinc/53/88/27/565538827.db2.gz CKTLIRRYKGKNCD-VIFPVBQESA-N 0 0 375.497 3.365 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)n1 ZINC000378648876 565538994 /nfs/dbraw/zinc/53/89/94/565538994.db2.gz LWMVLMZWRAVYOF-MRVPVSSYSA-N 0 0 385.243 3.130 10 5 GGBERN CCc1n[nH]c(C(=O)N[C@H](C)c2ccc(Br)cc2OC)c1[N+](=O)[O-] ZINC000190623031 565545905 /nfs/dbraw/zinc/54/59/05/565545905.db2.gz NGRJQTXDWYYIDP-MRVPVSSYSA-N 0 0 397.229 3.142 10 5 GGBERN COc1cc(Br)ccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302552325 565546144 /nfs/dbraw/zinc/54/61/44/565546144.db2.gz WLHCOFBZGYXJJR-UHFFFAOYSA-N 0 0 378.186 3.021 10 5 GGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(Br)cc1OC ZINC000302560647 565546625 /nfs/dbraw/zinc/54/66/25/565546625.db2.gz ZVJROGDQZDQCGJ-UHFFFAOYSA-N 0 0 394.225 3.338 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCN(c2nccs2)CC1 ZINC000278260401 565547767 /nfs/dbraw/zinc/54/77/67/565547767.db2.gz XPXDNHJGVGHVMP-UHFFFAOYSA-N 0 0 380.857 3.366 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ncc(C(F)(F)F)s2)CC1 ZINC000302657309 565548586 /nfs/dbraw/zinc/54/85/86/565548586.db2.gz AIOJHFCREMKFIJ-UHFFFAOYSA-N 0 0 392.384 3.094 10 5 GGBERN O=[N+]([O-])c1ccc(NCCCc2nnc3ccccn32)c(Br)c1 ZINC000302637427 565548804 /nfs/dbraw/zinc/54/88/04/565548804.db2.gz HPFLVOWDOHHUBG-UHFFFAOYSA-N 0 0 376.214 3.445 10 5 GGBERN CC1(C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000302735251 565552949 /nfs/dbraw/zinc/55/29/49/565552949.db2.gz WEVDQCZVNAMSHE-ZDUSSCGKSA-N 0 0 380.388 3.413 10 5 GGBERN CC1(C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000302735249 565553562 /nfs/dbraw/zinc/55/35/62/565553562.db2.gz WEVDQCZVNAMSHE-CYBMUJFWSA-N 0 0 380.388 3.413 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000278408827 565556759 /nfs/dbraw/zinc/55/67/59/565556759.db2.gz YJZWXPZTGLTQSG-RNCFNFMXSA-N 0 0 380.750 3.332 10 5 GGBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC2(CCCC2)O1 ZINC000190770276 565557157 /nfs/dbraw/zinc/55/71/57/565557157.db2.gz KRPNJKPOIPAVSX-UHFFFAOYSA-N 0 0 388.873 3.361 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000173600812 565570617 /nfs/dbraw/zinc/57/06/17/565570617.db2.gz LDNZNBXZVSJVQG-AWEZNQCLSA-N 0 0 388.873 3.361 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408003314 565590687 /nfs/dbraw/zinc/59/06/87/565590687.db2.gz IABQASRSTYPXCW-HUUCEWRRSA-N 0 0 383.242 3.449 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000408208741 565599499 /nfs/dbraw/zinc/59/94/99/565599499.db2.gz ALZKPMLBNSEQIT-OAHLLOKOSA-N 0 0 388.873 3.218 10 5 GGBERN C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2O1 ZINC000173927567 565599784 /nfs/dbraw/zinc/59/97/84/565599784.db2.gz GRYDMVAKOGXSTD-NSHDSACASA-N 0 0 382.825 3.366 10 5 GGBERN CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)C[C@@]2(CCOC2)O1 ZINC000408337688 565603793 /nfs/dbraw/zinc/60/37/93/565603793.db2.gz VTIGZLHYKPTYOO-MLGOLLRUSA-N 0 0 385.258 3.440 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@]2(CCCOC2)C1 ZINC000408387664 565607484 /nfs/dbraw/zinc/60/74/84/565607484.db2.gz XNYZGVYYRRCSRS-INIZCTEOSA-N 0 0 383.242 3.390 10 5 GGBERN CCN(Cc1cc(Br)ccc1F)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191503735 565609131 /nfs/dbraw/zinc/60/91/31/565609131.db2.gz IEANMJHTFMVNPI-UHFFFAOYSA-N 0 0 399.220 3.375 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CCc2ccc(Br)cc2)n1 ZINC000191568886 565613345 /nfs/dbraw/zinc/61/33/45/565613345.db2.gz VXLHSOWHWTVZSS-LLVKDONJSA-N 0 0 395.257 3.325 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Br)c3)CCC2)n1 ZINC000191566290 565613605 /nfs/dbraw/zinc/61/36/05/565613605.db2.gz ZWQRYJLPOCUHOW-UHFFFAOYSA-N 0 0 393.241 3.383 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@H]1c1ccncc1 ZINC000323480740 565613616 /nfs/dbraw/zinc/61/36/16/565613616.db2.gz ZZMUVNCPKRRYBP-ZDUSSCGKSA-N 0 0 377.198 3.125 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H](c2ccccc2)C1 ZINC000323565835 565614330 /nfs/dbraw/zinc/61/43/30/565614330.db2.gz WLDPXBRLEFVCAO-LBPRGKRZSA-N 0 0 376.210 3.382 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3c(Br)cc(C)cc3C2)n1 ZINC000191717568 565624230 /nfs/dbraw/zinc/62/42/30/565624230.db2.gz DHPXOTBCHKMJFO-UHFFFAOYSA-N 0 0 393.241 3.081 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)c(F)cc2F)n1 ZINC000191720979 565625657 /nfs/dbraw/zinc/62/56/57/565625657.db2.gz PLWRCYOKFSFDCD-UHFFFAOYSA-N 0 0 375.129 3.104 10 5 GGBERN Cc1ccccc1[C@]1(F)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000409658187 565631662 /nfs/dbraw/zinc/63/16/62/565631662.db2.gz RZYJVWLFVUWHKE-INIZCTEOSA-N 0 0 384.454 3.443 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2C(F)F)c(Br)c1 ZINC000409896009 565647706 /nfs/dbraw/zinc/64/77/06/565647706.db2.gz HZMPVLPGUFIYCP-JTQLQIEISA-N 0 0 399.213 3.166 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c1 ZINC000409926452 565649531 /nfs/dbraw/zinc/64/95/31/565649531.db2.gz VKXIVVMQCIJHQI-LLVKDONJSA-N 0 0 399.213 3.166 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](c2nccs2)C1 ZINC000175116395 565679978 /nfs/dbraw/zinc/67/99/78/565679978.db2.gz OQQJBYPPDDNPFA-ZDUSSCGKSA-N 0 0 381.479 3.236 10 5 GGBERN C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1n1ccnc1 ZINC000192366651 565683578 /nfs/dbraw/zinc/68/35/78/565683578.db2.gz CVSDWMLIBBQCDC-FZMZJTMJSA-N 0 0 393.241 3.277 10 5 GGBERN Cc1ccc([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CCO2)o1 ZINC000192374353 565683741 /nfs/dbraw/zinc/68/37/41/565683741.db2.gz NFPDWGCEDNQXME-CQSZACIVSA-N 0 0 395.209 3.472 10 5 GGBERN Cc1c(NC(=O)NCCCn2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000280675931 565688238 /nfs/dbraw/zinc/68/82/38/565688238.db2.gz FJBSJBONGCJADU-UHFFFAOYSA-N 0 0 382.218 3.074 10 5 GGBERN Cc1nn(C)c(C)c1OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280736753 565692312 /nfs/dbraw/zinc/69/23/12/565692312.db2.gz OQMJHNIUZSQUKU-UHFFFAOYSA-N 0 0 397.229 3.034 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(F)(F)F)C1CCCC1 ZINC000175305003 565692668 /nfs/dbraw/zinc/69/26/68/565692668.db2.gz SQVNZXSTSOTGLE-UHFFFAOYSA-N 0 0 382.360 3.099 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@H]2C[C@H](C)O)cc(Br)cc1[N+](=O)[O-] ZINC000280734033 565692908 /nfs/dbraw/zinc/69/29/08/565692908.db2.gz KTOWAMIEJPWFJU-CABZTGNLSA-N 0 0 386.246 3.433 10 5 GGBERN Cc1c(NC(=O)NC[C@](C)(O)c2ccco2)cc(Br)cc1[N+](=O)[O-] ZINC000280749707 565693404 /nfs/dbraw/zinc/69/34/04/565693404.db2.gz MKEAJUIHTDMIAR-HNNXBMFYSA-N 0 0 398.213 3.288 10 5 GGBERN Cc1c(NC(=O)N(C)CCn2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000280754531 565694019 /nfs/dbraw/zinc/69/40/19/565694019.db2.gz MWDVTSMWOMJOBM-UHFFFAOYSA-N 0 0 382.218 3.026 10 5 GGBERN CCCC(=O)N1CCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280764669 565694942 /nfs/dbraw/zinc/69/49/42/565694942.db2.gz QZHFOVWFANUSLY-ZDUSSCGKSA-N 0 0 398.257 3.395 10 5 GGBERN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[nH]n1 ZINC000280820009 565697849 /nfs/dbraw/zinc/69/78/49/565697849.db2.gz TZYDBDWFMSARPN-MRVPVSSYSA-N 0 0 396.245 3.450 10 5 GGBERN Cc1cc(C[C@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[nH]n1 ZINC000280820013 565698186 /nfs/dbraw/zinc/69/81/86/565698186.db2.gz TZYDBDWFMSARPN-QMMMGPOBSA-N 0 0 396.245 3.450 10 5 GGBERN CCOCCO[C@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280839188 565699069 /nfs/dbraw/zinc/69/90/69/565699069.db2.gz YSILXXQUIBJPRK-SNVBAGLBSA-N 0 0 375.219 3.046 10 5 GGBERN CCOCCO[C@@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280839184 565699080 /nfs/dbraw/zinc/69/90/80/565699080.db2.gz YSILXXQUIBJPRK-JTQLQIEISA-N 0 0 375.219 3.046 10 5 GGBERN Cc1c(NC(=O)[C@@H](C)OC[C@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280845381 565699951 /nfs/dbraw/zinc/69/99/51/565699951.db2.gz ZFFGTHPLGSVXEE-ZYHUDNBSSA-N 0 0 387.230 3.188 10 5 GGBERN COC(=O)[C@H](CC(C)C)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000410949606 565701082 /nfs/dbraw/zinc/70/10/82/565701082.db2.gz WPHRVALSNKCWIJ-ZDUSSCGKSA-N 0 0 387.230 3.017 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000330477760 565708816 /nfs/dbraw/zinc/70/88/16/565708816.db2.gz WSUNOTSVJZMEKU-WPRPVWTQSA-N 0 0 384.230 3.442 10 5 GGBERN Cc1c(NC(=O)C(=O)N(C)C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000281128264 565713532 /nfs/dbraw/zinc/71/35/32/565713532.db2.gz ODUOLUFQALJAEG-UHFFFAOYSA-N 0 0 384.230 3.005 10 5 GGBERN CC(=O)NC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCCC1 ZINC000330589777 565713609 /nfs/dbraw/zinc/71/36/09/565713609.db2.gz ZPMKMFWRBSAHDW-UHFFFAOYSA-N 0 0 384.230 3.135 10 5 GGBERN CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000330711963 565720039 /nfs/dbraw/zinc/72/00/39/565720039.db2.gz ASSHNBPRCYWUSD-ZFWWWQNUSA-N 0 0 399.285 3.155 10 5 GGBERN O=C(c1cc(N2CCC=C(Br)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000281616683 565739898 /nfs/dbraw/zinc/73/98/98/565739898.db2.gz JTKGTRLDRADLAO-UHFFFAOYSA-N 0 0 380.242 3.320 10 5 GGBERN Cc1sc(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000176082341 565746885 /nfs/dbraw/zinc/74/68/85/565746885.db2.gz ZSVHVLGXKWBCJW-LLVKDONJSA-N 0 0 380.447 3.140 10 5 GGBERN Cn1cc([C@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C(F)(F)F)cn1 ZINC000282583579 565787261 /nfs/dbraw/zinc/78/72/61/565787261.db2.gz WFEBDLYVECPDDT-LBPRGKRZSA-N 0 0 393.163 3.484 10 5 GGBERN Cn1cc([C@@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C(F)(F)F)cn1 ZINC000282583572 565787282 /nfs/dbraw/zinc/78/72/82/565787282.db2.gz WFEBDLYVECPDDT-GFCCVEGCSA-N 0 0 393.163 3.484 10 5 GGBERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282640524 565789855 /nfs/dbraw/zinc/78/98/55/565789855.db2.gz LCMFORYOJPLOEQ-LBPRGKRZSA-N 0 0 394.229 3.290 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000412469272 565790836 /nfs/dbraw/zinc/79/08/36/565790836.db2.gz XZMQAXGXCSWKLB-OAHLLOKOSA-N 0 0 383.242 3.307 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000194433540 565815343 /nfs/dbraw/zinc/81/53/43/565815343.db2.gz MCCVOCVYDQWFBX-CZUORRHYSA-N 0 0 382.463 3.103 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCn2c(Br)cnc2C1 ZINC000283811170 565831798 /nfs/dbraw/zinc/83/17/98/565831798.db2.gz ROOGUIJOILMSPM-UHFFFAOYSA-N 0 0 399.632 3.172 10 5 GGBERN COc1ccc(-c2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)cn1 ZINC000177446774 565851856 /nfs/dbraw/zinc/85/18/56/565851856.db2.gz BMKNTDKAEINIHQ-UHFFFAOYSA-N 0 0 377.154 3.478 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)Oc2ccc(Br)cc21 ZINC000195270508 565870737 /nfs/dbraw/zinc/87/07/37/565870737.db2.gz MLWXTUCSEULHDG-SECBINFHSA-N 0 0 392.209 3.488 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Br)c(F)c2)s1 ZINC000195342706 565876914 /nfs/dbraw/zinc/87/69/14/565876914.db2.gz OWQJZLCFUKFIND-UHFFFAOYSA-N 0 0 395.231 3.036 10 5 GGBERN Cc1cc(I)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195520162 565889518 /nfs/dbraw/zinc/88/95/18/565889518.db2.gz IFSYHVNJSGRSLV-UHFFFAOYSA-N 0 0 397.172 3.464 10 5 GGBERN Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[nH]n1 ZINC000285389546 565904854 /nfs/dbraw/zinc/90/48/54/565904854.db2.gz UZZTWXMVNLLVSL-QMMMGPOBSA-N 0 0 381.230 3.058 10 5 GGBERN Cc1sc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000178223942 565906389 /nfs/dbraw/zinc/90/63/89/565906389.db2.gz YGRDUBMRKIZLKI-GFCCVEGCSA-N 0 0 379.825 3.153 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000333985198 565907378 /nfs/dbraw/zinc/90/73/78/565907378.db2.gz YWYLWUNSBYCCRW-UWVGGRQHSA-N 0 0 384.230 3.490 10 5 GGBERN COc1ccc(CS(C)(=O)=O)cc1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000285519151 565911319 /nfs/dbraw/zinc/91/13/19/565911319.db2.gz ODRLTTDRMXJZSC-UHFFFAOYSA-N 0 0 384.841 3.414 10 5 GGBERN Cn1nccc1C1=CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000285505732 565911966 /nfs/dbraw/zinc/91/19/66/565911966.db2.gz FPSSBLXLZBBRMT-UHFFFAOYSA-N 0 0 377.242 3.380 10 5 GGBERN Cn1nccc1C1=CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000285539154 565912946 /nfs/dbraw/zinc/91/29/46/565912946.db2.gz AGWPUNJIASRCIX-UHFFFAOYSA-N 0 0 391.225 3.020 10 5 GGBERN Cc1cnc(CCN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1 ZINC000286468992 565962035 /nfs/dbraw/zinc/96/20/35/565962035.db2.gz PCCQMLJVFIJPTO-UHFFFAOYSA-N 0 0 393.849 3.015 10 5 GGBERN Cn1nccc1C1=CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000286532974 565965939 /nfs/dbraw/zinc/96/59/39/565965939.db2.gz YROLCZJNNSOLDE-UHFFFAOYSA-N 0 0 391.225 3.020 10 5 GGBERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000179224171 565966766 /nfs/dbraw/zinc/96/67/66/565966766.db2.gz YJHZQBOPSKOZTE-KCJUWKMLSA-N 0 0 391.649 3.292 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3ccc(Cl)nc3)CC2)s1 ZINC000362281362 565978465 /nfs/dbraw/zinc/97/84/65/565978465.db2.gz OQAYQSVNSBAVNV-UHFFFAOYSA-N 0 0 385.854 3.183 10 5 GGBERN O=C(Cn1cc([N+](=O)[O-])cn1)N(c1nccs1)c1ccc(F)c(Cl)c1 ZINC000179419925 565979898 /nfs/dbraw/zinc/97/98/98/565979898.db2.gz QZGXANAFBFYXTN-UHFFFAOYSA-N 0 0 381.776 3.405 10 5 GGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H]1c1cc[nH]n1 ZINC000287179549 566002646 /nfs/dbraw/zinc/00/26/46/566002646.db2.gz SRFNMSYQOPYBMU-LLVKDONJSA-N 0 0 383.177 3.197 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC(OCC3CC3)CC2)cc1[N+](=O)[O-] ZINC000363493901 566009019 /nfs/dbraw/zinc/00/90/19/566009019.db2.gz WCYJJXWGFRUOCX-UHFFFAOYSA-N 0 0 388.873 3.136 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000363575022 566011594 /nfs/dbraw/zinc/01/15/94/566011594.db2.gz ASCKNQDNDMDGKE-LLVKDONJSA-N 0 0 385.207 3.047 10 5 GGBERN Cc1ccnc(C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)n1 ZINC000363773272 566021043 /nfs/dbraw/zinc/02/10/43/566021043.db2.gz BURZBVRRRWYIPO-UHFFFAOYSA-N 0 0 378.230 3.235 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)cc([N+](=O)[O-])c1F ZINC000180076831 566030580 /nfs/dbraw/zinc/03/05/80/566030580.db2.gz IFXUPOCOIBYCNP-LLVKDONJSA-N 0 0 385.442 3.067 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000180121582 566034359 /nfs/dbraw/zinc/03/43/59/566034359.db2.gz LIZJJBJWKKYHMV-LLVKDONJSA-N 0 0 384.845 3.196 10 5 GGBERN Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180196549 566043136 /nfs/dbraw/zinc/04/31/36/566043136.db2.gz MVNOIJOCAWGBRH-VIFPVBQESA-N 0 0 387.845 3.243 10 5 GGBERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc([N+](=O)[O-])ccc1Br ZINC000246823114 566043109 /nfs/dbraw/zinc/04/31/09/566043109.db2.gz QBNKGNPFQLCLOR-NILFDRSVSA-N 0 0 395.253 3.435 10 5 GGBERN CCN(CCc1nccs1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180205995 566044170 /nfs/dbraw/zinc/04/41/70/566044170.db2.gz YCKMJTCGXZSWQK-UHFFFAOYSA-N 0 0 389.886 3.266 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000287879557 566045365 /nfs/dbraw/zinc/04/53/65/566045365.db2.gz NXUDRRSTYZPSMT-CQSZACIVSA-N 0 0 380.750 3.476 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn2cc(Br)cnc12 ZINC000180306681 566053539 /nfs/dbraw/zinc/05/35/39/566053539.db2.gz RBLAJKKQLWFIMG-UHFFFAOYSA-N 0 0 390.197 3.269 10 5 GGBERN Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000416371414 566058326 /nfs/dbraw/zinc/05/83/26/566058326.db2.gz LXDKMWOYUQDVKB-UHFFFAOYSA-N 0 0 378.328 3.336 10 5 GGBERN Cc1csc([C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C2CC2)n1 ZINC000416406371 566063776 /nfs/dbraw/zinc/06/37/76/566063776.db2.gz FLOMUEMIGTVKDG-HNNXBMFYSA-N 0 0 381.479 3.406 10 5 GGBERN CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000416404576 566064056 /nfs/dbraw/zinc/06/40/56/566064056.db2.gz WYGOGWPUATUMGI-VIFPVBQESA-N 0 0 395.384 3.500 10 5 GGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364738514 566066803 /nfs/dbraw/zinc/06/68/03/566066803.db2.gz LIZYLNFPYQPRNJ-CQSZACIVSA-N 0 0 392.209 3.348 10 5 GGBERN CC(C)(C)c1ccc(S(=O)(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)s1 ZINC000416457868 566070384 /nfs/dbraw/zinc/07/03/84/566070384.db2.gz PFACQTNSSMGVSP-UHFFFAOYSA-N 0 0 381.479 3.096 10 5 GGBERN Cc1cnn([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)c1 ZINC000180562244 566072723 /nfs/dbraw/zinc/07/27/23/566072723.db2.gz SKCWORCYYFBBHS-GFCCVEGCSA-N 0 0 393.241 3.340 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H](Oc2cccnc2)C1 ZINC000180587647 566074699 /nfs/dbraw/zinc/07/46/99/566074699.db2.gz UMCHVUKPLZNJQH-GFCCVEGCSA-N 0 0 392.209 3.046 10 5 GGBERN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180660980 566080317 /nfs/dbraw/zinc/08/03/17/566080317.db2.gz ZBFPFXDWIWXVJK-JTQLQIEISA-N 0 0 378.226 3.301 10 5 GGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000365077438 566081331 /nfs/dbraw/zinc/08/13/31/566081331.db2.gz MLNDVXSPIFCRDY-HUUCEWRRSA-N 0 0 382.203 3.027 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCO[C@H](C2CCC2)C1 ZINC000416574818 566089478 /nfs/dbraw/zinc/08/94/78/566089478.db2.gz YVKZCWMEQZPVPP-ZDUSSCGKSA-N 0 0 395.264 3.091 10 5 GGBERN Cc1cc([N+](=O)[O-])cnc1NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181030122 566106812 /nfs/dbraw/zinc/10/68/12/566106812.db2.gz JGHTVVRFPXPYBH-UHFFFAOYSA-N 0 0 389.213 3.458 10 5 GGBERN Cc1c(C(=O)N[C@@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181090013 566112946 /nfs/dbraw/zinc/11/29/46/566112946.db2.gz ANOKCIIVGDRZRL-AWEZNQCLSA-N 0 0 379.210 3.129 10 5 GGBERN Cc1c(CC(=O)N[C@@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181098795 566114600 /nfs/dbraw/zinc/11/46/00/566114600.db2.gz SVOXJIUCZONHKH-HNNXBMFYSA-N 0 0 393.237 3.058 10 5 GGBERN Cc1cc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc([N+](=O)[O-])c1 ZINC000181104783 566114874 /nfs/dbraw/zinc/11/48/74/566114874.db2.gz DUQCLGPPHYBEID-OAHLLOKOSA-N 0 0 379.210 3.129 10 5 GGBERN Cc1cc(C(=O)N[C@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000181129661 566118189 /nfs/dbraw/zinc/11/81/89/566118189.db2.gz LLYCNZKYMJMBID-CQSZACIVSA-N 0 0 379.210 3.129 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2CCC[C@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000417073181 566123871 /nfs/dbraw/zinc/12/38/71/566123871.db2.gz JHGRNDCTFFDQKF-CMPLNLGQSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181297783 566131345 /nfs/dbraw/zinc/13/13/45/566131345.db2.gz JVZVGUHXQZPVAS-UHFFFAOYSA-N 0 0 379.825 3.469 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000289692242 566135063 /nfs/dbraw/zinc/13/50/63/566135063.db2.gz NWUYPRSPNXIINI-PELKAZGASA-N 0 0 381.738 3.415 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000289692255 566135090 /nfs/dbraw/zinc/13/50/90/566135090.db2.gz NWUYPRSPNXIINI-UFBFGSQYSA-N 0 0 381.738 3.415 10 5 GGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000181450096 566141018 /nfs/dbraw/zinc/14/10/18/566141018.db2.gz WVGVLTFNFFVTSG-CQSZACIVSA-N 0 0 378.372 3.235 10 5 GGBERN Cn1cccc1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000366695800 566164400 /nfs/dbraw/zinc/16/44/00/566164400.db2.gz CBJOMJYQHMKGMM-CQSZACIVSA-N 0 0 393.241 3.458 10 5 GGBERN Cc1c(NC(=O)C(=O)NC23CCC(CC2)C3)cc(Br)cc1[N+](=O)[O-] ZINC000366756019 566167222 /nfs/dbraw/zinc/16/72/22/566167222.db2.gz JQCSBNBYAXKDEN-UHFFFAOYSA-N 0 0 396.241 3.053 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCO[C@H](c2cccs2)C1 ZINC000366821555 566172230 /nfs/dbraw/zinc/17/22/30/566172230.db2.gz QUASPXFONHUULD-NSHDSACASA-N 0 0 398.238 3.028 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCO[C@@H](c2cccs2)C1 ZINC000366821553 566172377 /nfs/dbraw/zinc/17/23/77/566172377.db2.gz QUASPXFONHUULD-LLVKDONJSA-N 0 0 398.238 3.028 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000366933392 566176447 /nfs/dbraw/zinc/17/64/47/566176447.db2.gz LGZWQVBTGPITGC-UHFFFAOYSA-N 0 0 393.241 3.409 10 5 GGBERN COC(=O)c1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1Br ZINC000181994336 566176727 /nfs/dbraw/zinc/17/67/27/566176727.db2.gz QESJRVNTVCANJF-UHFFFAOYSA-N 0 0 385.195 3.458 10 5 GGBERN COC(=O)c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1Br ZINC000182001526 566177224 /nfs/dbraw/zinc/17/72/24/566177224.db2.gz XANQEZSULPTYKV-UHFFFAOYSA-N 0 0 393.193 3.325 10 5 GGBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1Br ZINC000181993607 566177442 /nfs/dbraw/zinc/17/74/42/566177442.db2.gz HFVOURSILMKPQW-UHFFFAOYSA-N 0 0 385.195 3.458 10 5 GGBERN Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000366999531 566180709 /nfs/dbraw/zinc/18/07/09/566180709.db2.gz WRBROXHXVNJLCF-SNVBAGLBSA-N 0 0 379.214 3.149 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000367141604 566186942 /nfs/dbraw/zinc/18/69/42/566186942.db2.gz USCNDDTUZYJXSD-CQSZACIVSA-N 0 0 392.209 3.314 10 5 GGBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(C(F)(F)F)cc1Br ZINC000182189546 566187551 /nfs/dbraw/zinc/18/75/51/566187551.db2.gz YMDTXTKKYRZMFL-UHFFFAOYSA-N 0 0 393.119 3.211 10 5 GGBERN O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1cc(F)ccc1Br ZINC000182279336 566194433 /nfs/dbraw/zinc/19/44/33/566194433.db2.gz XMVYIKACCLVOJY-LLVKDONJSA-N 0 0 386.173 3.315 10 5 GGBERN Cn1cc([C@H]2CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000182631764 566216608 /nfs/dbraw/zinc/21/66/08/566216608.db2.gz MTWAMCWYFMMHFH-CYBMUJFWSA-N 0 0 380.857 3.438 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2nccs2)C1 ZINC000182726239 566221142 /nfs/dbraw/zinc/22/11/42/566221142.db2.gz XXQUAMKOHBOPRQ-LBPRGKRZSA-N 0 0 399.881 3.397 10 5 GGBERN CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368042577 566228958 /nfs/dbraw/zinc/22/89/58/566228958.db2.gz LTKREBZAIPGPQU-NSHDSACASA-N 0 0 389.861 3.069 10 5 GGBERN Cc1cc(C(=O)NCC(=O)N[C@@H](C)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000183083644 566237013 /nfs/dbraw/zinc/23/70/13/566237013.db2.gz BCOCNMOQXFTTPS-JTQLQIEISA-N 0 0 381.841 3.225 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000183326002 566244251 /nfs/dbraw/zinc/24/42/51/566244251.db2.gz LSOXFUUWZJHGDS-UHFFFAOYSA-N 0 0 393.241 3.131 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C[C@@H](C)c2nccs2)c1 ZINC000183339530 566244574 /nfs/dbraw/zinc/24/45/74/566244574.db2.gz MGUZYGHOVRBMTF-SNVBAGLBSA-N 0 0 389.886 3.437 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC(c2nnc3n2CCC3)CC1 ZINC000368895397 566247211 /nfs/dbraw/zinc/24/72/11/566247211.db2.gz YPIFVAWNXFJQMR-UHFFFAOYSA-N 0 0 392.257 3.279 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](CO)c1ccccc1 ZINC000183508248 566248106 /nfs/dbraw/zinc/24/81/06/566248106.db2.gz JDAFGTIODLFDCJ-CYBMUJFWSA-N 0 0 380.853 3.233 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](O)Cc1ccccc1 ZINC000183513798 566248131 /nfs/dbraw/zinc/24/81/31/566248131.db2.gz ZQUXITJASXKVPQ-AWEZNQCLSA-N 0 0 380.853 3.060 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](CO)c1ccccc1 ZINC000183508228 566248140 /nfs/dbraw/zinc/24/81/40/566248140.db2.gz JDAFGTIODLFDCJ-ZDUSSCGKSA-N 0 0 380.853 3.233 10 5 GGBERN O=[N+]([O-])c1cnc(NCC[C@H]2COc3ccccc3O2)c(Br)c1 ZINC000481812176 566253870 /nfs/dbraw/zinc/25/38/70/566253870.db2.gz DFFRVZYMYYPKMB-NSHDSACASA-N 0 0 380.198 3.394 10 5 GGBERN CCOC(=O)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555872518 566256951 /nfs/dbraw/zinc/25/69/51/566256951.db2.gz JOFOYPZLDCULSJ-VIFPVBQESA-N 0 0 387.230 3.127 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1ccccc1O ZINC000555885401 566258315 /nfs/dbraw/zinc/25/83/15/566258315.db2.gz PNBFLBJGABLZEI-UHFFFAOYSA-N 0 0 379.210 3.344 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000599404305 566261998 /nfs/dbraw/zinc/26/19/98/566261998.db2.gz OUHFMBONDYLKEX-MNOVXSKESA-N 0 0 376.887 3.215 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000599413065 566262276 /nfs/dbraw/zinc/26/22/76/566262276.db2.gz VSUSZRALXVABES-OAHLLOKOSA-N 0 0 381.841 3.463 10 5 GGBERN O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445001266 566262889 /nfs/dbraw/zinc/26/28/89/566262889.db2.gz SSINNVJOVASUDT-LLVKDONJSA-N 0 0 375.690 3.382 10 5 GGBERN CC1(C)CC(=O)CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000599415124 566264520 /nfs/dbraw/zinc/26/45/20/566264520.db2.gz KJSXEJANKCLREQ-UHFFFAOYSA-N 0 0 395.264 3.281 10 5 GGBERN CCC(F)(F)C(C)(C)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000599445794 566266309 /nfs/dbraw/zinc/26/63/09/566266309.db2.gz REPQDMBDPLRINS-UHFFFAOYSA-N 0 0 384.376 3.092 10 5 GGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000599467078 566267695 /nfs/dbraw/zinc/26/76/95/566267695.db2.gz QYWDOMKRSGSHFT-XOKHGSTOSA-N 0 0 378.837 3.006 10 5 GGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1 ZINC000599467210 566268090 /nfs/dbraw/zinc/26/80/90/566268090.db2.gz UKOAXMJKBSGCEI-HYVNUMGLSA-N 0 0 378.837 3.006 10 5 GGBERN COc1cc(Br)ccc1[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000599573093 566276152 /nfs/dbraw/zinc/27/61/52/566276152.db2.gz MDBJCOAZYOIXDR-AWEZNQCLSA-N 0 0 395.257 3.400 10 5 GGBERN CCn1c2ccc(Br)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000535083103 566276272 /nfs/dbraw/zinc/27/62/72/566276272.db2.gz JLRBUSKQUOKTBF-UHFFFAOYSA-N 0 0 390.197 3.374 10 5 GGBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599583827 566277083 /nfs/dbraw/zinc/27/70/83/566277083.db2.gz XQCYMTLKYLNPAT-VIFPVBQESA-N 0 0 395.257 3.069 10 5 GGBERN CCc1cnc(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])s1 ZINC000599605487 566278936 /nfs/dbraw/zinc/27/89/36/566278936.db2.gz YFCKXDINIHCFGA-UHFFFAOYSA-N 0 0 384.255 3.349 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000599623846 566280176 /nfs/dbraw/zinc/28/01/76/566280176.db2.gz VMSXPZIZIVVUEO-INIZCTEOSA-N 0 0 383.242 3.390 10 5 GGBERN COC(=O)[C@@](C)(NCc1ncc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000599651823 566281939 /nfs/dbraw/zinc/28/19/39/566281939.db2.gz KNWYQLYRDSWTDU-INIZCTEOSA-N 0 0 384.219 3.475 10 5 GGBERN COC(=O)[C@](C)(NCc1ncc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000599651830 566282419 /nfs/dbraw/zinc/28/24/19/566282419.db2.gz KNWYQLYRDSWTDU-MRXNPFEDSA-N 0 0 384.219 3.475 10 5 GGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599702813 566288238 /nfs/dbraw/zinc/28/82/38/566288238.db2.gz UAURNOYSVNVFAX-FZMZJTMJSA-N 0 0 385.258 3.418 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000482184453 566290534 /nfs/dbraw/zinc/29/05/34/566290534.db2.gz SXIOZEPLORYQCC-CYBMUJFWSA-N 0 0 397.204 3.111 10 5 GGBERN CO[C@@H](C)CN(C(C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462359255 566291526 /nfs/dbraw/zinc/29/15/26/566291526.db2.gz HZBDNWVBHORBIY-VIFPVBQESA-N 0 0 385.269 3.336 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc[nH]1 ZINC000509349631 566292964 /nfs/dbraw/zinc/29/29/64/566292964.db2.gz DONLUBKXZBWKCP-UHFFFAOYSA-N 0 0 399.188 3.108 10 5 GGBERN O=[N+]([O-])c1ccc(-c2noc(CS(=O)(=O)c3ccc(Cl)cc3)n2)s1 ZINC000445485672 566292991 /nfs/dbraw/zinc/29/29/91/566292991.db2.gz BSYIBGPAEJHOQL-UHFFFAOYSA-N 0 0 385.810 3.334 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000599748799 566293201 /nfs/dbraw/zinc/29/32/01/566293201.db2.gz ZWDVYTQLXPRCMI-CYBMUJFWSA-N 0 0 390.237 3.457 10 5 GGBERN Cc1c(NC(=O)N[C@]23C[C@H]2COC3(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000599785135 566295274 /nfs/dbraw/zinc/29/52/74/566295274.db2.gz JPGOJEIXSYISSO-BJOHPYRUSA-N 0 0 384.230 3.355 10 5 GGBERN Cc1c(NC(=O)N2CCO[C@@H](CCF)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599785523 566295330 /nfs/dbraw/zinc/29/53/30/566295330.db2.gz WELOJHHJKXZVJX-NSHDSACASA-N 0 0 390.209 3.258 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599784974 566295406 /nfs/dbraw/zinc/29/54/06/566295406.db2.gz HMFOJGPGTZMWQO-SMDDNHRTSA-N 0 0 384.230 3.355 10 5 GGBERN O=C(NCC1(CO)CC2(CCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599847110 566299361 /nfs/dbraw/zinc/29/93/61/566299361.db2.gz KUTFVWIXCNUDHK-UHFFFAOYSA-N 0 0 383.242 3.030 10 5 GGBERN Cc1cc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])no1 ZINC000462438850 566302684 /nfs/dbraw/zinc/30/26/84/566302684.db2.gz XVTDYAFSNRLOLZ-UHFFFAOYSA-N 0 0 380.209 3.019 10 5 GGBERN CS(=O)(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000556468640 566304765 /nfs/dbraw/zinc/30/47/65/566304765.db2.gz JNLFBNVYKJTQCC-UHFFFAOYSA-N 0 0 399.222 3.013 10 5 GGBERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000445740125 566308321 /nfs/dbraw/zinc/30/83/21/566308321.db2.gz DCWGUJYDLNPMNT-VGMNWLOBSA-N 0 0 383.253 3.088 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCO[C@H](CC(F)(F)F)C1 ZINC000600115494 566315922 /nfs/dbraw/zinc/31/59/22/566315922.db2.gz RWULOFRFDQWXGG-MRVPVSSYSA-N 0 0 397.147 3.151 10 5 GGBERN COC1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000445924312 566319314 /nfs/dbraw/zinc/31/93/14/566319314.db2.gz GEADSFBTSZLIAO-UHFFFAOYSA-N 0 0 385.258 3.221 10 5 GGBERN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1cc(F)cc(F)c1 ZINC000509625852 566320892 /nfs/dbraw/zinc/32/08/92/566320892.db2.gz MVJIWVCOIXZWFA-UHFFFAOYSA-N 0 0 392.405 3.070 10 5 GGBERN Cc1nn(C)c(C(=O)NCC/C=C\c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000600178334 566321385 /nfs/dbraw/zinc/32/13/85/566321385.db2.gz OQPFYSDRMLFPJQ-HYXAFXHYSA-N 0 0 393.241 3.233 10 5 GGBERN O=[N+]([O-])c1cccnc1N1CCN(Cc2ccsc2Br)CC1 ZINC000600172851 566321821 /nfs/dbraw/zinc/32/18/21/566321821.db2.gz PHNBVXNQLKDLSD-UHFFFAOYSA-N 0 0 383.271 3.136 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1NCc1noc(C2CC2)n1 ZINC000535719067 566321955 /nfs/dbraw/zinc/32/19/55/566321955.db2.gz LNUJPAUHPWGHEU-UHFFFAOYSA-N 0 0 386.149 3.072 10 5 GGBERN Cc1cccc(CCCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000509636120 566323077 /nfs/dbraw/zinc/32/30/77/566323077.db2.gz GABNQMZPXOQCMH-UHFFFAOYSA-N 0 0 383.857 3.171 10 5 GGBERN Cc1noc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1C ZINC000556719726 566326114 /nfs/dbraw/zinc/32/61/14/566326114.db2.gz SWARYBJQDHKZPJ-UHFFFAOYSA-N 0 0 387.133 3.057 10 5 GGBERN COC(=O)[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000446093298 566328803 /nfs/dbraw/zinc/32/88/03/566328803.db2.gz XIXZAEKMMAYITM-LLVKDONJSA-N 0 0 399.222 3.063 10 5 GGBERN Cc1nn(C)c(C(=O)N2CC3(CC3)c3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000600281357 566331212 /nfs/dbraw/zinc/33/12/12/566331212.db2.gz DKXQPFDFNQFDKN-UHFFFAOYSA-N 0 0 391.225 3.091 10 5 GGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000600282552 566331217 /nfs/dbraw/zinc/33/12/17/566331217.db2.gz POCDCAUAEHMJSY-UHFFFAOYSA-N 0 0 376.210 3.388 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)Sc1ccccc1 ZINC000462607624 566331584 /nfs/dbraw/zinc/33/15/84/566331584.db2.gz QURXERUZLFVYKU-LBPRGKRZSA-N 0 0 382.463 3.063 10 5 GGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1Br ZINC000446144691 566332539 /nfs/dbraw/zinc/33/25/39/566332539.db2.gz ISPSAXJVRBXVBS-UHFFFAOYSA-N 0 0 394.225 3.211 10 5 GGBERN CC1(C)CC(=O)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600306090 566332811 /nfs/dbraw/zinc/33/28/11/566332811.db2.gz YIJJLJQCRSLESS-UHFFFAOYSA-N 0 0 383.242 3.118 10 5 GGBERN COc1ncc(Br)cc1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600339359 566334332 /nfs/dbraw/zinc/33/43/32/566334332.db2.gz CVJBZSBOFSLEMZ-SNVBAGLBSA-N 0 0 394.225 3.181 10 5 GGBERN O=C(N[C@H]1CCCSc2ccc(Br)cc21)c1c[nH]nc1[N+](=O)[O-] ZINC000600367909 566335364 /nfs/dbraw/zinc/33/53/64/566335364.db2.gz FUKVSOGCJNPQJJ-NSHDSACASA-N 0 0 397.254 3.437 10 5 GGBERN Cc1ccc([C@H](C)NC(=O)c2cc[nH]c(=O)c2Br)cc1[N+](=O)[O-] ZINC000446248528 566338821 /nfs/dbraw/zinc/33/88/21/566338821.db2.gz OFMNXNGWNMBUAJ-VIFPVBQESA-N 0 0 380.198 3.257 10 5 GGBERN CC[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000446298764 566340991 /nfs/dbraw/zinc/34/09/91/566340991.db2.gz CTDQVBVLOTWUFH-LBPRGKRZSA-N 0 0 375.803 3.358 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(Br)cccn12 ZINC000556897198 566341206 /nfs/dbraw/zinc/34/12/06/566341206.db2.gz KKEIMKUVYJMGAX-UHFFFAOYSA-N 0 0 391.181 3.266 10 5 GGBERN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600507320 566342153 /nfs/dbraw/zinc/34/21/53/566342153.db2.gz CPWSCDUDRIFAKV-CYBMUJFWSA-N 0 0 393.241 3.377 10 5 GGBERN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000600510388 566342488 /nfs/dbraw/zinc/34/24/88/566342488.db2.gz WOJDZNRLPDQFSK-OAHLLOKOSA-N 0 0 393.241 3.226 10 5 GGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000600511594 566343004 /nfs/dbraw/zinc/34/30/04/566343004.db2.gz NBTFMMGQSHCXSI-CWSCBRNRSA-N 0 0 378.372 3.254 10 5 GGBERN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000600508161 566343375 /nfs/dbraw/zinc/34/33/75/566343375.db2.gz IVPAAZYYLUQWFB-CYBMUJFWSA-N 0 0 393.241 3.377 10 5 GGBERN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000600510385 566343412 /nfs/dbraw/zinc/34/34/12/566343412.db2.gz WOJDZNRLPDQFSK-HNNXBMFYSA-N 0 0 393.241 3.226 10 5 GGBERN Cc1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])nc3)C2=O)ccc1Br ZINC000462698710 566343389 /nfs/dbraw/zinc/34/33/89/566343389.db2.gz KJGVHZIPTJHVSO-CQSZACIVSA-N 0 0 391.225 3.278 10 5 GGBERN COC(=O)[C@@](C)(NC(=O)c1scc(C)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000600534720 566344242 /nfs/dbraw/zinc/34/42/42/566344242.db2.gz GWCXFYVFFOTKML-INIZCTEOSA-N 0 0 382.825 3.436 10 5 GGBERN CCCN(CC(F)(F)F)C(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000600530450 566344434 /nfs/dbraw/zinc/34/44/34/566344434.db2.gz BGECZKWKKVHQHJ-UHFFFAOYSA-N 0 0 378.738 3.399 10 5 GGBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(Br)cc1 ZINC000536007974 566344792 /nfs/dbraw/zinc/34/47/92/566344792.db2.gz UUHCFACDJODVDG-UHFFFAOYSA-N 0 0 390.237 3.354 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](O)CC12CCC2 ZINC000421113355 566345557 /nfs/dbraw/zinc/34/55/57/566345557.db2.gz SCTLILKQGGIRHF-CYBMUJFWSA-N 0 0 384.230 3.269 10 5 GGBERN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600593590 566348782 /nfs/dbraw/zinc/34/87/82/566348782.db2.gz YGBVRCZIINRKGR-MWLCHTKSSA-N 0 0 379.214 3.099 10 5 GGBERN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600589091 566348800 /nfs/dbraw/zinc/34/88/00/566348800.db2.gz FNZZXOZRFOKWLE-GXSJLCMTSA-N 0 0 379.214 3.099 10 5 GGBERN Cn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C2CC2)n1 ZINC000462742858 566349250 /nfs/dbraw/zinc/34/92/50/566349250.db2.gz QCDHQEBEFFBRNO-UHFFFAOYSA-N 0 0 379.214 3.149 10 5 GGBERN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600590345 566349663 /nfs/dbraw/zinc/34/96/63/566349663.db2.gz JXYGEMIJBCTMKG-CMPLNLGQSA-N 0 0 393.241 3.109 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1ccsc1 ZINC000556991748 566352988 /nfs/dbraw/zinc/35/29/88/566352988.db2.gz TVEWDQXJMXHEPD-CYBMUJFWSA-N 0 0 385.239 3.191 10 5 GGBERN C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)c1ccnn1C ZINC000421248042 566359232 /nfs/dbraw/zinc/35/92/32/566359232.db2.gz HFJMDTYYKHCTGD-VIFPVBQESA-N 0 0 392.213 3.216 10 5 GGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000600702528 566359340 /nfs/dbraw/zinc/35/93/40/566359340.db2.gz RUBXFYOSOGQPTF-UHFFFAOYSA-N 0 0 382.189 3.033 10 5 GGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)c1ccc(Br)cc1 ZINC000510038321 566359481 /nfs/dbraw/zinc/35/94/81/566359481.db2.gz CAUDFTULBAEOHQ-UHFFFAOYSA-N 0 0 377.194 3.199 10 5 GGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccccc2Br)C1 ZINC000600703951 566359553 /nfs/dbraw/zinc/35/95/53/566359553.db2.gz UZGYBWOJGIHHFX-UHFFFAOYSA-N 0 0 378.226 3.011 10 5 GGBERN CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000557157882 566369137 /nfs/dbraw/zinc/36/91/37/566369137.db2.gz VHOMTRHIXXJGFI-AWEZNQCLSA-N 0 0 398.257 3.333 10 5 GGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000536516620 566379918 /nfs/dbraw/zinc/37/99/18/566379918.db2.gz ILLQXYXKWWJGEQ-LLVKDONJSA-N 0 0 385.239 3.191 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000421517597 566381436 /nfs/dbraw/zinc/38/14/36/566381436.db2.gz USAAQCJCUQPFPD-UHFFFAOYSA-N 0 0 394.225 3.408 10 5 GGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000576827320 566381593 /nfs/dbraw/zinc/38/15/93/566381593.db2.gz YXYZAXHWPGGYQO-KRWDZBQOSA-N 0 0 382.507 3.443 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000510448521 566382495 /nfs/dbraw/zinc/38/24/95/566382495.db2.gz UVXADCRBHSCKNU-CQSZACIVSA-N 0 0 384.845 3.196 10 5 GGBERN O=C(NCCC1=CCCC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000536563070 566384932 /nfs/dbraw/zinc/38/49/32/566384932.db2.gz OCBFSQCRPIDTNA-UHFFFAOYSA-N 0 0 386.189 3.430 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000421573266 566385527 /nfs/dbraw/zinc/38/55/27/566385527.db2.gz IBFMIZFUMYCSFE-JTQLQIEISA-N 0 0 379.214 3.255 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(C(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000510501489 566387536 /nfs/dbraw/zinc/38/75/36/566387536.db2.gz KLBFOKPDLQVBAN-UHFFFAOYSA-N 0 0 392.277 3.234 10 5 GGBERN C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H](c2ccsc2)O1 ZINC000601129615 566391846 /nfs/dbraw/zinc/39/18/46/566391846.db2.gz KXMGMBZXRNZFSF-WPRPVWTQSA-N 0 0 376.360 3.375 10 5 GGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000601131028 566391907 /nfs/dbraw/zinc/39/19/07/566391907.db2.gz DTKMAUMSDVKCKI-SECBINFHSA-N 0 0 380.392 3.204 10 5 GGBERN CC(C)[C@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000447163440 566392382 /nfs/dbraw/zinc/39/23/82/566392382.db2.gz RXTRZDDUJUILDH-JTQLQIEISA-N 0 0 377.260 3.024 10 5 GGBERN COc1c(Br)cccc1CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149352 566393223 /nfs/dbraw/zinc/39/32/23/566393223.db2.gz LWLUKKFPKUYUHV-QGZVFWFLSA-N 0 0 395.253 3.363 10 5 GGBERN Cc1cnc(C2CCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)CC2)s1 ZINC000601154605 566393949 /nfs/dbraw/zinc/39/39/49/566393949.db2.gz PXEWOIMOJLRYJE-UHFFFAOYSA-N 0 0 375.376 3.496 10 5 GGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cc(Br)ccn1 ZINC000601168206 566393978 /nfs/dbraw/zinc/39/39/78/566393978.db2.gz RRFVSPQLDUKJSV-UHFFFAOYSA-N 0 0 380.124 3.117 10 5 GGBERN COc1c(Br)cccc1CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149351 566394141 /nfs/dbraw/zinc/39/41/41/566394141.db2.gz LWLUKKFPKUYUHV-KRWDZBQOSA-N 0 0 395.253 3.363 10 5 GGBERN O=[N+]([O-])c1cnc(N2CC3(CCOCC3)c3ccc(Br)cc32)nc1 ZINC000601212056 566396909 /nfs/dbraw/zinc/39/69/09/566396909.db2.gz RBYDFVODSRRVHO-UHFFFAOYSA-N 0 0 391.225 3.347 10 5 GGBERN Cc1cc(CCNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])on1 ZINC000576999046 566397019 /nfs/dbraw/zinc/39/70/19/566397019.db2.gz PWJHKJPMJZEWTH-UHFFFAOYSA-N 0 0 377.198 3.278 10 5 GGBERN Cc1cc(S(=O)(=O)N(C)Cc2ccc(Br)o2)c([N+](=O)[O-])s1 ZINC000601304636 566399984 /nfs/dbraw/zinc/39/99/84/566399984.db2.gz OHNKWDMQSXJMNC-UHFFFAOYSA-N 0 0 395.256 3.141 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000601338602 566400360 /nfs/dbraw/zinc/40/03/60/566400360.db2.gz ZLCLZVVMGRLJTD-CQSZACIVSA-N 0 0 382.463 3.117 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC(=O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])s1 ZINC000601418719 566404384 /nfs/dbraw/zinc/40/43/84/566404384.db2.gz ZSKDSDCFIABFPF-CQSZACIVSA-N 0 0 380.447 3.060 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000601393244 566404427 /nfs/dbraw/zinc/40/44/27/566404427.db2.gz DNMORMKQBPCSKX-KBPBESRZSA-N 0 0 382.463 3.163 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCC(=O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000601418697 566404845 /nfs/dbraw/zinc/40/48/45/566404845.db2.gz ZIVHAXUUDJFOEC-HNNXBMFYSA-N 0 0 380.447 3.060 10 5 GGBERN Cc1noc(C)c1C(C)(C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000510694656 566405372 /nfs/dbraw/zinc/40/53/72/566405372.db2.gz YZRMJODTVKCJBR-UHFFFAOYSA-N 0 0 387.845 3.375 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000557659848 566406381 /nfs/dbraw/zinc/40/63/81/566406381.db2.gz OUYJULCWZPHRIR-GJZGRUSLSA-N 0 0 397.250 3.192 10 5 GGBERN O=C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C2CC2)C1 ZINC000601443118 566406402 /nfs/dbraw/zinc/40/64/02/566406402.db2.gz OKVRGMMZJLUMRU-GFCCVEGCSA-N 0 0 393.248 3.034 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])s1 ZINC000601431913 566406789 /nfs/dbraw/zinc/40/67/89/566406789.db2.gz SXYNKVJOIAWLSU-GHMZBOCLSA-N 0 0 388.492 3.225 10 5 GGBERN Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c([N+](=O)[O-])s1 ZINC000601471018 566408335 /nfs/dbraw/zinc/40/83/35/566408335.db2.gz RRFALHDMTSQDOI-AWEZNQCLSA-N 0 0 379.463 3.276 10 5 GGBERN Cc1ccnc([C@@H]2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)c1 ZINC000601460424 566408431 /nfs/dbraw/zinc/40/84/31/566408431.db2.gz UUOPHJUOJYLFKL-GFCCVEGCSA-N 0 0 381.841 3.130 10 5 GGBERN Cc1ccc(S(=O)(=O)N2CCC(Cc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000601496682 566409495 /nfs/dbraw/zinc/40/94/95/566409495.db2.gz IPNNKTNRUGXRQW-UHFFFAOYSA-N 0 0 381.479 3.003 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC000601517343 566409803 /nfs/dbraw/zinc/40/98/03/566409803.db2.gz PUUYORWKBCWHPP-CYBMUJFWSA-N 0 0 381.841 3.212 10 5 GGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(Cc2nccs2)CC1 ZINC000601496312 566409828 /nfs/dbraw/zinc/40/98/28/566409828.db2.gz BJPJUUSSDSUQCP-UHFFFAOYSA-N 0 0 381.479 3.003 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3cccnc3)C2)c(Cl)c1 ZINC000601517345 566409903 /nfs/dbraw/zinc/40/99/03/566409903.db2.gz PUUYORWKBCWHPP-ZDUSSCGKSA-N 0 0 381.841 3.212 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)n1 ZINC000577202488 566414331 /nfs/dbraw/zinc/41/43/31/566414331.db2.gz ATSYHGKCDQOKGP-AWEZNQCLSA-N 0 0 393.241 3.144 10 5 GGBERN Cc1c(Br)ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1F ZINC000447549026 566415740 /nfs/dbraw/zinc/41/57/40/566415740.db2.gz JZJMCKLVMKUWNE-UHFFFAOYSA-N 0 0 394.200 3.398 10 5 GGBERN O=C(NCC1(CO)CC2(CCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000447625964 566418808 /nfs/dbraw/zinc/41/88/08/566418808.db2.gz FHJCSNMHCZHFCP-UHFFFAOYSA-N 0 0 383.242 3.030 10 5 GGBERN Cc1c(Br)cc(C(=O)NCC2(CO)CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000447630523 566419440 /nfs/dbraw/zinc/41/94/40/566419440.db2.gz QMNWSSPSRRLXHG-UHFFFAOYSA-N 0 0 397.269 3.338 10 5 GGBERN COc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Br ZINC000447667511 566420602 /nfs/dbraw/zinc/42/06/02/566420602.db2.gz DYRYVQPFFYLGHK-UHFFFAOYSA-N 0 0 377.198 3.276 10 5 GGBERN COc1ccc(Br)cc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447688431 566423248 /nfs/dbraw/zinc/42/32/48/566423248.db2.gz GVJVSKWAKIJORT-UHFFFAOYSA-N 0 0 377.198 3.276 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000601767912 566423401 /nfs/dbraw/zinc/42/34/01/566423401.db2.gz NCGIFOZWMASIDW-ARFHVFGLSA-N 0 0 388.221 3.129 10 5 GGBERN C[C@@](CO)(NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000601779313 566423850 /nfs/dbraw/zinc/42/38/50/566423850.db2.gz PJAXARPXJVPJSK-XNJGSVPQSA-N 0 0 380.853 3.437 10 5 GGBERN C[C@@](CO)(NC(=O)[C@H]1SCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000601782649 566424749 /nfs/dbraw/zinc/42/47/49/566424749.db2.gz YZYGXSPHRIMEOJ-RDJZCZTQSA-N 0 0 378.475 3.011 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](C(F)F)CC1 ZINC000601800254 566426073 /nfs/dbraw/zinc/42/60/73/566426073.db2.gz LIEWLODBNODHOQ-NSHDSACASA-N 0 0 380.800 3.223 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000601821101 566426088 /nfs/dbraw/zinc/42/60/88/566426088.db2.gz MAQXNZRPUSQXJI-GFCCVEGCSA-N 0 0 393.184 3.162 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000511024582 566430081 /nfs/dbraw/zinc/43/00/81/566430081.db2.gz BWBUQMZQJYMPSU-QMMMGPOBSA-N 0 0 391.783 3.269 10 5 GGBERN Cc1ncc([N+](=O)[O-])n1CC[S@](=O)c1ccc(Br)c(Cl)c1 ZINC000601911056 566431536 /nfs/dbraw/zinc/43/15/36/566431536.db2.gz JNMMSZFGHMKDNT-NRFANRHFSA-N 0 0 392.662 3.323 10 5 GGBERN Cc1cc(S(=O)(=O)N(CC(F)(F)F)c2ccncc2)c([N+](=O)[O-])s1 ZINC000601964015 566434200 /nfs/dbraw/zinc/43/42/00/566434200.db2.gz WMRUNPMBLGXGKN-UHFFFAOYSA-N 0 0 381.357 3.117 10 5 GGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc(OC)c1Br ZINC000537260420 566435915 /nfs/dbraw/zinc/43/59/15/566435915.db2.gz YTXWMFUXIQMYDW-UHFFFAOYSA-N 0 0 382.170 3.022 10 5 GGBERN COc1ccc2c(c1)CCC[C@H]2CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000463864981 566438721 /nfs/dbraw/zinc/43/87/21/566438721.db2.gz GXKIZNSQOVZYQQ-LBPRGKRZSA-N 0 0 382.463 3.063 10 5 GGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCc2c(F)cc(Br)cc21 ZINC000537477533 566448460 /nfs/dbraw/zinc/44/84/60/566448460.db2.gz OPAQHPXMDZMRCK-UHFFFAOYSA-N 0 0 382.189 3.428 10 5 GGBERN Cc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000577595279 566449132 /nfs/dbraw/zinc/44/91/32/566449132.db2.gz MUNKJXZSGFPESD-UHFFFAOYSA-N 0 0 378.182 3.243 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000537546480 566450996 /nfs/dbraw/zinc/45/09/96/566450996.db2.gz ORMHNWKYLOZBRY-UHFFFAOYSA-N 0 0 380.198 3.100 10 5 GGBERN O=C(CCc1ccccc1Br)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000537577566 566453448 /nfs/dbraw/zinc/45/34/48/566453448.db2.gz UAAZDUFEIPSFEC-UHFFFAOYSA-N 0 0 390.237 3.270 10 5 GGBERN CCOc1ccc(C(=O)Nc2nnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000484980004 566466747 /nfs/dbraw/zinc/46/67/47/566466747.db2.gz WPASJNKHXCRPKA-UHFFFAOYSA-N 0 0 376.316 3.202 10 5 GGBERN Cc1ccsc1[C@@H](CO)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537779943 566468909 /nfs/dbraw/zinc/46/89/09/566468909.db2.gz OGPZOFGBNAOCNM-GFCCVEGCSA-N 0 0 384.841 3.237 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000511547908 566469730 /nfs/dbraw/zinc/46/97/30/566469730.db2.gz WCRVOTVZKRVJCR-KRWDZBQOSA-N 0 0 395.253 3.363 10 5 GGBERN CCOC(=O)CC1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000448511453 566475171 /nfs/dbraw/zinc/47/51/71/566475171.db2.gz HFCOTRTUHIYWTB-UHFFFAOYSA-N 0 0 399.241 3.353 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)n1 ZINC000537923965 566480683 /nfs/dbraw/zinc/48/06/83/566480683.db2.gz GIGKJBGVNSFMIG-CQSZACIVSA-N 0 0 393.241 3.362 10 5 GGBERN COc1cc(CN(C)c2ncc([N+](=O)[O-])cc2Br)cc(OC)c1 ZINC000485195979 566481120 /nfs/dbraw/zinc/48/11/20/566481120.db2.gz LIOIMDWZKNBKTA-UHFFFAOYSA-N 0 0 382.214 3.406 10 5 GGBERN COC[C@@](C)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000464506021 566481672 /nfs/dbraw/zinc/48/16/72/566481672.db2.gz GQJVHHUMSUGVSL-CYBMUJFWSA-N 0 0 384.738 3.101 10 5 GGBERN O=[N+]([O-])c1sc(CNCc2nccc(C(F)F)n2)cc1Br ZINC000602661333 566485899 /nfs/dbraw/zinc/48/58/99/566485899.db2.gz DBIPHWSBZYAUKH-UHFFFAOYSA-N 0 0 379.186 3.436 10 5 GGBERN Cc1ccc(I)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000511818020 566489414 /nfs/dbraw/zinc/48/94/14/566489414.db2.gz RIJSXFLRGGNWRL-UHFFFAOYSA-N 0 0 396.184 3.438 10 5 GGBERN C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000538138024 566495341 /nfs/dbraw/zinc/49/53/41/566495341.db2.gz MWUFLBXBGMQFSH-BMIGLBTASA-N 0 0 378.226 3.235 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000464664569 566496240 /nfs/dbraw/zinc/49/62/40/566496240.db2.gz BBRDMOWKCPXOPC-JTQLQIEISA-N 0 0 394.225 3.258 10 5 GGBERN Cc1noc([C@H]2CCCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000485475101 566501602 /nfs/dbraw/zinc/50/16/02/566501602.db2.gz NDCVUWMAOGONKY-GFCCVEGCSA-N 0 0 396.201 3.418 10 5 GGBERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485478243 566502427 /nfs/dbraw/zinc/50/24/27/566502427.db2.gz TVYBACLHJNBWBN-HNNXBMFYSA-N 0 0 394.225 3.082 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000558797990 566507219 /nfs/dbraw/zinc/50/72/19/566507219.db2.gz SMBRVCDVXTUIQF-UHFFFAOYSA-N 0 0 376.316 3.400 10 5 GGBERN C[C@@]12C(=O)N(Cc3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000424101243 566512527 /nfs/dbraw/zinc/51/25/27/566512527.db2.gz MQLDEZIULPFBRT-JVHVSBKXSA-N 0 0 393.237 3.279 10 5 GGBERN O=C(c1cc(F)ccc1Br)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000538682640 566527954 /nfs/dbraw/zinc/52/79/54/566527954.db2.gz PHULRTXJIVZPGB-UHFFFAOYSA-N 0 0 380.173 3.090 10 5 GGBERN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H]1CCS(=O)(=O)C1 ZINC000538718109 566529994 /nfs/dbraw/zinc/52/99/94/566529994.db2.gz VWGHMSDQBQAAKQ-CYBMUJFWSA-N 0 0 380.491 3.190 10 5 GGBERN Cc1nc(-c2ccc(CNc3ncc([N+](=O)[O-])cc3C(N)=O)s2)cs1 ZINC000603579466 566533670 /nfs/dbraw/zinc/53/36/70/566533670.db2.gz MSDZNRFQYIUTCS-UHFFFAOYSA-N 0 0 375.435 3.194 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1OC(F)F ZINC000512538826 566541625 /nfs/dbraw/zinc/54/16/25/566541625.db2.gz LOOILGQCHOUCBZ-QMMMGPOBSA-N 0 0 378.378 3.297 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(Sc2ccc([N+](=O)[O-])c(C)c2)nc1 ZINC000603840971 566542182 /nfs/dbraw/zinc/54/21/82/566542182.db2.gz HRVDBTNHEGBMII-UHFFFAOYSA-N 0 0 381.479 3.480 10 5 GGBERN O=[N+]([O-])c1ccc(NCc2ccc(Cl)o2)c(S(=O)(=O)N2CCCC2)c1 ZINC000603872810 566543658 /nfs/dbraw/zinc/54/36/58/566543658.db2.gz QFSLVLJKRNQMQC-UHFFFAOYSA-N 0 0 385.829 3.238 10 5 GGBERN Cc1ccc(NCc2csc([N+](=O)[O-])c2)c(C)c1S(=O)(=O)NC1CC1 ZINC000512585990 566544310 /nfs/dbraw/zinc/54/43/10/566544310.db2.gz GZSRPAPDAVJOEJ-UHFFFAOYSA-N 0 0 381.479 3.326 10 5 GGBERN CC(C)n1ncc2c1C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)CC2 ZINC000578696647 566545555 /nfs/dbraw/zinc/54/55/55/566545555.db2.gz XQSFZLZZQVFXBR-LLVKDONJSA-N 0 0 380.246 3.499 10 5 GGBERN CCn1c2cc(Br)ccc2nc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000538907059 566546544 /nfs/dbraw/zinc/54/65/44/566546544.db2.gz KARUIAWJPRRWDI-UHFFFAOYSA-N 0 0 390.197 3.374 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](CO)c1ccccc1 ZINC000559546281 566555204 /nfs/dbraw/zinc/55/52/04/566555204.db2.gz BUDCKVCMRUYMML-CYBMUJFWSA-N 0 0 393.237 3.172 10 5 GGBERN CCOC(=O)CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000466303522 566564491 /nfs/dbraw/zinc/56/44/91/566564491.db2.gz VBBGEWFZKQRWOR-UHFFFAOYSA-N 0 0 386.857 3.285 10 5 GGBERN COC[C@H](Cc1ccccc1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486181484 566566466 /nfs/dbraw/zinc/56/64/66/566566466.db2.gz AIRFCDYDVHATPE-NSHDSACASA-N 0 0 399.266 3.406 10 5 GGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)c1ccc(Br)cc1 ZINC000512938574 566569407 /nfs/dbraw/zinc/56/94/07/566569407.db2.gz CUCZELRZFVFTHW-UHFFFAOYSA-N 0 0 391.221 3.241 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(Br)cc2Cl)n1 ZINC000466443286 566576480 /nfs/dbraw/zinc/57/64/80/566576480.db2.gz DKROWESVNFZFTF-UHFFFAOYSA-N 0 0 377.557 3.136 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000539385292 566578633 /nfs/dbraw/zinc/57/86/33/566578633.db2.gz RDJSQHBPBAMXLX-OAHLLOKOSA-N 0 0 382.825 3.440 10 5 GGBERN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000466529330 566582887 /nfs/dbraw/zinc/58/28/87/566582887.db2.gz KIPPBZBDTJJXFS-CYBMUJFWSA-N 0 0 382.825 3.214 10 5 GGBERN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000466529331 566583033 /nfs/dbraw/zinc/58/30/33/566583033.db2.gz KIPPBZBDTJJXFS-ZDUSSCGKSA-N 0 0 382.825 3.214 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC(=O)c2cccn21 ZINC000579149155 566584542 /nfs/dbraw/zinc/58/45/42/566584542.db2.gz PQIOIUNLTNOPFH-ZDUSSCGKSA-N 0 0 378.182 3.315 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2=CCCC2)c(Br)c1 ZINC000513165699 566584987 /nfs/dbraw/zinc/58/49/87/566584987.db2.gz NFFFBOOIZZKYOD-UHFFFAOYSA-N 0 0 375.244 3.136 10 5 GGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1nc(C(F)(F)F)cs1 ZINC000486424103 566587772 /nfs/dbraw/zinc/58/77/72/566587772.db2.gz IUTXAVODXMGRGU-UHFFFAOYSA-N 0 0 381.282 3.207 10 5 GGBERN C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000486436050 566588884 /nfs/dbraw/zinc/58/88/84/566588884.db2.gz PXHRWILCYRJNGV-SNVBAGLBSA-N 0 0 393.241 3.302 10 5 GGBERN C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000486446926 566590569 /nfs/dbraw/zinc/59/05/69/566590569.db2.gz NDONTIISPSBECE-ZETCQYMHSA-N 0 0 385.605 3.292 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CSc4ccc(Br)cc43)nn21 ZINC000486465652 566591826 /nfs/dbraw/zinc/59/18/26/566591826.db2.gz IYSSWOBIRNMCPT-JTQLQIEISA-N 0 0 392.238 3.081 10 5 GGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000486487368 566593185 /nfs/dbraw/zinc/59/31/85/566593185.db2.gz JXRNCIUEPBVDKE-VIFPVBQESA-N 0 0 395.213 3.037 10 5 GGBERN CCN(Cc1ccccc1Br)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000466753455 566597752 /nfs/dbraw/zinc/59/77/52/566597752.db2.gz LQHAJKDFCDLKST-UHFFFAOYSA-N 0 0 381.230 3.236 10 5 GGBERN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ncc(Br)cn1 ZINC000486546514 566597967 /nfs/dbraw/zinc/59/79/67/566597967.db2.gz GKPMCNNEYHIVDI-MRVPVSSYSA-N 0 0 391.181 3.385 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(Br)cc2C1 ZINC000560125021 566599559 /nfs/dbraw/zinc/59/95/59/566599559.db2.gz LUZSFNLUUTVAJW-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN C[S@@](=O)Cc1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000560127412 566601377 /nfs/dbraw/zinc/60/13/77/566601377.db2.gz AQBZCFOFCDUQOR-HSZRJFAPSA-N 0 0 397.250 3.488 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1 ZINC000560141598 566602594 /nfs/dbraw/zinc/60/25/94/566602594.db2.gz GZJBYZYHJLNHGB-AWEZNQCLSA-N 0 0 379.166 3.136 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCSCC(F)(F)F)cc1[N+](=O)[O-] ZINC000539861144 566608422 /nfs/dbraw/zinc/60/84/22/566608422.db2.gz YQPMIVUMWAFVJB-UHFFFAOYSA-N 0 0 392.808 3.130 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc(Cl)ccc2OC(F)F)s1 ZINC000466924961 566608943 /nfs/dbraw/zinc/60/89/43/566608943.db2.gz LZQWCHUHCVEMRV-UHFFFAOYSA-N 0 0 398.796 3.390 10 5 GGBERN C[C@@H](C(=O)N[C@@H](C)c1ncc(Br)cn1)c1ccc([N+](=O)[O-])cc1F ZINC000486681876 566612651 /nfs/dbraw/zinc/61/26/51/566612651.db2.gz GHGHBEMMSBPANP-BDAKNGLRSA-N 0 0 397.204 3.267 10 5 GGBERN O=C(NCc1cc(F)cc(Br)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000486760411 566620433 /nfs/dbraw/zinc/62/04/33/566620433.db2.gz QMVSNSYWJFEGQV-UHFFFAOYSA-N 0 0 397.156 3.155 10 5 GGBERN CCn1nc(C)c(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000513741251 566620996 /nfs/dbraw/zinc/62/09/96/566620996.db2.gz JGFPXVFREIZOPF-UHFFFAOYSA-N 0 0 381.230 3.372 10 5 GGBERN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000486756268 566621121 /nfs/dbraw/zinc/62/11/21/566621121.db2.gz BXOPAOYQKNJNIH-SNVBAGLBSA-N 0 0 393.241 3.302 10 5 GGBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1c(F)cccc1Br ZINC000540051081 566625258 /nfs/dbraw/zinc/62/52/58/566625258.db2.gz CYYCVDQSVPMEQG-UHFFFAOYSA-N 0 0 378.157 3.255 10 5 GGBERN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000486816908 566625280 /nfs/dbraw/zinc/62/52/80/566625280.db2.gz COTYVSHPDDPBCL-QMMMGPOBSA-N 0 0 395.384 3.251 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc(C(F)(F)F)cs1 ZINC000486857861 566629712 /nfs/dbraw/zinc/62/97/12/566629712.db2.gz KUXVWVTXCVCTJH-YFKPBYRVSA-N 0 0 387.386 3.171 10 5 GGBERN Cc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000513849810 566630667 /nfs/dbraw/zinc/63/06/67/566630667.db2.gz GYRNAQHGKQKUDD-UHFFFAOYSA-N 0 0 384.841 3.052 10 5 GGBERN Cc1sc(S(=O)(=O)NCCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000467395842 566643186 /nfs/dbraw/zinc/64/31/86/566643186.db2.gz JLARBPTVQXCWMD-UHFFFAOYSA-N 0 0 377.447 3.034 10 5 GGBERN COc1ncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1Br ZINC000425431708 566644039 /nfs/dbraw/zinc/64/40/39/566644039.db2.gz GAJDLHMZBYIWIF-VIFPVBQESA-N 0 0 392.209 3.352 10 5 GGBERN Cc1sc(S(=O)(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000467412083 566645454 /nfs/dbraw/zinc/64/54/54/566645454.db2.gz GRJOUTRXBNGUTN-IAQYHMDHSA-N 0 0 382.463 3.115 10 5 GGBERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448230 566645439 /nfs/dbraw/zinc/64/54/39/566645439.db2.gz RBEIPZUHSOEJHU-ZBINZKHDSA-N 0 0 383.242 3.131 10 5 GGBERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448229 566645959 /nfs/dbraw/zinc/64/59/59/566645959.db2.gz RBEIPZUHSOEJHU-YVLXSGLVSA-N 0 0 383.242 3.131 10 5 GGBERN C[C@H](NC(=O)c1cc(Br)cnc1N(C)C)c1ccccc1[N+](=O)[O-] ZINC000540451452 566651751 /nfs/dbraw/zinc/65/17/51/566651751.db2.gz KVRJFYIYXRNWEW-JTQLQIEISA-N 0 0 393.241 3.309 10 5 GGBERN Cc1cc(Br)cc2c1CN(C(=O)c1cccc([N+](=O)[O-])c1N)CC2 ZINC000540472152 566653150 /nfs/dbraw/zinc/65/31/50/566653150.db2.gz UFQDMTWCXYZEKC-UHFFFAOYSA-N 0 0 390.237 3.446 10 5 GGBERN CCc1cnc(CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000487216861 566656844 /nfs/dbraw/zinc/65/68/44/566656844.db2.gz GCHYBZUFIFGCFT-UHFFFAOYSA-N 0 0 382.873 3.352 10 5 GGBERN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000514615841 566657423 /nfs/dbraw/zinc/65/74/23/566657423.db2.gz KMUYCGHZGQMROD-UHFFFAOYSA-N 0 0 394.293 3.480 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000540739769 566670240 /nfs/dbraw/zinc/67/02/40/566670240.db2.gz OFVSEPJJQCCEJY-CHWSQXEVSA-N 0 0 390.889 3.429 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(Br)cccn12 ZINC000580238414 566676848 /nfs/dbraw/zinc/67/68/48/566676848.db2.gz GVJGIPQSCGBQCZ-UHFFFAOYSA-N 0 0 375.182 3.186 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000514996344 566684060 /nfs/dbraw/zinc/68/40/60/566684060.db2.gz PRQQMWPQBVQSKV-HUUCEWRRSA-N 0 0 382.507 3.200 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000514996345 566684197 /nfs/dbraw/zinc/68/41/97/566684197.db2.gz PRQQMWPQBVQSKV-LSDHHAIUSA-N 0 0 382.507 3.200 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000514996142 566685107 /nfs/dbraw/zinc/68/51/07/566685107.db2.gz PRQQMWPQBVQSKV-CABCVRRESA-N 0 0 382.507 3.200 10 5 GGBERN CC(F)(F)CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000450564969 566685745 /nfs/dbraw/zinc/68/57/45/566685745.db2.gz VPKNRDOGIIXIQL-UHFFFAOYSA-N 0 0 377.413 3.227 10 5 GGBERN Cc1cc(N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(Br)cc1[N+](=O)[O-] ZINC000450644761 566692660 /nfs/dbraw/zinc/69/26/60/566692660.db2.gz DRXVGEIAEMMMQM-LALPHHSUSA-N 0 0 385.258 3.032 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000450650943 566695024 /nfs/dbraw/zinc/69/50/24/566695024.db2.gz DEXSZVRNVHPBCR-LRDDRELGSA-N 0 0 396.216 3.057 10 5 GGBERN Cc1cc(N[C@H](CO)C[C@H](O)C(C)(C)C)c(Br)cc1[N+](=O)[O-] ZINC000561322947 566695959 /nfs/dbraw/zinc/69/59/59/566695959.db2.gz DDOLINLYAVXGAS-HZMBPMFUSA-N 0 0 375.263 3.236 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@](O)(C(F)F)C1 ZINC000450703499 566698651 /nfs/dbraw/zinc/69/86/51/566698651.db2.gz KINRTYFQVKLDMM-CQSZACIVSA-N 0 0 388.168 3.112 10 5 GGBERN Cc1c(NC(=O)N[C@H](CO)C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000515256613 566701116 /nfs/dbraw/zinc/70/11/16/566701116.db2.gz CEBALOZZYGFPJF-CYBMUJFWSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1c(NC(=O)N[C@@H](CO)C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000515256614 566701252 /nfs/dbraw/zinc/70/12/52/566701252.db2.gz CEBALOZZYGFPJF-ZDUSSCGKSA-N 0 0 386.246 3.338 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1NCC1(CF)CCOCC1 ZINC000450733965 566701753 /nfs/dbraw/zinc/70/17/53/566701753.db2.gz SXIVQIJCXPBQMB-UHFFFAOYSA-N 0 0 394.184 3.378 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@H](c4cccc(Br)c4)C3)nn21 ZINC000450752631 566702847 /nfs/dbraw/zinc/70/28/47/566702847.db2.gz GCVWLCBTMZHJOX-LBPRGKRZSA-N 0 0 388.225 3.394 10 5 GGBERN O=C(CSc1ccccc1[N+](=O)[O-])N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000541296947 566711652 /nfs/dbraw/zinc/71/16/52/566711652.db2.gz TZXCLTWPVMDOJN-ZIAGYGMSSA-N 0 0 382.507 3.200 10 5 GGBERN COC(=O)c1cncc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000541295404 566712183 /nfs/dbraw/zinc/71/21/83/566712183.db2.gz KWCZPSPMWHKPQG-UHFFFAOYSA-N 0 0 381.797 3.161 10 5 GGBERN O=C(CSc1ccccc1[N+](=O)[O-])N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000541296946 566712425 /nfs/dbraw/zinc/71/24/25/566712425.db2.gz TZXCLTWPVMDOJN-UONOGXRCSA-N 0 0 382.507 3.200 10 5 GGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC000450886317 566715192 /nfs/dbraw/zinc/71/51/92/566715192.db2.gz FMRWXLYHHPOFMT-NSHDSACASA-N 0 0 384.205 3.155 10 5 GGBERN C[C@@H]1CN(CC(F)(F)F)CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000450877519 566716075 /nfs/dbraw/zinc/71/60/75/566716075.db2.gz UBBYBYYMWJUBGE-SECBINFHSA-N 0 0 397.195 3.073 10 5 GGBERN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000468705228 566720916 /nfs/dbraw/zinc/72/09/16/566720916.db2.gz IFJQAEBCWCNNJN-JTQLQIEISA-N 0 0 378.226 3.301 10 5 GGBERN Cn1cc([N+](=O)[O-])c(-c2nc(C3(c4ccccc4Br)CC3)no2)n1 ZINC000580800514 566724545 /nfs/dbraw/zinc/72/45/45/566724545.db2.gz IYNXHHDTNZLJRL-UHFFFAOYSA-N 0 0 390.197 3.221 10 5 GGBERN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000580857812 566728812 /nfs/dbraw/zinc/72/88/12/566728812.db2.gz CTUDMUFWQXTUOD-UHFFFAOYSA-N 0 0 375.690 3.067 10 5 GGBERN CC(C)(NC(=O)c1cc[nH]c(=O)c1Br)c1ccccc1[N+](=O)[O-] ZINC000561706412 566731417 /nfs/dbraw/zinc/73/14/17/566731417.db2.gz HPZZPHBCCZBZQI-UHFFFAOYSA-N 0 0 380.198 3.123 10 5 GGBERN CO[C@H](CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000468843716 566736230 /nfs/dbraw/zinc/73/62/30/566736230.db2.gz FBTQPWISEXUOOL-GFCCVEGCSA-N 0 0 383.754 3.057 10 5 GGBERN Cc1c(Br)c(Sc2nnnn2-c2ccccc2)ncc1[N+](=O)[O-] ZINC000541590279 566737000 /nfs/dbraw/zinc/73/70/00/566737000.db2.gz TWEUKUAFROESNS-UHFFFAOYSA-N 0 0 393.226 3.188 10 5 GGBERN C[C@@H]1N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000541644638 566741002 /nfs/dbraw/zinc/74/10/02/566741002.db2.gz PMHYPPNJQAFCLF-NSHDSACASA-N 0 0 383.242 3.389 10 5 GGBERN CNc1ccc(C(=O)NCc2cc(F)cc(Br)c2)cc1[N+](=O)[O-] ZINC000515992125 566741157 /nfs/dbraw/zinc/74/11/57/566741157.db2.gz MGTYOSIMDGVQEE-UHFFFAOYSA-N 0 0 382.189 3.468 10 5 GGBERN CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000608875877 566741253 /nfs/dbraw/zinc/74/12/53/566741253.db2.gz ZOPDOFFPEAHOKF-AWEZNQCLSA-N 0 0 384.841 3.214 10 5 GGBERN NS(=O)(=O)c1cccc(N[C@H]2CCCc3sc(Cl)cc32)c1[N+](=O)[O-] ZINC000488719475 566742245 /nfs/dbraw/zinc/74/22/45/566742245.db2.gz IPDILFXPHHRGSC-VIFPVBQESA-N 0 0 387.870 3.447 10 5 GGBERN NS(=O)(=O)c1cccc(N[C@@H]2CCCc3sc(Cl)cc32)c1[N+](=O)[O-] ZINC000488719474 566743036 /nfs/dbraw/zinc/74/30/36/566743036.db2.gz IPDILFXPHHRGSC-SECBINFHSA-N 0 0 387.870 3.447 10 5 GGBERN O=[N+]([O-])c1cnccc1NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000608972651 566745147 /nfs/dbraw/zinc/74/51/47/566745147.db2.gz FBCHRGJQVNERIW-GFCCVEGCSA-N 0 0 377.242 3.113 10 5 GGBERN O=C(c1c(F)ccc(Br)c1F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000427085398 566746631 /nfs/dbraw/zinc/74/66/31/566746631.db2.gz FAZREMYOVLOQER-UHFFFAOYSA-N 0 0 398.163 3.229 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000541771313 566746741 /nfs/dbraw/zinc/74/67/41/566746741.db2.gz KQYVSPNRRSYRSR-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN COCCN(Cc1scnc1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000488883655 566755213 /nfs/dbraw/zinc/75/52/13/566755213.db2.gz RVJGKKPKSIDVGX-UHFFFAOYSA-N 0 0 383.857 3.231 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)CCC2)n1 ZINC000562043678 566759115 /nfs/dbraw/zinc/75/91/15/566759115.db2.gz RPOORPWZFYXTMQ-UHFFFAOYSA-N 0 0 381.479 3.334 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000488965116 566759755 /nfs/dbraw/zinc/75/97/55/566759755.db2.gz BHHAEDVFWCKZSP-OLZOCXBDSA-N 0 0 397.250 3.192 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCNC(=O)c2ccc(Br)cc2)n1 ZINC000541933368 566761256 /nfs/dbraw/zinc/76/12/56/566761256.db2.gz HXYGBESFKMPEEH-UHFFFAOYSA-N 0 0 393.241 3.211 10 5 GGBERN COc1ccc(CC(=O)N[C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000516503536 566765463 /nfs/dbraw/zinc/76/54/63/566765463.db2.gz INAQSAMARRNINQ-GFCCVEGCSA-N 0 0 375.328 3.022 10 5 GGBERN COc1ccc(CC(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000516503537 566765986 /nfs/dbraw/zinc/76/59/86/566765986.db2.gz INAQSAMARRNINQ-LBPRGKRZSA-N 0 0 375.328 3.022 10 5 GGBERN CC[C@@H](Cc1ccccc1Br)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427362871 566769185 /nfs/dbraw/zinc/76/91/85/566769185.db2.gz QEKLJKDGFCJLLY-LBPRGKRZSA-N 0 0 395.257 3.325 10 5 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/nfs/dbraw/zinc/78/44/33/566784433.db2.gz TWAMTLVRVTZGOS-OUAUKWLOSA-N 0 0 390.221 3.197 10 5 GGBERN CC(C)(C(=O)Nc1cc(F)cc(Br)c1F)n1cc([N+](=O)[O-])cn1 ZINC000489383202 566784789 /nfs/dbraw/zinc/78/47/89/566784789.db2.gz FOBZCPHMNITGDJ-UHFFFAOYSA-N 0 0 389.156 3.206 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000609783927 566785171 /nfs/dbraw/zinc/78/51/71/566785171.db2.gz MIBOOYITNKNNJF-HUUCEWRRSA-N 0 0 384.885 3.304 10 5 GGBERN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H](C)[C@@H](C)O1 ZINC000581517214 566785446 /nfs/dbraw/zinc/78/54/46/566785446.db2.gz TWAMTLVRVTZGOS-GMTAPVOTSA-N 0 0 390.221 3.197 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc3cc(Cl)ccc3s2)s1 ZINC000516834659 566786475 /nfs/dbraw/zinc/78/64/75/566786475.db2.gz GLGAOHSUNKMEPG-UHFFFAOYSA-N 0 0 389.867 3.398 10 5 GGBERN COC(=O)c1cnc(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000469458594 566791694 /nfs/dbraw/zinc/79/16/94/566791694.db2.gz HNUJPHGXIDZCEG-UHFFFAOYSA-N 0 0 377.403 3.329 10 5 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COc1cc(C(=O)Nc2ccnc(C)c2Br)cc([N+](=O)[O-])c1C ZINC000564846434 567012779 /nfs/dbraw/zinc/01/27/79/567012779.db2.gz WSVZLQFFNDROEF-UHFFFAOYSA-N 0 0 380.198 3.052 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(Cn4cc(Br)cn4)no3)c2c1 ZINC000545003237 567014236 /nfs/dbraw/zinc/01/42/36/567014236.db2.gz RVJBJSICQUANPA-UHFFFAOYSA-N 0 0 389.169 3.133 10 5 GGBERN Cc1cccnc1CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000452793695 567018306 /nfs/dbraw/zinc/01/83/06/567018306.db2.gz DYPPJIVDBDLCOA-UHFFFAOYSA-N 0 0 378.226 3.342 10 5 GGBERN Cn1cc([N+](=O)[O-])c(-c2nc(CCCc3ccccc3Br)no2)n1 ZINC000545076368 567018736 /nfs/dbraw/zinc/01/87/36/567018736.db2.gz AAQIGEUXSUPQRZ-UHFFFAOYSA-N 0 0 392.213 3.316 10 5 GGBERN CC(C)[C@H]1C[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000452832003 567020467 /nfs/dbraw/zinc/02/04/67/567020467.db2.gz LWFDXYQHOBOMJH-MLGOLLRUSA-N 0 0 399.285 3.467 10 5 GGBERN C[C@@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000545129180 567021998 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Cc1n[nH]c(=O)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1C ZINC000431180686 567063786 /nfs/dbraw/zinc/06/37/86/567063786.db2.gz JPGLMZHROKFQMO-UHFFFAOYSA-N 0 0 381.186 3.030 10 5 GGBERN Cc1c(NC(=O)c2ccc3c(c2)nnn3C)cc(Br)cc1[N+](=O)[O-] ZINC000431180363 567063905 /nfs/dbraw/zinc/06/39/05/567063905.db2.gz GWGGOEJOJZGNRK-UHFFFAOYSA-N 0 0 390.197 3.200 10 5 GGBERN Cc1c(NC(=O)CCOC[C@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000431181064 567064002 /nfs/dbraw/zinc/06/40/02/567064002.db2.gz JGKVDIKPAXSZRX-GFCCVEGCSA-N 0 0 387.230 3.190 10 5 GGBERN CCC(=O)N1CCC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000431182142 567064141 /nfs/dbraw/zinc/06/41/41/567064141.db2.gz MHYIAZNGFXQTAQ-NSHDSACASA-N 0 0 398.257 3.253 10 5 GGBERN NC(=O)c1ccnc(N2CCC[C@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000565415164 567065352 /nfs/dbraw/zinc/06/53/52/567065352.db2.gz HLJACHNWLOEYFM-VIFPVBQESA-N 0 0 397.254 3.254 10 5 GGBERN NC(=O)c1ccnc(N2CCC[C@@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000565415163 567066102 /nfs/dbraw/zinc/06/61/02/567066102.db2.gz HLJACHNWLOEYFM-SECBINFHSA-N 0 0 397.254 3.254 10 5 GGBERN O=C(N[C@@H]1CC12CCCC2)c1cc(I)cc([N+](=O)[O-])c1 ZINC000584757164 567068281 /nfs/dbraw/zinc/06/82/81/567068281.db2.gz JTCJXBPXZFEGNB-GFCCVEGCSA-N 0 0 386.189 3.262 10 5 GGBERN CC(=O)c1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n(C)c1 ZINC000431260567 567069918 /nfs/dbraw/zinc/06/99/18/567069918.db2.gz WKIQKJLSXIUQJM-UHFFFAOYSA-N 0 0 380.198 3.459 10 5 GGBERN Cc1c(NC(=O)[C@H]2CCCN2C(=O)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000431253835 567070562 /nfs/dbraw/zinc/07/05/62/567070562.db2.gz DZWRDTHWKLKELB-CYBMUJFWSA-N 0 0 398.257 3.251 10 5 GGBERN O=C(N[C@H]1COc2ccc(F)cc2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000584811734 567071883 /nfs/dbraw/zinc/07/18/83/567071883.db2.gz BUQGXVLZVHDJPX-LLVKDONJSA-N 0 0 395.184 3.230 10 5 GGBERN O=C(N[C@@H]1COc2ccc(F)cc2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000584811736 567072462 /nfs/dbraw/zinc/07/24/62/567072462.db2.gz BUQGXVLZVHDJPX-NSHDSACASA-N 0 0 395.184 3.230 10 5 GGBERN COC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(F)(F)F ZINC000585700040 567080662 /nfs/dbraw/zinc/08/06/62/567080662.db2.gz LWMBFGQVMUCOEN-LBPRGKRZSA-N 0 0 399.163 3.363 10 5 GGBERN COc1cc(C(=O)NCc2ccc(Cl)o2)c([N+](=O)[O-])cc1OC(F)F ZINC000585704198 567080719 /nfs/dbraw/zinc/08/07/19/567080719.db2.gz REFMADKOYVLEPO-UHFFFAOYSA-N 0 0 376.699 3.381 10 5 GGBERN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ncc(Br)cn1 ZINC000431482677 567084254 /nfs/dbraw/zinc/08/42/54/567084254.db2.gz LMJNBEMONIIEOM-QMMMGPOBSA-N 0 0 392.213 3.205 10 5 GGBERN O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585750458 567085426 /nfs/dbraw/zinc/08/54/26/567085426.db2.gz DCZPJRJPUKYUGP-UHFFFAOYSA-N 0 0 390.193 3.033 10 5 GGBERN O=[N+]([O-])c1ccccc1CN(c1ncc(I)cn1)C1CC1 ZINC000545915697 567087097 /nfs/dbraw/zinc/08/70/97/567087097.db2.gz KNUQAMNGCDYFJP-UHFFFAOYSA-N 0 0 396.188 3.158 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@]2(CCCOC2)C1 ZINC000473539705 567087913 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CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000589021577 567151382 /nfs/dbraw/zinc/15/13/82/567151382.db2.gz NXGOMQICPOPSBT-NOZJJQNGSA-N 0 0 378.372 3.499 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000432455697 567161371 /nfs/dbraw/zinc/16/13/71/567161371.db2.gz LNWYXNYDUAMPEN-MRVPVSSYSA-N 0 0 396.201 3.039 10 5 GGBERN Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000474388224 567166565 /nfs/dbraw/zinc/16/65/65/567166565.db2.gz KFDZCUMRXQIXEZ-CYBMUJFWSA-N 0 0 382.825 3.359 10 5 GGBERN C[C@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1F ZINC000589258386 567169458 /nfs/dbraw/zinc/16/94/58/567169458.db2.gz JCRBLTWFRCCVBW-TVQRCGJNSA-N 0 0 378.185 3.379 10 5 GGBERN CC[C@H](C)C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000566622894 567172822 /nfs/dbraw/zinc/17/28/22/567172822.db2.gz QKMHOEMFGWRAIA-CABZTGNLSA-N 0 0 387.230 3.065 10 5 GGBERN CCOC(=O)c1c(C)onc1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000566647632 567176055 /nfs/dbraw/zinc/17/60/55/567176055.db2.gz GAGRUNREBVOMFF-UHFFFAOYSA-N 0 0 385.170 3.409 10 5 GGBERN C[C@H](Cc1ccc(Br)cc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589560894 567183642 /nfs/dbraw/zinc/18/36/42/567183642.db2.gz SAGSLBXOYWQMTQ-SNVBAGLBSA-N 0 0 380.242 3.475 10 5 GGBERN O=c1ccc([N+](=O)[O-])cn1CCN1CCc2cc(Br)c(Cl)cc21 ZINC000615808398 567207038 /nfs/dbraw/zinc/20/70/38/567207038.db2.gz HBIIERQJPBVCMI-UHFFFAOYSA-N 0 0 398.644 3.235 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2cc(Br)c(Cl)cc21 ZINC000615818934 567208175 /nfs/dbraw/zinc/20/81/75/567208175.db2.gz UZLHRJOMJIACGX-UHFFFAOYSA-N 0 0 399.632 3.105 10 5 GGBERN CCOc1cc(CN[C@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000432986635 567212512 /nfs/dbraw/zinc/21/25/12/567212512.db2.gz AUCOGOGSKROREP-SNVBAGLBSA-N 0 0 381.230 3.397 10 5 GGBERN COc1ccc(NC(=O)Cc2ccc(Br)cc2O)cc1[N+](=O)[O-] ZINC000498940725 567215388 /nfs/dbraw/zinc/21/53/88/567215388.db2.gz LWYVNDLAIPTBHR-UHFFFAOYSA-N 0 0 381.182 3.253 10 5 GGBERN Cc1ccc2c(c1)OCCN2S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000525019032 567226194 /nfs/dbraw/zinc/22/61/94/567226194.db2.gz WZOQGUQGXNXYIV-UHFFFAOYSA-N 0 0 382.825 3.453 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000590541711 567231792 /nfs/dbraw/zinc/23/17/92/567231792.db2.gz PPRHSDRXUGSKJB-ZFWWWQNUSA-N 0 0 390.237 3.215 10 5 GGBERN O=C(NCC[C@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475190091 567231890 /nfs/dbraw/zinc/23/18/90/567231890.db2.gz JIMBGUHEMUXMMD-VIFPVBQESA-N 0 0 375.225 3.048 10 5 GGBERN COc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000525193516 567234012 /nfs/dbraw/zinc/23/40/12/567234012.db2.gz NUUGQWCPZNVMMB-UHFFFAOYSA-N 0 0 393.241 3.088 10 5 GGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000433270078 567238395 /nfs/dbraw/zinc/23/83/95/567238395.db2.gz QJUOWWBCDPSSIA-ABAIWWIYSA-N 0 0 385.258 3.418 10 5 GGBERN Nc1cc(N2CCc3c(F)ccc(Br)c3C2)cc(CO)c1[N+](=O)[O-] ZINC000590704268 567239380 /nfs/dbraw/zinc/23/93/80/567239380.db2.gz GNMGFVCGQVLBEM-UHFFFAOYSA-N 0 0 396.216 3.134 10 5 GGBERN Nc1cc(N2CC[C@H](c3cccc(Br)c3)C2)cc(CO)c1[N+](=O)[O-] ZINC000590717861 567241088 /nfs/dbraw/zinc/24/10/88/567241088.db2.gz IAAAIINKEYREQA-LBPRGKRZSA-N 0 0 392.253 3.426 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCSC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000433359285 567246227 /nfs/dbraw/zinc/24/62/27/567246227.db2.gz ALOIWATYLLWXQK-UHFFFAOYSA-N 0 0 378.903 3.463 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)s1 ZINC000525387503 567247249 /nfs/dbraw/zinc/24/72/49/567247249.db2.gz GQGWJDAMQSDTSP-OIBJUYFYSA-N 0 0 376.818 3.283 10 5 GGBERN COc1ccc(S(=O)(=O)NCc2cc(F)c(Cl)cc2F)cc1[N+](=O)[O-] ZINC000433441129 567249295 /nfs/dbraw/zinc/24/92/95/567249295.db2.gz BNHIKCNFHTUGIW-UHFFFAOYSA-N 0 0 392.767 3.014 10 5 GGBERN Cc1c(NC(=O)N(CC(F)F)C[C@H](C)O)cc(Br)cc1[N+](=O)[O-] ZINC000455348040 567263771 /nfs/dbraw/zinc/26/37/71/567263771.db2.gz DJPLQJRPFVFIOB-ZETCQYMHSA-N 0 0 396.188 3.146 10 5 GGBERN Cc1c(NC(=O)NC[C@]2(O)CCC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000455360956 567264382 /nfs/dbraw/zinc/26/43/82/567264382.db2.gz UQXIHWYIWCVJPL-RFAUZJTJSA-N 0 0 386.246 3.338 10 5 GGBERN CC[C@H](NC(=O)NCc1nn(C)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000455383140 567269079 /nfs/dbraw/zinc/26/90/79/567269079.db2.gz XRPDAKWCNUSXPN-ZDUSSCGKSA-N 0 0 396.245 3.041 10 5 GGBERN Cc1nccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1Br ZINC000525848445 567269300 /nfs/dbraw/zinc/26/93/00/567269300.db2.gz QXDWDELEWULNGE-UHFFFAOYSA-N 0 0 379.214 3.147 10 5 GGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)cn1 ZINC000475722690 567270021 /nfs/dbraw/zinc/27/00/21/567270021.db2.gz LIDAEOLBZVJDCR-AWEZNQCLSA-N 0 0 382.189 3.469 10 5 GGBERN CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(CC)CC ZINC000433740872 567270681 /nfs/dbraw/zinc/27/06/81/567270681.db2.gz DYUSLUNXIJXZOW-NEPJUHHUSA-N 0 0 376.500 3.261 10 5 GGBERN C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2nccn21 ZINC000455397648 567270841 /nfs/dbraw/zinc/27/08/41/567270841.db2.gz GLHHAXQZMFDVOE-PRHODGIISA-N 0 0 380.202 3.381 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](O)C12CCCC2 ZINC000455404976 567270854 /nfs/dbraw/zinc/27/08/54/567270854.db2.gz SCFJGTUIHAWGRS-CYBMUJFWSA-N 0 0 384.230 3.269 10 5 GGBERN C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000455402006 567271147 /nfs/dbraw/zinc/27/11/47/567271147.db2.gz NGTJEHMGKFUDLV-INIZCTEOSA-N 0 0 397.273 3.307 10 5 GGBERN Cc1nccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1Br ZINC000525850945 567271561 /nfs/dbraw/zinc/27/15/61/567271561.db2.gz VWIZUWORTXDSID-UHFFFAOYSA-N 0 0 376.166 3.481 10 5 GGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCc3sc(Cl)cc3C2)cc1 ZINC000567777419 567277102 /nfs/dbraw/zinc/27/71/02/567277102.db2.gz FDPJNZIDQPZIIJ-UHFFFAOYSA-N 0 0 386.882 3.240 10 5 GGBERN COC(=O)c1cc(C(=O)Nc2ncc(C(F)(F)F)s2)cc([N+](=O)[O-])c1 ZINC000475844613 567281952 /nfs/dbraw/zinc/28/19/52/567281952.db2.gz CVKRXJAVZSAYGE-UHFFFAOYSA-N 0 0 375.284 3.109 10 5 GGBERN CCCN1C[C@@H](c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)CC1=O ZINC000591456617 567282927 /nfs/dbraw/zinc/28/29/27/567282927.db2.gz ARFNCFPESJYHED-VIFPVBQESA-N 0 0 395.213 3.133 10 5 GGBERN CCCN1C[C@@H](c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)CC1=O ZINC000591456998 567283328 /nfs/dbraw/zinc/28/33/28/567283328.db2.gz UJCPLTJSMFOCDR-JTQLQIEISA-N 0 0 395.213 3.133 10 5 GGBERN Cc1c(Br)cccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476151265 567300532 /nfs/dbraw/zinc/30/05/32/567300532.db2.gz KYXDLRQQRAHQCP-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN O=C(COc1ccc(Cl)cc1Cl)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476167175 567301720 /nfs/dbraw/zinc/30/17/20/567301720.db2.gz UHMIJOXCYAAWBL-UHFFFAOYSA-N 0 0 382.203 3.260 10 5 GGBERN CSc1cccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000434297138 567303469 /nfs/dbraw/zinc/30/34/69/567303469.db2.gz DQSWYPSHBWQUQG-ZANVPECISA-N 0 0 378.372 3.092 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[C@H](CC(F)(F)F)C1 ZINC000434290049 567303537 /nfs/dbraw/zinc/30/35/37/567303537.db2.gz XCDKJAFEDKKQHF-SNVBAGLBSA-N 0 0 378.372 3.094 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[C@@H](CC(F)(F)F)C1 ZINC000434290048 567303780 /nfs/dbraw/zinc/30/37/80/567303780.db2.gz XCDKJAFEDKKQHF-JTQLQIEISA-N 0 0 378.372 3.094 10 5 GGBERN O=C(c1c(F)cccc1Br)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476184886 567303806 /nfs/dbraw/zinc/30/38/06/567303806.db2.gz ZKMKFNXXWJTAIM-UHFFFAOYSA-N 0 0 380.173 3.090 10 5 GGBERN CN1CCO[C@H](CSc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000591953174 567305368 /nfs/dbraw/zinc/30/53/68/567305368.db2.gz FOJMQJJBNZIPGH-QMMMGPOBSA-N 0 0 387.330 3.067 10 5 GGBERN Cc1ccc(CN(CC2CC2)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000591977185 567306608 /nfs/dbraw/zinc/30/66/08/567306608.db2.gz ZCEZXRMDIMDLIP-UHFFFAOYSA-N 0 0 381.479 3.180 10 5 GGBERN COC(=O)c1cccc2c1CN(c1ncc([N+](=O)[O-])cc1Br)CC2 ZINC000591989064 567306657 /nfs/dbraw/zinc/30/66/57/567306657.db2.gz NKGZUQHOWGESJS-UHFFFAOYSA-N 0 0 392.209 3.102 10 5 GGBERN Cc1nccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1Br ZINC000527088658 567312919 /nfs/dbraw/zinc/31/29/19/567312919.db2.gz QMZBEWUCZQEAMP-SECBINFHSA-N 0 0 379.214 3.365 10 5 GGBERN CCc1n[nH]c(C(=O)N(C)Cc2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC000434505875 567312943 /nfs/dbraw/zinc/31/29/43/567312943.db2.gz SKMUDMUHWPWOAG-UHFFFAOYSA-N 0 0 381.230 3.223 10 5 GGBERN Cc1nccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1Br ZINC000527088045 567312988 /nfs/dbraw/zinc/31/29/88/567312988.db2.gz RRDGMOXIRZLTNQ-UHFFFAOYSA-N 0 0 391.225 3.073 10 5 GGBERN CSc1ccc(C(=O)Nc2ccnc(C)c2Br)cc1[N+](=O)[O-] ZINC000527092584 567313780 /nfs/dbraw/zinc/31/37/80/567313780.db2.gz BYJXKYZSGYVWEE-UHFFFAOYSA-N 0 0 382.239 3.457 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCC(F)CC2)c(C(F)(F)F)c1 ZINC000592106436 567314645 /nfs/dbraw/zinc/31/46/45/567314645.db2.gz UZZXBZNZACDCSM-UHFFFAOYSA-N 0 0 384.351 3.420 10 5 GGBERN CN(C)S(=O)(=O)c1cc(Cl)ccc1OCc1c(F)cccc1[N+](=O)[O-] ZINC000434650434 567319042 /nfs/dbraw/zinc/31/90/42/567319042.db2.gz MWCIFBGNUSGNBN-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN Cc1c(COc2ccc(Cl)cc2S(=O)(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000434646856 567319062 /nfs/dbraw/zinc/31/90/62/567319062.db2.gz DAMYKANEDKNCAS-UHFFFAOYSA-N 0 0 384.841 3.386 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1OCCC[C@@H]1CCOC1 ZINC000592349965 567330543 /nfs/dbraw/zinc/33/05/43/567330543.db2.gz OMIFCFYSISHHLI-SNVBAGLBSA-N 0 0 377.178 3.395 10 5 GGBERN CCn1c(CSc2ccccc2[N+](=O)[O-])nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000592410013 567336597 /nfs/dbraw/zinc/33/65/97/567336597.db2.gz KRFBIFOJGDPTKO-RYUDHWBXSA-N 0 0 377.495 3.193 10 5 GGBERN CCN1C[C@@H](c2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)CC1=O ZINC000592417926 567336739 /nfs/dbraw/zinc/33/67/39/567336739.db2.gz QQXVQYZGDHAZST-JTQLQIEISA-N 0 0 395.213 3.052 10 5 GGBERN COc1ccc(Br)cc1C1(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000592460376 567340336 /nfs/dbraw/zinc/34/03/36/567340336.db2.gz DQHRNYJBECKAFN-UHFFFAOYSA-N 0 0 394.225 3.124 10 5 GGBERN COc1ccc(Br)cc1C1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000592460458 567340842 /nfs/dbraw/zinc/34/08/42/567340842.db2.gz HFUPGGQMDVPRIB-UHFFFAOYSA-N 0 0 380.198 3.113 10 5 GGBERN CCn1cc([C@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000617880712 567342423 /nfs/dbraw/zinc/34/24/23/567342423.db2.gz VVDMAIBQRSQBTJ-OAHLLOKOSA-N 0 0 380.857 3.395 10 5 GGBERN CCn1cc([C@@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000617880711 567342698 /nfs/dbraw/zinc/34/26/98/567342698.db2.gz VVDMAIBQRSQBTJ-HNNXBMFYSA-N 0 0 380.857 3.395 10 5 GGBERN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000456135362 567345071 /nfs/dbraw/zinc/34/50/71/567345071.db2.gz NCCWUEPWCOBSKR-RISCZKNCSA-N 0 0 399.241 3.127 10 5 GGBERN Cc1c(Br)cc(C(=O)Nc2n[nH]c3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000476797143 567349320 /nfs/dbraw/zinc/34/93/20/567349320.db2.gz MHYNRKHUXZGCTM-UHFFFAOYSA-N 0 0 393.172 3.355 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3csc(C)n3)s2)n1 ZINC000568706988 567349756 /nfs/dbraw/zinc/34/97/56/567349756.db2.gz NZSWLFNQPIVMQM-UHFFFAOYSA-N 0 0 377.451 3.235 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000476858087 567352792 /nfs/dbraw/zinc/35/27/92/567352792.db2.gz WDLBZLWCHULDNB-UHFFFAOYSA-N 0 0 395.209 3.305 10 5 GGBERN COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592685898 567353734 /nfs/dbraw/zinc/35/37/34/567353734.db2.gz FCLFGIVUOJMOHB-LLVKDONJSA-N 0 0 387.230 3.065 10 5 GGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592696999 567355245 /nfs/dbraw/zinc/35/52/45/567355245.db2.gz JUDWUMYFZPDQOR-BJHJDKERSA-N 0 0 385.258 3.362 10 5 GGBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592688141 567355563 /nfs/dbraw/zinc/35/55/63/567355563.db2.gz HGTVKRQTWSURRN-LBPRGKRZSA-N 0 0 387.230 3.065 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@H]2C(C)(C)O)cc(Br)cc1[N+](=O)[O-] ZINC000435331284 567355756 /nfs/dbraw/zinc/35/57/56/567355756.db2.gz ZWMBQOHCNNODSN-CYBMUJFWSA-N 0 0 386.246 3.433 10 5 GGBERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1SC ZINC000592700618 567355769 /nfs/dbraw/zinc/35/57/69/567355769.db2.gz KNXUOXLEGLZBLN-RTXFEEFZSA-N 0 0 378.372 3.252 10 5 GGBERN CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592706301 567356046 /nfs/dbraw/zinc/35/60/46/567356046.db2.gz ULYUBYFUBDWUHP-PVRXDPTQSA-N 0 0 388.873 3.041 10 5 GGBERN CCOC(=O)CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435330813 567356542 /nfs/dbraw/zinc/35/65/42/567356542.db2.gz WLPPZZRYKVQVNR-UHFFFAOYSA-N 0 0 388.218 3.131 10 5 GGBERN CC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1csc(C)c1 ZINC000592731273 567357961 /nfs/dbraw/zinc/35/79/61/567357961.db2.gz XECQFBDQMIDGGT-CQSZACIVSA-N 0 0 382.463 3.249 10 5 GGBERN CC[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1csc(C)c1 ZINC000592731271 567358394 /nfs/dbraw/zinc/35/83/94/567358394.db2.gz XECQFBDQMIDGGT-AWEZNQCLSA-N 0 0 382.463 3.249 10 5 GGBERN Cc1ccc2c(c1C)OC[C@@H]2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476985205 567362277 /nfs/dbraw/zinc/36/22/77/567362277.db2.gz WNLOSNQZAPRYCD-AWEZNQCLSA-N 0 0 382.825 3.277 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H](CO)c1ccccc1 ZINC000501071698 567362683 /nfs/dbraw/zinc/36/26/83/567362683.db2.gz MISIHUOAONCMSH-AWEZNQCLSA-N 0 0 380.198 3.212 10 5 GGBERN O=C(NCc1ccn2ccnc2c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501104580 567364724 /nfs/dbraw/zinc/36/47/24/567364724.db2.gz GJVJBKCANXNJEZ-UHFFFAOYSA-N 0 0 390.197 3.327 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H](CO)c1ccsc1 ZINC000501098693 567364744 /nfs/dbraw/zinc/36/47/44/567364744.db2.gz ILAHNXDXICLCDE-GFCCVEGCSA-N 0 0 386.227 3.274 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(F)cc1 ZINC000501128084 567367923 /nfs/dbraw/zinc/36/79/23/567367923.db2.gz KRWGCPSIQIQHHZ-CQSZACIVSA-N 0 0 398.188 3.352 10 5 GGBERN Cc1c(NC(=O)NCCCOC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000549023173 567369138 /nfs/dbraw/zinc/36/91/38/567369138.db2.gz IJMQOKRYSZBQEV-UHFFFAOYSA-N 0 0 382.161 3.417 10 5 GGBERN Cc1sc2nc(C)nc(-n3cc(Br)c(=O)c([N+](=O)[O-])c3)c2c1C ZINC000477147269 567375483 /nfs/dbraw/zinc/37/54/83/567375483.db2.gz GVCQOYYQWJEJAU-UHFFFAOYSA-N 0 0 395.238 3.438 10 5 GGBERN COCCOc1cncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000501291360 567377536 /nfs/dbraw/zinc/37/75/36/567377536.db2.gz UQEMFNKTEHGTEK-UHFFFAOYSA-N 0 0 396.197 3.030 10 5 GGBERN NS(=O)(=O)c1cc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1 ZINC000435597831 567378470 /nfs/dbraw/zinc/37/84/70/567378470.db2.gz LQGOWMZLPAUIBF-AULYBMBSSA-N 0 0 381.841 3.254 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCN1c1nccs1 ZINC000501292173 567379051 /nfs/dbraw/zinc/37/90/51/567379051.db2.gz MTZLYQGVQCJKOH-GFCCVEGCSA-N 0 0 397.254 3.421 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2ccc(Br)cn2)c1 ZINC000593029822 567379937 /nfs/dbraw/zinc/37/99/37/567379937.db2.gz YFFUSFWMJZDFCG-JTQLQIEISA-N 0 0 394.225 3.390 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](c2nccs2)C(F)(F)F)c1 ZINC000593032333 567380591 /nfs/dbraw/zinc/38/05/91/567380591.db2.gz XZAHNLBSQHFJLY-LLVKDONJSA-N 0 0 375.328 3.231 10 5 GGBERN COC(=O)[C@H]1CC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501320205 567380711 /nfs/dbraw/zinc/38/07/11/567380711.db2.gz YXNGPWJDYDNYPP-MGCOHNPYSA-N 0 0 385.214 3.275 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000549255646 567382688 /nfs/dbraw/zinc/38/26/88/567382688.db2.gz QTBLZNOJKKEFIR-GHMZBOCLSA-N 0 0 390.889 3.429 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000549255648 567382875 /nfs/dbraw/zinc/38/28/75/567382875.db2.gz QTBLZNOJKKEFIR-PTEHBNRSSA-N 0 0 390.889 3.429 10 5 GGBERN CCO[C@@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000549286398 567384013 /nfs/dbraw/zinc/38/40/13/567384013.db2.gz YBUDKRRHDMSSHC-CFVMTHIKSA-N 0 0 381.230 3.384 10 5 GGBERN C[C@@H](NC(=O)Cc1ccc(Br)cc1O)c1cccc([N+](=O)[O-])c1 ZINC000477275280 567385164 /nfs/dbraw/zinc/38/51/64/567385164.db2.gz QOISBWXRMSFNBI-SNVBAGLBSA-N 0 0 379.210 3.483 10 5 GGBERN Cc1csc(N2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000477281554 567385716 /nfs/dbraw/zinc/38/57/16/567385716.db2.gz PTPPRDXJDBQNES-UHFFFAOYSA-N 0 0 380.857 3.284 10 5 GGBERN CCn1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc2cccnc21 ZINC000477380117 567391157 /nfs/dbraw/zinc/39/11/57/567391157.db2.gz MIXZREWRRZCTFM-UHFFFAOYSA-N 0 0 390.197 3.374 10 5 GGBERN Cc1cnc(N2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000477376443 567391524 /nfs/dbraw/zinc/39/15/24/567391524.db2.gz QTALVIVNVYMBFX-UHFFFAOYSA-N 0 0 380.857 3.284 10 5 GGBERN COc1cc(Cn2c(=O)oc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] ZINC000569293002 567393357 /nfs/dbraw/zinc/39/33/57/567393357.db2.gz KLVQBZKIKADWBE-UHFFFAOYSA-N 0 0 397.156 3.461 10 5 GGBERN O=C(Cc1ccc(Br)cc1O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000477420491 567393642 /nfs/dbraw/zinc/39/36/42/567393642.db2.gz FCQZQWXVIVOCDO-UHFFFAOYSA-N 0 0 391.181 3.120 10 5 GGBERN CS(=O)(=O)c1cccc(OCCSCc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000593188693 567393692 /nfs/dbraw/zinc/39/36/92/567393692.db2.gz APIPHKVCSLXBTJ-UHFFFAOYSA-N 0 0 383.447 3.016 10 5 GGBERN C[C@H](CO)C1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000593205419 567396206 /nfs/dbraw/zinc/39/62/06/567396206.db2.gz VTKWQONNKCUBFH-SNVBAGLBSA-N 0 0 386.246 3.230 10 5 GGBERN O=C(c1c(F)cccc1Cl)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000477480277 567397466 /nfs/dbraw/zinc/39/74/66/567397466.db2.gz DAQKRQGSVQXCNB-UHFFFAOYSA-N 0 0 383.832 3.407 10 5 GGBERN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1n1cccn1 ZINC000549684347 567404578 /nfs/dbraw/zinc/40/45/78/567404578.db2.gz RXWDGZREDJCAKJ-RRFJBIMHSA-N 0 0 381.230 3.384 10 5 GGBERN C[C@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593318767 567406422 /nfs/dbraw/zinc/40/64/22/567406422.db2.gz HEXFOYLECFBSCX-QMMMGPOBSA-N 0 0 375.244 3.202 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)OCC12CCC2 ZINC000593321543 567407116 /nfs/dbraw/zinc/40/71/16/567407116.db2.gz ZADHTMLMGDTWMR-SNVBAGLBSA-N 0 0 383.242 3.449 10 5 GGBERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000436177532 567411916 /nfs/dbraw/zinc/41/19/16/567411916.db2.gz KDTLDVNBEVMPGC-NXEZZACHSA-N 0 0 377.260 3.166 10 5 GGBERN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000456748396 567415410 /nfs/dbraw/zinc/41/54/10/567415410.db2.gz TVQHOROKZUIOCX-JTQLQIEISA-N 0 0 379.766 3.204 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c1C ZINC000549915521 567417813 /nfs/dbraw/zinc/41/78/13/567417813.db2.gz IGFAGKXRTQKPCB-NSHDSACASA-N 0 0 395.384 3.250 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)c1C ZINC000549915517 567418007 /nfs/dbraw/zinc/41/80/07/567418007.db2.gz IGFAGKXRTQKPCB-LLVKDONJSA-N 0 0 395.384 3.250 10 5 GGBERN C[C@@]1(c2cccc(F)c2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000593481299 567418394 /nfs/dbraw/zinc/41/83/94/567418394.db2.gz JIJBIIGWZXEBCS-MRXNPFEDSA-N 0 0 384.454 3.367 10 5 GGBERN COc1ncccc1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502093174 567418875 /nfs/dbraw/zinc/41/88/75/567418875.db2.gz BBZUVTZJUJHCIG-UHFFFAOYSA-N 0 0 389.209 3.343 10 5 GGBERN Cc1cc(NCc2ncc3c(n2)CCOC3)c(Br)cc1[N+](=O)[O-] ZINC000593489802 567418837 /nfs/dbraw/zinc/41/88/37/567418837.db2.gz XSJKUONBYPDKTM-UHFFFAOYSA-N 0 0 379.214 3.141 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCO[C@@H](COc3ccccc3)C2)c(Br)c1 ZINC000477800906 567419568 /nfs/dbraw/zinc/41/95/68/567419568.db2.gz YVUATIJOXKTKEX-CQSZACIVSA-N 0 0 394.225 3.037 10 5 GGBERN C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593518524 567420480 /nfs/dbraw/zinc/42/04/80/567420480.db2.gz QXBTXYMEGAZKIF-JTQLQIEISA-N 0 0 384.454 3.365 10 5 GGBERN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000456943095 567428148 /nfs/dbraw/zinc/42/81/48/567428148.db2.gz WJLGUHCJTFAAMG-UHFFFAOYSA-N 0 0 379.766 3.347 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC12CCCC2 ZINC000593618976 567428480 /nfs/dbraw/zinc/42/84/80/567428480.db2.gz XNUHIXIUZYWQHK-UHFFFAOYSA-N 0 0 375.244 3.065 10 5 GGBERN COc1ccc(Br)cc1CN(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000502341659 567429175 /nfs/dbraw/zinc/42/91/75/567429175.db2.gz OXIPADAEZGILHM-UHFFFAOYSA-N 0 0 392.213 3.045 10 5 GGBERN C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593648405 567431861 /nfs/dbraw/zinc/43/18/61/567431861.db2.gz YIUXQEDBVDSRGF-VIFPVBQESA-N 0 0 395.264 3.234 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000593665084 567433072 /nfs/dbraw/zinc/43/30/72/567433072.db2.gz BTXSKXYYNQKSRC-LLVKDONJSA-N 0 0 386.298 3.033 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593665314 567433463 /nfs/dbraw/zinc/43/34/63/567433463.db2.gz GRIMCINNHUAKKL-LLVKDONJSA-N 0 0 387.191 3.321 10 5 GGBERN Cc1c(NC(=O)C(=O)NC2(C3CCC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000593700906 567435785 /nfs/dbraw/zinc/43/57/85/567435785.db2.gz DBXNUIIXROPSRV-UHFFFAOYSA-N 0 0 396.241 3.053 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCc1ccccn1 ZINC000550321262 567441222 /nfs/dbraw/zinc/44/12/22/567441222.db2.gz PGFJBNWKIFLBHR-UHFFFAOYSA-N 0 0 378.226 3.423 10 5 GGBERN O=[N+]([O-])c1ccc(Sc2nnnn2-c2ccccc2)c(Br)c1 ZINC000478234505 567443390 /nfs/dbraw/zinc/44/33/90/567443390.db2.gz RIIWGELNFXLULZ-UHFFFAOYSA-N 0 0 378.211 3.484 10 5 GGBERN O=C(c1cc(Cl)sc1Cl)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457148145 567444134 /nfs/dbraw/zinc/44/41/34/567444134.db2.gz ZIAYLDXRSYXVGQ-UHFFFAOYSA-N 0 0 387.248 3.321 10 5 GGBERN COC(=O)c1cnc(NCCc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000478264026 567444704 /nfs/dbraw/zinc/44/47/04/567444704.db2.gz DBEXPNPCMGOAAC-UHFFFAOYSA-N 0 0 380.198 3.194 10 5 GGBERN Cc1c(Br)c(N2CCC3(C2)Oc2ccccc2O3)ncc1[N+](=O)[O-] ZINC000569959929 567448191 /nfs/dbraw/zinc/44/81/91/567448191.db2.gz ZIQRRMFSLLVSMA-UHFFFAOYSA-N 0 0 392.209 3.439 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cncc(OC(C)C)n1 ZINC000594067050 567457360 /nfs/dbraw/zinc/45/73/60/567457360.db2.gz IMLAOJQSBYOLIQ-UHFFFAOYSA-N 0 0 395.213 3.495 10 5 GGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594072969 567457437 /nfs/dbraw/zinc/45/74/37/567457437.db2.gz QPXBKOICLNDADF-HUUCEWRRSA-N 0 0 383.242 3.435 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000619494465 567458668 /nfs/dbraw/zinc/45/86/68/567458668.db2.gz CGDCKWSEABUESR-ZDUSSCGKSA-N 0 0 382.360 3.003 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000619494464 567458952 /nfs/dbraw/zinc/45/89/52/567458952.db2.gz CGDCKWSEABUESR-CYBMUJFWSA-N 0 0 382.360 3.003 10 5 GGBERN COCC1(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000594118064 567460127 /nfs/dbraw/zinc/46/01/27/567460127.db2.gz NAMZPEAHKGZDJO-UHFFFAOYSA-N 0 0 378.372 3.249 10 5 GGBERN CC(C)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])C(F)F ZINC000619501459 567460441 /nfs/dbraw/zinc/46/04/41/567460441.db2.gz KVGAGODXQIKWBK-UHFFFAOYSA-N 0 0 377.413 3.225 10 5 GGBERN COC[C@H](CC(C)(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000594138165 567462218 /nfs/dbraw/zinc/46/22/18/567462218.db2.gz OLKJHLDJBVMDEX-LBPRGKRZSA-N 0 0 387.274 3.467 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CC[C@@H](CO)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000619540774 567462997 /nfs/dbraw/zinc/46/29/97/567462997.db2.gz GSWKSNDQPNRPPV-KLPPZKSPSA-N 0 0 386.246 3.338 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594165275 567463397 /nfs/dbraw/zinc/46/33/97/567463397.db2.gz OLEYLSYRMQPXCP-WCQYABFASA-N 0 0 378.372 3.303 10 5 GGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594164124 567463415 /nfs/dbraw/zinc/46/34/15/567463415.db2.gz HDVHLIDTQRHQHM-MFKMUULPSA-N 0 0 378.372 3.303 10 5 GGBERN Cc1cc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)ncn1 ZINC000619541642 567463445 /nfs/dbraw/zinc/46/34/45/567463445.db2.gz PZIGLMTWIRPYFZ-UHFFFAOYSA-N 0 0 380.202 3.086 10 5 GGBERN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCCO1 ZINC000594179308 567463503 /nfs/dbraw/zinc/46/35/03/567463503.db2.gz XJDNZRSRIZMFCT-LSDHHAIUSA-N 0 0 385.258 3.364 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2c1 ZINC000570195579 567464586 /nfs/dbraw/zinc/46/45/86/567464586.db2.gz NDXJPQGKVSFWRJ-UHFFFAOYSA-N 0 0 379.825 3.251 10 5 GGBERN CC1(C)CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])c2ccc(Br)cc21 ZINC000594357918 567470917 /nfs/dbraw/zinc/47/09/17/567470917.db2.gz VHDPHSKRXHMRRC-UHFFFAOYSA-N 0 0 391.225 3.103 10 5 GGBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1(CO)CC=CC1 ZINC000594376820 567471436 /nfs/dbraw/zinc/47/14/36/567471436.db2.gz OMBZXXNKZXMZOW-HNNXBMFYSA-N 0 0 397.269 3.440 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000594486530 567480327 /nfs/dbraw/zinc/48/03/27/567480327.db2.gz HJJCOIHBVQPHDA-SNVBAGLBSA-N 0 0 378.397 3.096 10 5 GGBERN C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000594488934 567481675 /nfs/dbraw/zinc/48/16/75/567481675.db2.gz XAWAKCQUYJGRTK-LBPRGKRZSA-N 0 0 376.425 3.271 10 5 GGBERN C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594488028 567482059 /nfs/dbraw/zinc/48/20/59/567482059.db2.gz QDNYWZXKCAHKOS-LBPRGKRZSA-N 0 0 388.873 3.361 10 5 GGBERN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC2(CCCCC2)O1 ZINC000594487098 567482206 /nfs/dbraw/zinc/48/22/06/567482206.db2.gz DJEIWBKMXBBCKQ-LBPRGKRZSA-N 0 0 388.873 3.361 10 5 GGBERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594488027 567482394 /nfs/dbraw/zinc/48/23/94/567482394.db2.gz QDNYWZXKCAHKOS-GFCCVEGCSA-N 0 0 388.873 3.361 10 5 GGBERN COc1cccc([N+](=O)[O-])c1N1CCC(n2cc(Br)cn2)CC1 ZINC000594550417 567484990 /nfs/dbraw/zinc/48/49/90/567484990.db2.gz IHIKHJSUWJJMQB-UHFFFAOYSA-N 0 0 381.230 3.404 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000437274088 567486944 /nfs/dbraw/zinc/48/69/44/567486944.db2.gz MQRTUOSLZBKKOB-LSDHHAIUSA-N 0 0 376.210 3.347 10 5 GGBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000478894243 567488482 /nfs/dbraw/zinc/48/84/82/567488482.db2.gz FSFCBHFVRFBKRB-BXUZGUMPSA-N 0 0 380.388 3.130 10 5 GGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2cc(Br)ccc2O1 ZINC000570533751 567493653 /nfs/dbraw/zinc/49/36/53/567493653.db2.gz HDQQIZDDBFJBBZ-VIFPVBQESA-N 0 0 378.182 3.180 10 5 GGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(Br)cc2[nH]cnc21 ZINC000503548494 567494300 /nfs/dbraw/zinc/49/43/00/567494300.db2.gz NVBCGDXSEABTDG-UHFFFAOYSA-N 0 0 389.209 3.206 10 5 GGBERN O=C(c1cc(Br)cc2[nH]cnc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000503637467 567497471 /nfs/dbraw/zinc/49/74/71/567497471.db2.gz RZMKTJGINKQHAX-UHFFFAOYSA-N 0 0 387.193 3.437 10 5 GGBERN CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C1CCC1 ZINC000551317194 567497945 /nfs/dbraw/zinc/49/79/45/567497945.db2.gz VXXANNQEFVQBEK-UHFFFAOYSA-N 0 0 399.241 3.224 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000503736388 567504520 /nfs/dbraw/zinc/50/45/20/567504520.db2.gz MXQQSCAPZAVVHL-UHFFFAOYSA-N 0 0 394.758 3.187 10 5 GGBERN COCC[C@@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000503771853 567505545 /nfs/dbraw/zinc/50/55/45/567505545.db2.gz JFHSNFSSTXRNAA-CYBMUJFWSA-N 0 0 388.829 3.206 10 5 GGBERN CCCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752873 567506139 /nfs/dbraw/zinc/50/61/39/567506139.db2.gz UKKBXEFYUTYHDV-UHFFFAOYSA-N 0 0 387.820 3.383 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(-c3cccnc3)cc2)s1 ZINC000437704266 567506601 /nfs/dbraw/zinc/50/66/01/567506601.db2.gz ACPIQDONJSFNHO-UHFFFAOYSA-N 0 0 375.431 3.197 10 5 GGBERN C[C@H](CC(F)(F)F)CS(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594765636 567508946 /nfs/dbraw/zinc/50/89/46/567508946.db2.gz YQMPYSNUIVNTOT-LLVKDONJSA-N 0 0 380.388 3.478 10 5 GGBERN Cc1c(NC(=O)c2cnc3c(cnn3C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000570757174 567511083 /nfs/dbraw/zinc/51/10/83/567511083.db2.gz PYWUPPGMFBJUFT-UHFFFAOYSA-N 0 0 390.197 3.200 10 5 GGBERN COc1ccccc1C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000479220421 567515883 /nfs/dbraw/zinc/51/58/83/567515883.db2.gz HMOSGHJCHYCXMQ-CYBMUJFWSA-N 0 0 384.479 3.211 10 5 GGBERN CO[C@@H](COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594898348 567523331 /nfs/dbraw/zinc/52/33/31/567523331.db2.gz OHZOWSREJWYOPL-BMIGLBTASA-N 0 0 397.225 3.336 10 5 GGBERN CO[C@@H](COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594898349 567523900 /nfs/dbraw/zinc/52/39/00/567523900.db2.gz OHZOWSREJWYOPL-BONVTDFDSA-N 0 0 397.225 3.336 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1CCC2(CC2(F)F)CC1 ZINC000594870724 567524042 /nfs/dbraw/zinc/52/40/42/567524042.db2.gz OSJHQVGAHAEJTG-UHFFFAOYSA-N 0 0 380.800 3.495 10 5 GGBERN Cc1ncc([N+](=O)[O-])c(OCC(=O)COc2ccc(Br)cc2)c1C ZINC000594905304 567525692 /nfs/dbraw/zinc/52/56/92/567525692.db2.gz YBGSIKOOMNUPIC-UHFFFAOYSA-N 0 0 395.209 3.396 10 5 GGBERN C[C@H](NC(=O)c1cccs1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551668438 567527450 /nfs/dbraw/zinc/52/74/50/567527450.db2.gz RKRVCLQSZYLKEA-QMMMGPOBSA-N 0 0 398.238 3.176 10 5 GGBERN CCOC(=O)C1(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000551681035 567528701 /nfs/dbraw/zinc/52/87/01/567528701.db2.gz CZSKEXJFSOQCIH-UHFFFAOYSA-N 0 0 385.214 3.419 10 5 GGBERN O=C(NCc1cc(F)cc(Br)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000551722013 567531151 /nfs/dbraw/zinc/53/11/51/567531151.db2.gz RTYFNSKGEDCQPT-UHFFFAOYSA-N 0 0 393.172 3.303 10 5 GGBERN CN(Cc1cccs1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551708679 567531280 /nfs/dbraw/zinc/53/12/80/567531280.db2.gz ZEMJQSJYIIGQQR-UHFFFAOYSA-N 0 0 398.238 3.016 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000479412094 567533431 /nfs/dbraw/zinc/53/34/31/567533431.db2.gz AVSFRBSGTQIRMM-IAQYHMDHSA-N 0 0 390.889 3.429 10 5 GGBERN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438629220 567539404 /nfs/dbraw/zinc/53/94/04/567539404.db2.gz UFMVSUOTYHYLCX-GFCCVEGCSA-N 0 0 380.198 3.281 10 5 GGBERN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438629222 567539482 /nfs/dbraw/zinc/53/94/82/567539482.db2.gz UFMVSUOTYHYLCX-LBPRGKRZSA-N 0 0 380.198 3.281 10 5 GGBERN Cc1c(CC(=O)Nc2cnc3c(Br)cccn23)cccc1[N+](=O)[O-] ZINC000552074580 567556447 /nfs/dbraw/zinc/55/64/47/567556447.db2.gz SUBKUEPXBWRIBE-UHFFFAOYSA-N 0 0 389.209 3.495 10 5 GGBERN Cc1c(CNC(=O)c2cc(Br)cc3[nH]cnc32)cccc1[N+](=O)[O-] ZINC000505077323 567556985 /nfs/dbraw/zinc/55/69/85/567556985.db2.gz WZNDAWUUPLWBQR-UHFFFAOYSA-N 0 0 389.209 3.472 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000438954164 567557441 /nfs/dbraw/zinc/55/74/41/567557441.db2.gz IVDSZUPPIIHBHY-JTQLQIEISA-N 0 0 379.766 3.265 10 5 GGBERN COc1ccc2c(c1)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000595358255 567557532 /nfs/dbraw/zinc/55/75/32/567557532.db2.gz XMACLGZZUGGJMH-UHFFFAOYSA-N 0 0 382.825 3.398 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)c1cccc(S(C)(=O)=O)c1 ZINC000438953190 567557712 /nfs/dbraw/zinc/55/77/12/567557712.db2.gz ZYAYGQLMHVTCTK-UHFFFAOYSA-N 0 0 382.825 3.237 10 5 GGBERN Cc1sc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000595413385 567562421 /nfs/dbraw/zinc/56/24/21/567562421.db2.gz AAVQIUSGSYAAHL-OAHLLOKOSA-N 0 0 379.463 3.276 10 5 GGBERN CC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000439087791 567565159 /nfs/dbraw/zinc/56/51/59/567565159.db2.gz FNGSPNHOWUVROA-INIZCTEOSA-N 0 0 384.479 3.008 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC/C=C\c2ccccc2)c(Br)c1 ZINC000479884294 567566416 /nfs/dbraw/zinc/56/64/16/567566416.db2.gz GPHIUEKBXPFZGH-DAXSKMNVSA-N 0 0 397.250 3.349 10 5 GGBERN C[C@](CO)(NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000595492027 567568007 /nfs/dbraw/zinc/56/80/07/567568007.db2.gz KRBIDBRXKAEJIJ-MRXNPFEDSA-N 0 0 383.217 3.494 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN2CC[C@@H]2C(F)(F)F)c1 ZINC000595489997 567568045 /nfs/dbraw/zinc/56/80/45/567568045.db2.gz WJEYDZHMMBTGPN-SNVBAGLBSA-N 0 0 386.111 3.336 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)c1ccccc1S(C)(=O)=O ZINC000439173877 567569181 /nfs/dbraw/zinc/56/91/81/567569181.db2.gz UYLCUDYKKIWVCT-UHFFFAOYSA-N 0 0 382.825 3.237 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439275569 567579281 /nfs/dbraw/zinc/57/92/81/567579281.db2.gz OXZYKDFOBOTKPV-VXGBXAGGSA-N 0 0 383.242 3.246 10 5 GGBERN CSc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cnn1C ZINC000480079161 567580169 /nfs/dbraw/zinc/58/01/69/567580169.db2.gz AHNSDNOSNOBHPS-UHFFFAOYSA-N 0 0 375.435 3.426 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ncc(Br)cn2)c1 ZINC000552388140 567585923 /nfs/dbraw/zinc/58/59/23/567585923.db2.gz OGSQHDQPBRRBCG-QMMMGPOBSA-N 0 0 397.254 3.360 10 5 GGBERN COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000552397862 567587508 /nfs/dbraw/zinc/58/75/08/567587508.db2.gz CCSLPPKPTWQMLW-UHFFFAOYSA-N 0 0 396.197 3.341 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1-n1ccnn1 ZINC000552395838 567587580 /nfs/dbraw/zinc/58/75/80/567587580.db2.gz UJUOPJQJHGEMAM-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(-c2nc[nH]n2)c1 ZINC000552396922 567587796 /nfs/dbraw/zinc/58/77/96/567587796.db2.gz KOIQBAUZJJNTMI-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1Br ZINC000530323132 567592027 /nfs/dbraw/zinc/59/20/27/567592027.db2.gz QTFLOSWOSUGONK-UHFFFAOYSA-N 0 0 379.214 3.066 10 5 GGBERN Cn1ncc2c1CC(C)(C)CN(c1ncc(Br)cc1[N+](=O)[O-])C2 ZINC000596001529 567597856 /nfs/dbraw/zinc/59/78/56/567597856.db2.gz XEMNLRGFNQKEHP-UHFFFAOYSA-N 0 0 380.246 3.075 10 5 GGBERN Cc1c(NCCc2nnn(C(C)(C)C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000596032557 567600523 /nfs/dbraw/zinc/60/05/23/567600523.db2.gz OLMBXPUKPFFWSV-UHFFFAOYSA-N 0 0 383.250 3.062 10 5 GGBERN CC(C)c1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cc1[N+](=O)[O-] ZINC000439768225 567603074 /nfs/dbraw/zinc/60/30/74/567603074.db2.gz RGRSDUNXESHRSF-UHFFFAOYSA-N 0 0 380.198 3.421 10 5 GGBERN CCc1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000552732551 567606064 /nfs/dbraw/zinc/60/60/64/567606064.db2.gz CVVKRSVLTMRGIZ-VIFPVBQESA-N 0 0 379.214 3.201 10 5 GGBERN COC(=O)C12CCC(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)(CC1)C2 ZINC000552741910 567606566 /nfs/dbraw/zinc/60/65/66/567606566.db2.gz MZDBLXLTYHALGW-UHFFFAOYSA-N 0 0 397.225 3.419 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(-c2nc[nH]n2)cc1 ZINC000552743516 567606635 /nfs/dbraw/zinc/60/66/35/567606635.db2.gz OSTHFSQQEBRCLJ-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN COc1cc(N2CCN(Cc3csc(C)n3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596065030 567607180 /nfs/dbraw/zinc/60/71/80/567607180.db2.gz AMJFZGVELWTYOR-UHFFFAOYSA-N 0 0 382.873 3.344 10 5 GGBERN Cn1cc(-c2c[nH]cc2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000552741230 567607321 /nfs/dbraw/zinc/60/73/21/567607321.db2.gz CJGFNORRSOPLIY-UHFFFAOYSA-N 0 0 390.197 3.338 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439923626 567608074 /nfs/dbraw/zinc/60/80/74/567608074.db2.gz RBEAMNAIXAHQQC-NEPJUHHUSA-N 0 0 383.242 3.246 10 5 GGBERN COC(=O)c1c(Cl)c(N[C@@H]2CCN(CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596099415 567608364 /nfs/dbraw/zinc/60/83/64/567608364.db2.gz VQLCRJVDSFUREN-MRVPVSSYSA-N 0 0 381.738 3.083 10 5 GGBERN COC(=O)c1c(Cl)c(N2CCN(c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000596160096 567613411 /nfs/dbraw/zinc/61/34/11/567613411.db2.gz FYPABQOSBPQQNQ-UHFFFAOYSA-N 0 0 381.841 3.423 10 5 GGBERN CCC1(CC)CN(c2c(Br)cccc2[N+](=O)[O-])CC[S@]1=O ZINC000596193524 567614119 /nfs/dbraw/zinc/61/41/19/567614119.db2.gz FKMRNRFVBZBOHK-OAQYLSRUSA-N 0 0 375.288 3.485 10 5 GGBERN Cc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)cc1[N+](=O)[O-] ZINC000506192181 567614096 /nfs/dbraw/zinc/61/40/96/567614096.db2.gz UINPZENKUPZLQH-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC[S@]1=O ZINC000596195121 567614936 /nfs/dbraw/zinc/61/49/36/567614936.db2.gz NIYSIRIEWLCENI-RUZDIDTESA-N 0 0 388.873 3.162 10 5 GGBERN CCc1n[nH]c(C2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)n1 ZINC000596206671 567616129 /nfs/dbraw/zinc/61/61/29/567616129.db2.gz HKNZETBAEFWHJD-UHFFFAOYSA-N 0 0 380.246 3.422 10 5 GGBERN CN(C)c1cnn(C2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)c1 ZINC000596244959 567618692 /nfs/dbraw/zinc/61/86/92/567618692.db2.gz VHLZYBZDZFBHQS-UHFFFAOYSA-N 0 0 394.273 3.461 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1OCCO[C@@H]1CC1(F)F ZINC000596269534 567619801 /nfs/dbraw/zinc/61/98/01/567619801.db2.gz DMCSTTMJGRGLJN-SNVBAGLBSA-N 0 0 385.104 3.002 10 5 GGBERN Cc1c(Br)c(N(C)[C@@H](CO)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596311029 567622990 /nfs/dbraw/zinc/62/29/90/567622990.db2.gz BKIPNZYMPULPPQ-CYBMUJFWSA-N 0 0 380.242 3.101 10 5 GGBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000596368615 567628463 /nfs/dbraw/zinc/62/84/63/567628463.db2.gz LKRIWNFPRXDAMG-QJPTWQEYSA-N 0 0 388.262 3.039 10 5 GGBERN COCCN([C@H]1CC[C@H](C)C1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000480776897 567630047 /nfs/dbraw/zinc/63/00/47/567630047.db2.gz HABZIHRMTJNBDN-AAEUAGOBSA-N 0 0 390.889 3.382 10 5 GGBERN COCCN([C@@H]1CC[C@@H](C)C1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000480776899 567630097 /nfs/dbraw/zinc/63/00/97/567630097.db2.gz HABZIHRMTJNBDN-DGCLKSJQSA-N 0 0 390.889 3.382 10 5 GGBERN COCCN([C@H]1CC[C@@H](C)C1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000480776902 567630203 /nfs/dbraw/zinc/63/02/03/567630203.db2.gz HABZIHRMTJNBDN-YPMHNXCESA-N 0 0 390.889 3.382 10 5 GGBERN COC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000530949096 567633187 /nfs/dbraw/zinc/63/31/87/567633187.db2.gz BHTLTVBTJSBREN-UHFFFAOYSA-N 0 0 393.193 3.074 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000596430996 567633440 /nfs/dbraw/zinc/63/34/40/567633440.db2.gz LFAOEGJLYIUESJ-NSHDSACASA-N 0 0 384.483 3.255 10 5 GGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1cscn1 ZINC000596434363 567633446 /nfs/dbraw/zinc/63/34/46/567633446.db2.gz XLIAYVAMTRQSEZ-LLVKDONJSA-N 0 0 382.467 3.009 10 5 GGBERN Cc1cc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000596465706 567634504 /nfs/dbraw/zinc/63/45/04/567634504.db2.gz MWATWWSULISAKG-VHSXEESVSA-N 0 0 377.260 3.043 10 5 GGBERN Cc1c(NC(=O)N[C@@H](C)c2ccn(C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000459550546 567635342 /nfs/dbraw/zinc/63/53/42/567635342.db2.gz ULJLNHQBKIWGSR-VIFPVBQESA-N 0 0 382.218 3.282 10 5 GGBERN CC(C)(CO)[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000459549625 567635411 /nfs/dbraw/zinc/63/54/11/567635411.db2.gz FNHHDCVPHFLDTA-CYBMUJFWSA-N 0 0 386.246 3.276 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2C[C@H](c3ccccc3)CO2)s1 ZINC000596473534 567636189 /nfs/dbraw/zinc/63/61/89/567636189.db2.gz IWPJANHRSLFGCV-STQMWFEESA-N 0 0 382.463 3.044 10 5 GGBERN CCS(=O)(=O)C1(CNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000596521262 567637026 /nfs/dbraw/zinc/63/70/26/567637026.db2.gz OECPCIJRNRDTOM-UHFFFAOYSA-N 0 0 377.260 3.045 10 5 GGBERN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H](CC(F)(F)F)O1 ZINC000596553091 567638852 /nfs/dbraw/zinc/63/88/52/567638852.db2.gz FAKZMPAOQPCRAH-CBAPKCEASA-N 0 0 384.152 3.298 10 5 GGBERN Cc1ccc2c(c1Br)CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)C2 ZINC000596549037 567638941 /nfs/dbraw/zinc/63/89/41/567638941.db2.gz XGZBOCIGZSALBL-UHFFFAOYSA-N 0 0 378.226 3.260 10 5 GGBERN COC(=O)c1cnc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000596568924 567641082 /nfs/dbraw/zinc/64/10/82/567641082.db2.gz GAONNZKDBFMNIB-VIFPVBQESA-N 0 0 382.829 3.270 10 5 GGBERN C[C@@]1(C(F)F)CN(c2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000596573638 567641305 /nfs/dbraw/zinc/64/13/05/567641305.db2.gz LFYWHVIBWIGASG-LBPRGKRZSA-N 0 0 398.147 3.060 10 5 GGBERN COC(=O)c1c(Cl)c(N2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596572998 567641329 /nfs/dbraw/zinc/64/13/29/567641329.db2.gz RMRFOYPSVKFTHJ-AYVTZFPOSA-N 0 0 378.759 3.284 10 5 GGBERN Cc1c(Br)c(N2C[C@]34COC[C@@]3(C2)CCCC4)ncc1[N+](=O)[O-] ZINC000596567804 567641442 /nfs/dbraw/zinc/64/14/42/567641442.db2.gz PKVXFFACTSBEPO-IYBDPMFKSA-N 0 0 382.258 3.458 10 5 GGBERN COC(=O)c1sc2c(c1Br)CN(c1ncc([N+](=O)[O-])s1)C2 ZINC000596566827 567641725 /nfs/dbraw/zinc/64/17/25/567641725.db2.gz MZDKMLHEMOEBBQ-UHFFFAOYSA-N 0 0 390.240 3.182 10 5 GGBERN CC1(CO)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000459623320 567644211 /nfs/dbraw/zinc/64/42/11/567644211.db2.gz QUWZQWDBNIQJBZ-UHFFFAOYSA-N 0 0 381.226 3.432 10 5 GGBERN Cc1c(NC(=O)N2C[C@@H](C)[C@](C)(CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596889843 567662154 /nfs/dbraw/zinc/66/21/54/567662154.db2.gz YGPBUYOLBRDEFG-PSLIRLAXSA-N 0 0 386.246 3.148 10 5 GGBERN CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000596888745 567662162 /nfs/dbraw/zinc/66/21/62/567662162.db2.gz QZFSLSWZEFUSHO-GFCCVEGCSA-N 0 0 385.262 3.272 10 5 GGBERN Cc1c(NC(=O)N2CC[C@H]3COC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000596887458 567662282 /nfs/dbraw/zinc/66/22/82/567662282.db2.gz CXLUFMNXRRLAFG-WDEREUQCSA-N 0 0 384.230 3.166 10 5 GGBERN C[C@@]1(C2CC2)CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000596899342 567662391 /nfs/dbraw/zinc/66/23/91/567662391.db2.gz FSNHAXFGSRTLGB-HNNXBMFYSA-N 0 0 384.230 3.390 10 5 GGBERN Cc1c(NC(=O)N2CC[C@H]3COC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000596887457 567662558 /nfs/dbraw/zinc/66/25/58/567662558.db2.gz CXLUFMNXRRLAFG-QWRGUYRKSA-N 0 0 384.230 3.166 10 5 GGBERN C[C@@]1(C(F)F)CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000596900278 567663689 /nfs/dbraw/zinc/66/36/89/567663689.db2.gz LUQJLRBPICZCLR-ZDUSSCGKSA-N 0 0 394.172 3.245 10 5 GGBERN CCCN(C(=O)Cc1cc[nH]c(=O)c1Br)c1cccc([N+](=O)[O-])c1 ZINC000441435386 567663867 /nfs/dbraw/zinc/66/38/67/567663867.db2.gz DWYOEQJLLMSNSN-UHFFFAOYSA-N 0 0 394.225 3.444 10 5 GGBERN COc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1OC ZINC000553569361 567667220 /nfs/dbraw/zinc/66/72/20/567667220.db2.gz CHKDHVNIUAONBI-JTQLQIEISA-N 0 0 386.451 3.021 10 5 GGBERN CN(C(=O)[C@@H]1CCc2cc(Br)ccc21)c1ccc([N+](=O)[O-])nc1 ZINC000572843925 567669541 /nfs/dbraw/zinc/66/95/41/567669541.db2.gz UEHMISZHQHPGBD-CQSZACIVSA-N 0 0 376.210 3.445 10 5 GGBERN O=C(Nc1cc(Br)ccc1-n1cccn1)c1ccc([N+](=O)[O-])cn1 ZINC000531628419 567670342 /nfs/dbraw/zinc/67/03/42/567670342.db2.gz CTQPOHXDANRPJZ-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCc2cc(Br)cc(F)c21 ZINC000531627160 567670567 /nfs/dbraw/zinc/67/05/67/567670567.db2.gz QFDIBMASQSGTPI-UHFFFAOYSA-N 0 0 380.173 3.484 10 5 GGBERN C[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H](C(F)(F)F)O1 ZINC000597097237 567680559 /nfs/dbraw/zinc/68/05/59/567680559.db2.gz FHFLOXSJMJUOGY-QUBYGPBYSA-N 0 0 382.726 3.014 10 5 GGBERN Nc1c(NC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597102343 567680786 /nfs/dbraw/zinc/68/07/86/567680786.db2.gz XFKSYMOLVBYDQV-MEBBXXQBSA-N 0 0 386.861 3.007 10 5 GGBERN Cc1c(CNC(=O)C(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000481476755 567681173 /nfs/dbraw/zinc/68/11/73/567681173.db2.gz MWRLRGKEKFYGOX-UHFFFAOYSA-N 0 0 377.194 3.165 10 5 GGBERN Nc1c(NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597102337 567681340 /nfs/dbraw/zinc/68/13/40/567681340.db2.gz XFKSYMOLVBYDQV-BMIGLBTASA-N 0 0 386.861 3.007 10 5 GGBERN C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H](C(F)(F)F)O1 ZINC000597097235 567681352 /nfs/dbraw/zinc/68/13/52/567681352.db2.gz FHFLOXSJMJUOGY-LHLIQPBNSA-N 0 0 382.726 3.014 10 5 GGBERN O=[N+]([O-])c1ccc(OC2CN(Cc3c(F)cncc3Br)C2)cc1 ZINC000597145953 567685172 /nfs/dbraw/zinc/68/51/72/567685172.db2.gz LMJIUPXQZHMCBS-UHFFFAOYSA-N 0 0 382.189 3.155 10 5 GGBERN CCOc1ccc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000507557614 567686285 /nfs/dbraw/zinc/68/62/85/567686285.db2.gz XNQHECONRZAZPQ-LLVKDONJSA-N 0 0 375.328 3.483 10 5 GGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H](c1nccs1)C(F)(F)F ZINC000507604942 567690478 /nfs/dbraw/zinc/69/04/78/567690478.db2.gz WFBRPUKMWJPOFG-NSHDSACASA-N 0 0 381.282 3.292 10 5 GGBERN COc1ccc(Br)cc1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460508498 567691686 /nfs/dbraw/zinc/69/16/86/567691686.db2.gz OWJNFJYAZSOCCB-UHFFFAOYSA-N 0 0 393.237 3.267 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)n1 ZINC000553907640 567698335 /nfs/dbraw/zinc/69/83/35/567698335.db2.gz NUFVAWLMXKDFNQ-ZDUSSCGKSA-N 0 0 380.857 3.471 10 5 GGBERN O=C(Cc1ccc(Br)cc1F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000597480612 567701673 /nfs/dbraw/zinc/70/16/73/567701673.db2.gz ZNYIVBOUGUBWLT-UHFFFAOYSA-N 0 0 394.200 3.019 10 5 GGBERN Cc1c(NC(=O)CO[C@@H](C)c2nccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000553997986 567704911 /nfs/dbraw/zinc/70/49/11/567704911.db2.gz JBAKRVFTAGSJDC-JTQLQIEISA-N 0 0 397.229 3.116 10 5 GGBERN O=C(NCCC1(F)CCC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000554065709 567707340 /nfs/dbraw/zinc/70/73/40/567707340.db2.gz CTTWBFXXUMGSOK-UHFFFAOYSA-N 0 0 392.168 3.212 10 5 GGBERN CC(=O)N[C@H](CCC(C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000597632158 567708696 /nfs/dbraw/zinc/70/86/96/567708696.db2.gz QIBCAAOJMQBNCP-CQSZACIVSA-N 0 0 386.246 3.237 10 5 GGBERN CCON1CCC(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000597633322 567708909 /nfs/dbraw/zinc/70/89/09/567708909.db2.gz WHJSFOHMDKXESY-UHFFFAOYSA-N 0 0 386.246 3.349 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(CC(F)(F)F)C1 ZINC000597657453 567710140 /nfs/dbraw/zinc/71/01/40/567710140.db2.gz TWHFEBKYYCNGJB-NSHDSACASA-N 0 0 379.766 3.313 10 5 GGBERN O=C(NCC1CSC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000597745621 567715170 /nfs/dbraw/zinc/71/51/70/567715170.db2.gz IYXILWJNZGTPND-UHFFFAOYSA-N 0 0 387.248 3.180 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000597730129 567715670 /nfs/dbraw/zinc/71/56/70/567715670.db2.gz XXCPAEDQVVRMHK-CYBMUJFWSA-N 0 0 379.214 3.366 10 5 GGBERN NS(=O)(=O)c1c(N[C@@H]2CCCc3sc(Cl)cc32)cccc1[N+](=O)[O-] ZINC000573512885 567719541 /nfs/dbraw/zinc/71/95/41/567719541.db2.gz QIBXBYZRDOGCSI-SECBINFHSA-N 0 0 387.870 3.447 10 5 GGBERN O=C(NCc1ccc2cc[nH]c2n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000461102094 567720113 /nfs/dbraw/zinc/72/01/13/567720113.db2.gz UVWHUWTYEHXDOQ-UHFFFAOYSA-N 0 0 375.182 3.164 10 5 GGBERN C[C@@]1(C2CC2)CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CCO1 ZINC000597926181 567725782 /nfs/dbraw/zinc/72/57/82/567725782.db2.gz RGSHXYNJZIYVIT-ZDUSSCGKSA-N 0 0 375.244 3.060 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597924607 567726058 /nfs/dbraw/zinc/72/60/58/567726058.db2.gz QRCSMDKJVOWYGD-INIZCTEOSA-N 0 0 383.242 3.307 10 5 GGBERN Cc1cc(Br)ccc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000554471423 567729323 /nfs/dbraw/zinc/72/93/23/567729323.db2.gz DRFZDUUQXMTETA-UHFFFAOYSA-N 0 0 399.266 3.486 10 5 GGBERN Cc1ccncc1CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000597977283 567729958 /nfs/dbraw/zinc/72/99/58/567729958.db2.gz FSFAHPIERGMCAU-UHFFFAOYSA-N 0 0 378.226 3.342 10 5 GGBERN C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000554515238 567732246 /nfs/dbraw/zinc/73/22/46/567732246.db2.gz PODUHBHRLQXJSJ-UWVGGRQHSA-N 0 0 379.214 3.128 10 5 GGBERN CC(C)OC[C@@H](O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000508167606 567734711 /nfs/dbraw/zinc/73/47/11/567734711.db2.gz YMIXMBHRVBVWKA-LLVKDONJSA-N 0 0 385.214 3.070 10 5 GGBERN CC(C)(C)NC(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000508159602 567734749 /nfs/dbraw/zinc/73/47/49/567734749.db2.gz GJTICHCEJLCICH-UHFFFAOYSA-N 0 0 382.214 3.199 10 5 GGBERN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000573772196 567735003 /nfs/dbraw/zinc/73/50/03/567735003.db2.gz SKLOAXOHWQDUHK-AULYBMBSSA-N 0 0 376.210 3.428 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CC3(CCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598055373 567736250 /nfs/dbraw/zinc/73/62/50/567736250.db2.gz RSSCEOYHGRCZHZ-JTQLQIEISA-N 0 0 383.242 3.449 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000598055349 567736334 /nfs/dbraw/zinc/73/63/34/567736334.db2.gz RDRNZAAZNJCCHF-JTQLQIEISA-N 0 0 383.242 3.449 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CC3(CCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598055374 567736348 /nfs/dbraw/zinc/73/63/48/567736348.db2.gz RSSCEOYHGRCZHZ-SNVBAGLBSA-N 0 0 383.242 3.449 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000443197526 567738660 /nfs/dbraw/zinc/73/86/60/567738660.db2.gz LNDZXGWTPKGACR-ZDUSSCGKSA-N 0 0 378.303 3.158 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000598187029 567744052 /nfs/dbraw/zinc/74/40/52/567744052.db2.gz OQXMVSUSJBYPNB-INIZCTEOSA-N 0 0 383.242 3.043 10 5 GGBERN Cc1n[nH]c(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000598195639 567746394 /nfs/dbraw/zinc/74/63/94/567746394.db2.gz QEFXAMQRUJVMHI-LLVKDONJSA-N 0 0 397.254 3.107 10 5 GGBERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533006798 567747192 /nfs/dbraw/zinc/74/71/92/567747192.db2.gz GSHQWAHFWLIJAC-ZJUUUORDSA-N 0 0 377.260 3.166 10 5 GGBERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533006795 567747344 /nfs/dbraw/zinc/74/73/44/567747344.db2.gz GSHQWAHFWLIJAC-NXEZZACHSA-N 0 0 377.260 3.166 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccoc1Br ZINC000554783242 567749191 /nfs/dbraw/zinc/74/91/91/567749191.db2.gz XFSZPDIDUOXSPE-UHFFFAOYSA-N 0 0 378.182 3.404 10 5 GGBERN CC(C)Nc1cc(Br)ccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598235274 567751300 /nfs/dbraw/zinc/75/13/00/567751300.db2.gz RZSYGCSRUWPHQX-UHFFFAOYSA-N 0 0 382.218 3.013 10 5 GGBERN Cc1n[nH]c(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000598299076 567754966 /nfs/dbraw/zinc/75/49/66/567754966.db2.gz DLFOWPKLYNVOAN-UHFFFAOYSA-N 0 0 376.257 3.410 10 5 GGBERN Cn1ncc(C2CCC2)c1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000598315382 567755745 /nfs/dbraw/zinc/75/57/45/567755745.db2.gz BKIFPQGXPNCFRV-UHFFFAOYSA-N 0 0 399.270 3.350 10 5 GGBERN Cn1ncc(C2CCC2)c1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598315959 567755751 /nfs/dbraw/zinc/75/57/51/567755751.db2.gz IFKLSIGWYXQDTC-UHFFFAOYSA-N 0 0 393.241 3.288 10 5 GGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598325228 567756107 /nfs/dbraw/zinc/75/61/07/567756107.db2.gz XJQIKXJBVYGQHT-RDDDGLTNSA-N 0 0 397.147 3.149 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000574108804 567756397 /nfs/dbraw/zinc/75/63/97/567756397.db2.gz XFKCRJGRFPHCAJ-OAHLLOKOSA-N 0 0 397.200 3.268 10 5 GGBERN C[C@H]1COC2(CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598351704 567758561 /nfs/dbraw/zinc/75/85/61/567758561.db2.gz MLEJLDQOFXKKHB-LBPRGKRZSA-N 0 0 397.269 3.460 10 5 GGBERN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533256843 567760569 /nfs/dbraw/zinc/76/05/69/567760569.db2.gz UHAPXLYXEOEHBB-UHFFFAOYSA-N 0 0 385.207 3.279 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000443496474 567762737 /nfs/dbraw/zinc/76/27/37/567762737.db2.gz ZGOKCXVTFRFTMC-BLLLJJGKSA-N 0 0 390.889 3.166 10 5 GGBERN O=C(NCC1(O)CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000598423710 567764707 /nfs/dbraw/zinc/76/47/07/567764707.db2.gz TWFDCVWFYDJAEA-UHFFFAOYSA-N 0 0 393.184 3.028 10 5 GGBERN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000598452551 567768682 /nfs/dbraw/zinc/76/86/82/567768682.db2.gz LTIAYBPTHXZLHS-AWEZNQCLSA-N 0 0 393.241 3.138 10 5 GGBERN O=C(N[C@H]1CCCCc2cc(Br)ccc21)c1c[nH]nc1[N+](=O)[O-] ZINC000598452119 567768976 /nfs/dbraw/zinc/76/89/76/567768976.db2.gz HJXVGJJBHALQSJ-ZDUSSCGKSA-N 0 0 379.214 3.278 10 5 GGBERN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000598452552 567769047 /nfs/dbraw/zinc/76/90/47/567769047.db2.gz LTIAYBPTHXZLHS-CQSZACIVSA-N 0 0 393.241 3.138 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000533465879 567769896 /nfs/dbraw/zinc/76/98/96/567769896.db2.gz CQCBNLUQVGOHRG-MRVPVSSYSA-N 0 0 388.314 3.470 10 5 GGBERN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000598453161 567770343 /nfs/dbraw/zinc/77/03/43/567770343.db2.gz POAVVFVCFGGWSS-OAHLLOKOSA-N 0 0 393.241 3.138 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1 ZINC000598509393 567772384 /nfs/dbraw/zinc/77/23/84/567772384.db2.gz UASYVKTUQLJSNN-VHSXEESVSA-N 0 0 378.372 3.499 10 5 GGBERN CSc1cccc(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598506346 567772547 /nfs/dbraw/zinc/77/25/47/567772547.db2.gz FDJIAXLGBOQSEJ-VHSXEESVSA-N 0 0 378.372 3.499 10 5 GGBERN C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000598510828 567772783 /nfs/dbraw/zinc/77/27/83/567772783.db2.gz XQCQVWUGBSKPGX-ZYHUDNBSSA-N 0 0 378.372 3.255 10 5 GGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598510858 567772851 /nfs/dbraw/zinc/77/28/51/567772851.db2.gz XSJJDLYRUZEAEX-PWSUYJOCSA-N 0 0 378.372 3.255 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598510965 567772985 /nfs/dbraw/zinc/77/29/85/567772985.db2.gz MXNOWTUQBQRIHM-LLVKDONJSA-N 0 0 397.147 3.151 10 5 GGBERN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](CC(F)(F)F)O1 ZINC000598507034 567773021 /nfs/dbraw/zinc/77/30/21/567773021.db2.gz JLONXHNIIXKOEN-SKDRFNHKSA-N 0 0 380.750 3.359 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2SCCc3ccccc32)c1 ZINC000443761372 567774836 /nfs/dbraw/zinc/77/48/36/567774836.db2.gz YJMZBOINTPUPSE-KRWDZBQOSA-N 0 0 378.475 3.045 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000443759063 567775045 /nfs/dbraw/zinc/77/50/45/567775045.db2.gz NMYQIGVFFZNESU-DGCLKSJQSA-N 0 0 380.388 3.383 10 5 GGBERN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000598566805 567777847 /nfs/dbraw/zinc/77/78/47/567777847.db2.gz ZYZRRELIFANDEW-CLAHSXSESA-N 0 0 393.184 3.242 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000598574373 567777895 /nfs/dbraw/zinc/77/78/95/567777895.db2.gz UHLDMPAZAHVDCV-CQSZACIVSA-N 0 0 393.184 3.162 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCO[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598573168 567778058 /nfs/dbraw/zinc/77/80/58/567778058.db2.gz PTNIIRJOESHZDY-AWEZNQCLSA-N 0 0 393.184 3.162 10 5 GGBERN Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)c(C)c1[N+](=O)[O-] ZINC000598606392 567778843 /nfs/dbraw/zinc/77/88/43/567778843.db2.gz FTBOVDRXSGRXCC-CQSZACIVSA-N 0 0 382.463 3.035 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000598628990 567779756 /nfs/dbraw/zinc/77/97/56/567779756.db2.gz WTRWGTSUJGUOQM-CQSZACIVSA-N 0 0 378.397 3.096 10 5 GGBERN Cc1ccc(S(=O)(=O)NC2CCC(OC(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000598621048 567780591 /nfs/dbraw/zinc/78/05/91/567780591.db2.gz TWOJVQQMHYBIIG-UHFFFAOYSA-N 0 0 378.397 3.040 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000598655628 567780967 /nfs/dbraw/zinc/78/09/67/567780967.db2.gz XIBHZFDEZGHPDB-MWLCHTKSSA-N 0 0 386.246 3.148 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(NCC[C@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000598639105 567781521 /nfs/dbraw/zinc/78/15/21/567781521.db2.gz QEUJFIFUVJZTIP-NSHDSACASA-N 0 0 377.413 3.083 10 5 GGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)c1 ZINC000555413746 567781795 /nfs/dbraw/zinc/78/17/95/567781795.db2.gz FUOKBIJGOYCVMK-LLVKDONJSA-N 0 0 395.384 3.250 10 5 GGBERN CCc1nn(C)c(N2CCc3ccc(F)c(Br)c3C2)c1[N+](=O)[O-] ZINC000598938792 567798762 /nfs/dbraw/zinc/79/87/62/567798762.db2.gz GRVKKNBZHLJFLV-UHFFFAOYSA-N 0 0 383.221 3.355 10 5 GGBERN Nc1cc(N2CCc3ccc(F)c(Br)c3C2)cc(CO)c1[N+](=O)[O-] ZINC000598941109 567798896 /nfs/dbraw/zinc/79/88/96/567798896.db2.gz UPLQEOAJZSYABB-UHFFFAOYSA-N 0 0 396.216 3.134 10 5 GGBERN Cn1c(C(=O)N2CCc3ccc(F)c(Br)c3C2)ccc1[N+](=O)[O-] ZINC000598948156 567800050 /nfs/dbraw/zinc/80/00/50/567800050.db2.gz PZYZCZHPURAQIE-UHFFFAOYSA-N 0 0 382.189 3.033 10 5 GGBERN O=C(NC[C@@H]1CCc2cccnc21)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598951906 567800732 /nfs/dbraw/zinc/80/07/32/567800732.db2.gz ZGTNFHUYMUYALC-NSHDSACASA-N 0 0 376.210 3.212 10 5 GGBERN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccc(Br)cc1 ZINC000534134107 567801283 /nfs/dbraw/zinc/80/12/83/567801283.db2.gz BDMAKVWKRZVDIG-INIZCTEOSA-N 0 0 392.253 3.356 10 5 GGBERN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC000534203267 567803218 /nfs/dbraw/zinc/80/32/18/567803218.db2.gz NLNJWAWLFHMUKX-LLVKDONJSA-N 0 0 391.221 3.287 10 5 GGBERN O=[N+]([O-])c1cnc(NC[C@@H](n2cccn2)C(F)(F)F)c(Br)c1 ZINC000599117745 567806204 /nfs/dbraw/zinc/80/62/04/567806204.db2.gz PJRWDXSSRJTSIG-SECBINFHSA-N 0 0 380.124 3.164 10 5 GGBERN Cn1ncc(C(F)(F)F)c1CNc1ncc([N+](=O)[O-])cc1Br ZINC000599124336 567806314 /nfs/dbraw/zinc/80/63/14/567806314.db2.gz OBYKECJLURFYOA-UHFFFAOYSA-N 0 0 380.124 3.117 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)s1 ZINC000599123917 567806329 /nfs/dbraw/zinc/80/63/29/567806329.db2.gz UXGWCFHRIKWKMJ-ZLKJLUDKSA-N 0 0 384.866 3.463 10 5 GGBERN COc1cc(Br)ccc1[C@H]1CCCN1c1c([N+](=O)[O-])ncn1C ZINC000599145396 567807095 /nfs/dbraw/zinc/80/70/95/567807095.db2.gz UNPUNILHCKBTAO-GFCCVEGCSA-N 0 0 381.230 3.441 10 5 GGBERN O=[N+]([O-])c1cncc(I)c1N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599134245 567807112 /nfs/dbraw/zinc/80/71/12/567807112.db2.gz HLZGPTZHXNVRFU-BDAKNGLRSA-N 0 0 391.234 3.069 10 5 GGBERN Cc1c(Br)c(NC[C@H]2c3ccccc3C(=O)N2C)ncc1[N+](=O)[O-] ZINC000599162989 567808040 /nfs/dbraw/zinc/80/80/40/567808040.db2.gz CMKBSOHOYNCVSU-ZDUSSCGKSA-N 0 0 391.225 3.300 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000599167682 567808469 /nfs/dbraw/zinc/80/84/69/567808469.db2.gz WHCLXIGWJYQOBG-JCURWCKSSA-N 0 0 378.837 3.402 10 5 GGBERN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000599164949 567808504 /nfs/dbraw/zinc/80/85/04/567808504.db2.gz MOERDGNREOFPBK-MFKMUULPSA-N 0 0 387.230 3.128 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCC12CCC2 ZINC000444609523 567808706 /nfs/dbraw/zinc/80/87/06/567808706.db2.gz OBFHMWRQLRDOKJ-UHFFFAOYSA-N 0 0 386.189 3.358 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCO[C@H](CCF)C1 ZINC000599167667 567808695 /nfs/dbraw/zinc/80/86/95/567808695.db2.gz NPVIQNLUXRAWDG-LLVKDONJSA-N 0 0 384.205 3.470 10 5 GGBERN CS(=O)(=O)c1ccc(N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c([N+](=O)[O-])c1 ZINC000599167496 567808730 /nfs/dbraw/zinc/80/87/30/567808730.db2.gz UZOOFFZXSPFMQD-OAUYIBNBSA-N 0 0 378.837 3.402 10 5 GGBERN Cc1cnc(CCN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000534368293 567808986 /nfs/dbraw/zinc/80/89/86/567808986.db2.gz PIHBDHSHSUPKLQ-UHFFFAOYSA-N 0 0 384.255 3.437 10 5 GGBERN CNS(=O)(=O)c1ccc(NCC2(C(F)(F)F)CCCC2)c([N+](=O)[O-])c1 ZINC000599184557 567809281 /nfs/dbraw/zinc/80/92/81/567809281.db2.gz HJLQVVIAPAVZQQ-UHFFFAOYSA-N 0 0 381.376 3.038 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@H]2CCCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000599174613 567809355 /nfs/dbraw/zinc/80/93/55/567809355.db2.gz VONYFGVNZOBAOT-AWEZNQCLSA-N 0 0 381.841 3.385 10 5 GGBERN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599211120 567809956 /nfs/dbraw/zinc/80/99/56/567809956.db2.gz QSRWNROKRXEQIR-MRVPVSSYSA-N 0 0 393.252 3.017 10 5 GGBERN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599224482 567811063 /nfs/dbraw/zinc/81/10/63/567811063.db2.gz IJPWQPHFTCTTGL-MRVPVSSYSA-N 0 0 393.252 3.017 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012846603 570265206 /nfs/dbraw/zinc/26/52/06/570265206.db2.gz DCYOIZABNOOFMO-CABCVRRESA-N 0 0 396.447 3.352 10 5 GGBERN O=C(COc1cc(F)ccc1[N+](=O)[O-])NCCc1ccccc1OC(F)F ZINC000013987673 570266683 /nfs/dbraw/zinc/26/66/83/570266683.db2.gz PIFGPYBPHAUSJL-UHFFFAOYSA-N 0 0 384.310 3.073 10 5 GGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cscn2)cc1 ZINC000015835188 570267854 /nfs/dbraw/zinc/26/78/54/570267854.db2.gz YQUFITGWYZKRQB-UHFFFAOYSA-N 0 0 398.444 3.472 10 5 GGBERN Cc1c(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000012876479 570275153 /nfs/dbraw/zinc/27/51/53/570275153.db2.gz ZIVQDMKJDJGTNS-UHFFFAOYSA-N 0 0 396.447 3.192 10 5 GGBERN CCN(Cc1cccc(F)c1)C(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1 ZINC000024639508 570276255 /nfs/dbraw/zinc/27/62/55/570276255.db2.gz GMNHLOYLCKSVIN-UHFFFAOYSA-N 0 0 375.400 3.455 10 5 GGBERN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)c1c[nH]c2ccccc21 ZINC000024886259 570324971 /nfs/dbraw/zinc/32/49/71/570324971.db2.gz DRKMULVEUFNSQR-JTQLQIEISA-N 0 0 382.328 3.233 10 5 GGBERN COC(=O)c1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1 ZINC000000783605 570326214 /nfs/dbraw/zinc/32/62/14/570326214.db2.gz KDWCZHGKFODXFA-OVCLIPMQSA-N 0 0 386.747 3.379 10 5 GGBERN O=C(C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)N1CCCCCC1 ZINC000023853990 570333211 /nfs/dbraw/zinc/33/32/11/570333211.db2.gz VSXGYMCNHGXPSH-UHFFFAOYSA-N 0 0 385.468 3.017 10 5 GGBERN Cc1cccc(OCCNC(=O)Cn2cnc3cc4ccccc4cc3c2=O)c1 ZINC000024324740 570382100 /nfs/dbraw/zinc/38/21/00/570382100.db2.gz QZQLDHRQBRVJDZ-UHFFFAOYSA-N 0 0 387.439 3.053 10 5 GGBERN CCn1c(=O)cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc21 ZINC000005067394 570410249 /nfs/dbraw/zinc/41/02/49/570410249.db2.gz JCQVHFBWVWWHRT-UHFFFAOYSA-N 0 0 381.388 3.256 10 5 GGBERN CC[C@H](C)N(CC(=O)Nc1ncc(C)s1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000035746188 570440113 /nfs/dbraw/zinc/44/01/13/570440113.db2.gz RSVQTJHJNIALKB-NSHDSACASA-N 0 0 376.438 3.239 10 5 GGBERN Cc1cc(C)cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 ZINC000089585498 570495163 /nfs/dbraw/zinc/49/51/63/570495163.db2.gz RMIRAGHFGWTKRH-UHFFFAOYSA-N 0 0 392.433 3.025 10 5 GGBERN COc1ccccc1-c1noc([C@H](C)Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)n1 ZINC000072307647 570524764 /nfs/dbraw/zinc/52/47/64/570524764.db2.gz FFLYHRBVJSQVST-JTQLQIEISA-N 0 0 397.395 3.191 10 5 GGBERN CCOC(=O)[C@@H](C)N(c1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536554691 570665204 /nfs/dbraw/zinc/66/52/04/570665204.db2.gz RGGQNDZNZRZEPE-CQSZACIVSA-N 0 0 392.433 3.050 10 5 GGBERN COCCNc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1[N+](=O)[O-] ZINC000017574365 570705665 /nfs/dbraw/zinc/70/56/65/570705665.db2.gz VVHRFKPYENMOET-UHFFFAOYSA-N 0 0 398.423 3.231 10 5 GGBERN COc1cc(C(=O)OCCOc2ccc(C)cc2)c([N+](=O)[O-])c(OC)c1OC ZINC000025202392 570740468 /nfs/dbraw/zinc/74/04/68/570740468.db2.gz ZCQQUMZBIDMFLE-UHFFFAOYSA-N 0 0 391.376 3.165 10 5 GGBERN CCOC(=O)c1cc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000129275227 570757256 /nfs/dbraw/zinc/75/72/56/570757256.db2.gz ZDSHFQGGQPPOLA-FZKQIMNGSA-N 0 0 392.358 3.362 10 5 GGBERN O=C(Nc1ccccc1C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032722129 570768700 /nfs/dbraw/zinc/76/87/00/570768700.db2.gz NUZONUSIFONUBI-UHFFFAOYSA-N 0 0 397.387 3.248 10 5 GGBERN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nnc(-c2ccccc2)o1 ZINC000032739606 570785440 /nfs/dbraw/zinc/78/54/40/570785440.db2.gz LVIKDQCEIQLQNL-SNVBAGLBSA-N 0 0 383.316 3.292 10 5 GGBERN COCCNc1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000032744693 570788091 /nfs/dbraw/zinc/78/80/91/570788091.db2.gz RDXUZJAPSQNAAO-GFCCVEGCSA-N 0 0 383.408 3.020 10 5 GGBERN COC1(c2nc(C3CC3)no2)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000583615927 570801012 /nfs/dbraw/zinc/80/10/12/570801012.db2.gz QHWFOXFITREQBV-UHFFFAOYSA-N 0 0 379.804 3.046 10 5 GGBERN CC(=O)N1CCC(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000032781078 570808745 /nfs/dbraw/zinc/80/87/45/570808745.db2.gz UMOWAUVEPQPQFS-UHFFFAOYSA-N 0 0 391.811 3.249 10 5 GGBERN O=C(COc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccco2)c1 ZINC000033101969 570809266 /nfs/dbraw/zinc/80/92/66/570809266.db2.gz QTIDFGMZTZLVSE-UHFFFAOYSA-N 0 0 395.371 3.135 10 5 GGBERN O=C(Cn1cnc2sccc2c1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000031640966 570818712 /nfs/dbraw/zinc/81/87/12/570818712.db2.gz JPPQCJKKIGONMH-UHFFFAOYSA-N 0 0 398.322 3.024 10 5 GGBERN CC(=O)c1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000101629908 570827263 /nfs/dbraw/zinc/82/72/63/570827263.db2.gz NJCHBDDFIWOWBA-HNNXBMFYSA-N 0 0 387.779 3.195 10 5 GGBERN CC(=O)Nc1ccc(Nc2ccc(N3C(=O)C[C@H](C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000004684264 570830179 /nfs/dbraw/zinc/83/01/79/570830179.db2.gz NAOHFGXHMSJODP-NSHDSACASA-N 0 0 382.376 3.196 10 5 GGBERN O=C(CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000004684546 570830301 /nfs/dbraw/zinc/83/03/01/570830301.db2.gz DKVLGROESQIKKQ-UHFFFAOYSA-N 0 0 381.432 3.297 10 5 GGBERN COc1ccc(CCNc2ccc(N3C(=O)C[C@H](C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000101822777 570835874 /nfs/dbraw/zinc/83/58/74/570835874.db2.gz HAPPKEVIBKEIPT-ZDUSSCGKSA-N 0 0 383.404 3.157 10 5 GGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc2c(nc3sccn23)s1 ZINC000033179868 570839626 /nfs/dbraw/zinc/83/96/26/570839626.db2.gz IMOVAOLIGNAZOG-UHFFFAOYSA-N 0 0 387.446 3.361 10 5 GGBERN O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2nccn2-c2cccc(F)c2)c1 ZINC000012547681 570849376 /nfs/dbraw/zinc/84/93/76/570849376.db2.gz HLJUAJNFAGMGCL-MRXNPFEDSA-N 0 0 389.408 3.452 10 5 GGBERN CC1CCN(S(=O)(=O)c2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)CC1 ZINC000012557734 570860006 /nfs/dbraw/zinc/86/00/06/570860006.db2.gz DKOPYMVGOVPWJU-HNNXBMFYSA-N 0 0 381.498 3.394 10 5 GGBERN CCOc1ccccc1/C=C/C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015382063 570933053 /nfs/dbraw/zinc/93/30/53/570933053.db2.gz SWUQBHODRGCSKU-VAWYXSNFSA-N 0 0 381.432 3.356 10 5 GGBERN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000002501347 570968273 /nfs/dbraw/zinc/96/82/73/570968273.db2.gz JNMXHJIRISMECJ-INIZCTEOSA-N 0 0 398.437 3.179 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000012742840 570986919 /nfs/dbraw/zinc/98/69/19/570986919.db2.gz YTTFXTWXPLZSSB-LLVKDONJSA-N 0 0 382.376 3.046 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCN1CCCCCC1=O ZINC000045113489 570987404 /nfs/dbraw/zinc/98/74/04/570987404.db2.gz SRBACXBZEDSIBG-HNNXBMFYSA-N 0 0 376.457 3.090 10 5 GGBERN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012755540 571007074 /nfs/dbraw/zinc/00/70/74/571007074.db2.gz DHHYKCSEEVADKS-CQSZACIVSA-N 0 0 383.404 3.237 10 5 GGBERN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012755544 571007159 /nfs/dbraw/zinc/00/71/59/571007159.db2.gz DHHYKCSEEVADKS-AWEZNQCLSA-N 0 0 383.404 3.237 10 5 GGBERN CC(=O)N[C@H](CC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000012777393 571031039 /nfs/dbraw/zinc/03/10/39/571031039.db2.gz PDIVQFDDALUFCR-BLLLJJGKSA-N 0 0 375.450 3.443 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000012781021 571034722 /nfs/dbraw/zinc/03/47/22/571034722.db2.gz QDFPPOQZQGQZEH-ZDUSSCGKSA-N 0 0 392.415 3.084 10 5 GGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000054784363 1406825011 /nfs/dbraw/zinc/82/50/11/1406825011.db2.gz BYVRICWQBTVSGM-QGZVFWFLSA-N 0 0 388.399 3.359 10 5 GGBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1COc2ccccc2O1 ZINC000002621022 1398313217 /nfs/dbraw/zinc/31/32/17/1398313217.db2.gz IVHQSVOQSALMRX-MRXNPFEDSA-N 0 0 383.385 3.497 10 5 GGBERN Cn1cnnc1Sc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000002632725 1398315122 /nfs/dbraw/zinc/31/51/22/1398315122.db2.gz RVVNSHOGRUPOBG-JYRVWZFOSA-N 0 0 379.401 3.367 10 5 GGBERN Cc1c(C2=N/C(=C/c3coc4ccccc4c3=O)C(=O)O2)cccc1[N+](=O)[O-] ZINC000002942180 1398322017 /nfs/dbraw/zinc/32/20/17/1398322017.db2.gz NDVBCKSUANLBKR-OQLLNIDSSA-N 0 0 376.324 3.354 10 5 biogenic GGBERN O=C(NCCc1ccccc1Cl)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000002965648 1398322324 /nfs/dbraw/zinc/32/23/24/1398322324.db2.gz DWXIWPVOLPBKLK-UHFFFAOYSA-N 0 0 377.831 3.474 10 5 GGBERN CCOC(=O)CSc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000003019991 1398324172 /nfs/dbraw/zinc/32/41/72/1398324172.db2.gz VJGSAKUMAHZSPO-STQMWFEESA-N 0 0 380.466 3.368 10 5 GGBERN COC(=O)c1ccc(SCC(=O)NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003025078 1398324905 /nfs/dbraw/zinc/32/49/05/1398324905.db2.gz GONSOQUGBSCLMF-UHFFFAOYSA-N 0 0 394.836 3.443 10 5 GGBERN COC(=O)c1ccc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000003032000 1398325065 /nfs/dbraw/zinc/32/50/65/1398325065.db2.gz BBTRLXYJZWAPTM-SGMGOOAPSA-N 0 0 380.466 3.414 10 5 GGBERN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SCC(=O)NC1CC1 ZINC000003220995 1398328455 /nfs/dbraw/zinc/32/84/55/1398328455.db2.gz BNNJZZYZQQFTOQ-UHFFFAOYSA-N 0 0 398.444 3.313 10 5 GGBERN Cc1c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cccc1[N+](=O)[O-] ZINC000003221770 1398328625 /nfs/dbraw/zinc/32/86/25/1398328625.db2.gz VHGGKWOMGCQIQF-UHFFFAOYSA-N 0 0 397.412 3.204 10 5 GGBERN Cc1nnc2n1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)c1ccc(C)cc1)S2 ZINC000003270756 1398331335 /nfs/dbraw/zinc/33/13/35/1398331335.db2.gz BQYJONJSXAWBKD-AEFFLSMTSA-N 0 0 395.444 3.445 10 5 GGBERN COc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000003325195 1398335077 /nfs/dbraw/zinc/33/50/77/1398335077.db2.gz IMZWQXDVTCGUJV-UHFFFAOYSA-N 0 0 398.371 3.441 10 5 GGBERN O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1 ZINC000004307345 1398391184 /nfs/dbraw/zinc/39/11/84/1398391184.db2.gz NRBUVNHPBHQYFE-UHFFFAOYSA-N 0 0 394.406 3.487 10 5 GGBERN O=C(/C=C\c1cc([N+](=O)[O-])ccc1OC(F)F)NCc1ccc2c(c1)OCO2 ZINC000006438278 1398552277 /nfs/dbraw/zinc/55/22/77/1398552277.db2.gz HPHAGFDACHQENU-KXFIGUGUSA-N 0 0 392.314 3.255 10 5 GGBERN O=C(/C=C/c1ccco1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000007596482 1398710810 /nfs/dbraw/zinc/71/08/10/1398710810.db2.gz FVPCXYFYDMNIGH-CMDGGOBGSA-N 0 0 380.360 3.442 10 5 GGBERN Cc1ccc([C@](O)(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC000012800241 1399058956 /nfs/dbraw/zinc/05/89/56/1399058956.db2.gz XKDXKCLLDKILCB-OAHLLOKOSA-N 0 0 387.314 3.458 10 5 GGBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012885713 1399064537 /nfs/dbraw/zinc/06/45/37/1399064537.db2.gz OELKVATVGOQBMC-UJGDBWEASA-N 0 0 379.416 3.485 10 5 GGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012906183 1399065217 /nfs/dbraw/zinc/06/52/17/1399065217.db2.gz MGLHFBYIEYMROF-JIIJFUIFSA-N 0 0 379.416 3.485 10 5 GGBERN Cc1c(NC(=O)Nc2cccc([N+](=O)[O-])c2C)c(=O)n(-c2ccccc2)n1C ZINC000020154037 1399343742 /nfs/dbraw/zinc/34/37/42/1399343742.db2.gz RHBXGFZOBQAASH-UHFFFAOYSA-N 0 0 381.392 3.345 10 5 GGBERN O=C(NCc1ccccn1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020177616 1399343762 /nfs/dbraw/zinc/34/37/62/1399343762.db2.gz XGSLINSUBSGRFG-UHFFFAOYSA-N 0 0 381.436 3.042 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1nnc(N2CCCC[C@H]2C)s1 ZINC000020464586 1399347333 /nfs/dbraw/zinc/34/73/33/1399347333.db2.gz JRAAVSMDQWENJQ-SNVBAGLBSA-N 0 0 392.441 3.478 10 5 GGBERN COc1cccc(OC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000020899670 1399356344 /nfs/dbraw/zinc/35/63/44/1399356344.db2.gz BLYONKXGSNZJDL-UHFFFAOYSA-N 0 0 387.373 3.351 10 5 GGBERN CCCCOc1ccc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000021866486 1399416673 /nfs/dbraw/zinc/41/66/73/1399416673.db2.gz GZAQLQJPOPZNQH-QGZVFWFLSA-N 0 0 388.420 3.246 10 5 GGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000022009531 1399430911 /nfs/dbraw/zinc/43/09/11/1399430911.db2.gz CTBXIEVDKDEAQI-HNNXBMFYSA-N 0 0 396.447 3.152 10 5 GGBERN COc1ccccc1CN(CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000047345285 1404811596 /nfs/dbraw/zinc/81/15/96/1404811596.db2.gz BUJMUJQRMPIGJV-UHFFFAOYSA-N 0 0 379.800 3.283 10 5 GGBERN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000057364004 1407596623 /nfs/dbraw/zinc/59/66/23/1407596623.db2.gz GEQRFGCGDIYNMF-UHFFFAOYSA-N 0 0 392.818 3.148 10 5 GGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065510826 1408681427 /nfs/dbraw/zinc/68/14/27/1408681427.db2.gz ALJHKJDYYNVSHN-UHFFFAOYSA-N 0 0 388.855 3.323 10 5 GGBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000065668684 1408708348 /nfs/dbraw/zinc/70/83/48/1408708348.db2.gz CEEGYDRLCGUZFO-UHFFFAOYSA-N 0 0 381.766 3.489 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Oc1cccc(C(=O)Nc2ccc(C)cc2)c1 ZINC000066445811 1408840157 /nfs/dbraw/zinc/84/01/57/1408840157.db2.gz HLJVZOKEIPXKKI-UHFFFAOYSA-N 0 0 394.387 3.266 10 5 GGBERN Cc1c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)nnn1-c1cccc2cccnc21 ZINC000067154496 1409024320 /nfs/dbraw/zinc/02/43/20/1409024320.db2.gz FXPJRKSEKBDORG-UHFFFAOYSA-N 0 0 388.387 3.309 10 5 GGBERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000067154500 1409024926 /nfs/dbraw/zinc/02/49/26/1409024926.db2.gz AXJKTBXJOAWQJB-UHFFFAOYSA-N 0 0 382.825 3.318 10 5 GGBERN Cc1ccn2cc(CNc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])nc2c1 ZINC000067383051 1409095716 /nfs/dbraw/zinc/09/57/16/1409095716.db2.gz GTQAWCRSCOYIJX-UHFFFAOYSA-N 0 0 390.403 3.128 10 5 GGBERN COc1ccc(CC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067816782 1409237174 /nfs/dbraw/zinc/23/71/74/1409237174.db2.gz BDEXKHOPLFNJPC-HUUCEWRRSA-N 0 0 399.447 3.398 10 5 GGBERN COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068375226 1409382808 /nfs/dbraw/zinc/38/28/08/1409382808.db2.gz BABMVDRJFQONCI-JTQLQIEISA-N 0 0 378.768 3.441 10 5 GGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCCN(Cc3cscn3)CC2)c1 ZINC000093016472 1410216432 /nfs/dbraw/zinc/21/64/32/1410216432.db2.gz FGZJOTOQWRAIQD-UHFFFAOYSA-N 0 0 398.435 3.361 10 5 GGBERN CNS(=O)(=O)c1ccc(Nc2cnn(CC(C)C)c2C(C)C)c([N+](=O)[O-])c1 ZINC000095452083 1410311181 /nfs/dbraw/zinc/31/11/81/1410311181.db2.gz RLXKXFJFQZDMOP-UHFFFAOYSA-N 0 0 395.485 3.222 10 5 GGBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1ccc(N(C)C)nc1 ZINC000095446794 1410311390 /nfs/dbraw/zinc/31/13/90/1410311390.db2.gz IXDSUYJKFPGFEN-CYBMUJFWSA-N 0 0 382.424 3.299 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](O)c3ccccc32)c1C ZINC000096012553 1410321836 /nfs/dbraw/zinc/32/18/36/1410321836.db2.gz BONFGSCGDWCJKG-QGZVFWFLSA-N 0 0 376.434 3.234 10 5 GGBERN COCCNC(=O)C[C@H](c1c[nH]c2ccc(OC)cc21)c1ccccc1[N+](=O)[O-] ZINC000096278235 1410326348 /nfs/dbraw/zinc/32/63/48/1410326348.db2.gz RGSORARCJILQPQ-INIZCTEOSA-N 0 0 397.431 3.369 10 5 GGBERN C[C@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096278032 1410326471 /nfs/dbraw/zinc/32/64/71/1410326471.db2.gz ZQTOLQVDYLZOJA-ZDUSSCGKSA-N 0 0 382.376 3.039 10 5 GGBERN C[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277127 1410326482 /nfs/dbraw/zinc/32/64/82/1410326482.db2.gz 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CS(=O)(=O)c1ccc(-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 ZINC000109610075 1411799815 /nfs/dbraw/zinc/79/98/15/1411799815.db2.gz FWFXJFZMCXNKBW-UHFFFAOYSA-N 0 0 384.373 3.197 10 5 GGBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116446710 1412861645 /nfs/dbraw/zinc/86/16/45/1412861645.db2.gz FOKVFMRYOSKDJF-NEPJUHHUSA-N 0 0 385.330 3.400 10 5 GGBERN C[S@@](=O)c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1F ZINC000119248789 1413389116 /nfs/dbraw/zinc/38/91/16/1413389116.db2.gz GECJIIBRLMECOX-SANMLTNESA-N 0 0 375.381 3.134 10 5 GGBERN COc1cc(-c2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)ccn1 ZINC000177448078 1428741316 /nfs/dbraw/zinc/74/13/16/1428741316.db2.gz CYXXRIAPLUQDFR-UHFFFAOYSA-N 0 0 377.154 3.478 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000122169337 1414378751 /nfs/dbraw/zinc/37/87/51/1414378751.db2.gz GSKCDZWMCFYHJQ-KBPBESRZSA-N 0 0 385.420 3.469 10 5 GGBERN C[C@@H]1CN(Cc2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000124089779 1414883888 /nfs/dbraw/zinc/88/38/88/1414883888.db2.gz GZZFNULMAKPJDO-IYBDPMFKSA-N 0 0 383.448 3.481 10 5 GGBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)CC2CCOCC2)c1=S ZINC000124689799 1415022581 /nfs/dbraw/zinc/02/25/81/1415022581.db2.gz APPJMMUPAFIVAC-UHFFFAOYSA-N 0 0 391.497 3.325 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000124873074 1415063902 /nfs/dbraw/zinc/06/39/02/1415063902.db2.gz HKPOCCZOSSTRRL-LLVKDONJSA-N 0 0 392.462 3.190 10 5 GGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1SC ZINC000125667421 1415249604 /nfs/dbraw/zinc/24/96/04/1415249604.db2.gz HFLZUGUKQURDDY-SWLSCSKDSA-N 0 0 390.465 3.245 10 5 GGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cnn(Cc2ccccc2)c1 ZINC000130609403 1416409417 /nfs/dbraw/zinc/40/94/17/1416409417.db2.gz GHTOYKYEIHZRQV-UHFFFAOYSA-N 0 0 393.447 3.348 10 5 GGBERN CCOC(=O)c1ccccc1N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 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10 5 GGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCOC2=O)cc1 ZINC000273025158 1434951574 /nfs/dbraw/zinc/95/15/74/1434951574.db2.gz CRMYMZRKXZZZSX-UHFFFAOYSA-N 0 0 398.419 3.060 10 5 GGBERN O=C(CCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccc2c(c1)CCC2 ZINC000273815394 1435017476 /nfs/dbraw/zinc/01/74/76/1435017476.db2.gz CKYHNISSTQXZEL-UHFFFAOYSA-N 0 0 378.388 3.268 10 5 GGBERN CC(C)(C)Oc1cccc(CCc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)n1 ZINC000273835903 1435019937 /nfs/dbraw/zinc/01/99/37/1435019937.db2.gz DTWDUOAFWPRNFT-UHFFFAOYSA-N 0 0 383.408 3.321 10 5 GGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000279323532 1435486464 /nfs/dbraw/zinc/48/64/64/1435486464.db2.gz CBJFJTZJPWURQG-ZWKOTPCHSA-N 0 0 389.383 3.251 10 5 GGBERN COc1ccc(C[NH2+][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426761768 1126088749 /nfs/dbraw/zinc/08/87/49/1126088749.db2.gz DAILCQYXWXAYEG-CQSZACIVSA-N 0 0 382.775 3.181 10 5 GGBERN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000600941788 1126098849 /nfs/dbraw/zinc/09/88/49/1126098849.db2.gz JNWCLCIQVDUWQX-HNNXBMFYSA-N 0 0 382.338 3.485 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nc2c1 ZINC001197298280 1126154030 /nfs/dbraw/zinc/15/40/30/1126154030.db2.gz WBKUEFYLEQLHAY-NVXWUHKLSA-N 0 0 394.353 3.095 10 5 GGBERN O=[N+]([O-])c1ccc2oc(CN[C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)nc2c1 ZINC001308037761 1126162382 /nfs/dbraw/zinc/16/23/82/1126162382.db2.gz GCUWMEAWBNFEFC-YOEHRIQHSA-N 0 0 395.337 3.360 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001648158868 1126250175 /nfs/dbraw/zinc/25/01/75/1126250175.db2.gz SLSYUZUTJBGUND-RDJZCZTQSA-N 0 0 384.354 3.228 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001648158866 1126250179 /nfs/dbraw/zinc/25/01/79/1126250179.db2.gz SLSYUZUTJBGUND-DOTOQJQBSA-N 0 0 384.354 3.228 10 5 GGBERN CCOc1ccccc1/C=C\C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000096612424 206301445 /nfs/dbraw/zinc/30/14/45/206301445.db2.gz SWUQBHODRGCSKU-QXMHVHEDSA-N 0 0 381.432 3.356 10 5 GGBERN Cc1nc(C)c(C(C)C)c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000000697444 206318285 /nfs/dbraw/zinc/31/82/85/206318285.db2.gz PSLMPNUSEXWFKV-UHFFFAOYSA-N 0 0 383.452 3.087 10 5 GGBERN COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cc(C)cc1C ZINC000001023879 206341808 /nfs/dbraw/zinc/34/18/08/206341808.db2.gz CDAWEBAYONAYLL-UHFFFAOYSA-N 0 0 387.392 3.499 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001036305 206344530 /nfs/dbraw/zinc/34/45/30/206344530.db2.gz UFTMNAZRANYLJD-UHFFFAOYSA-N 0 0 398.824 3.061 10 5 GGBERN COc1ccccc1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000001044014 206345508 /nfs/dbraw/zinc/34/55/08/206345508.db2.gz ORCPFNIIIOIGIB-UHFFFAOYSA-N 0 0 376.434 3.172 10 5 GGBERN O=c1c2c3c(sc2nc2c4ccccc4c(N4CCOCC4)nn12)CCCC3 ZINC000001465706 206383216 /nfs/dbraw/zinc/38/32/16/206383216.db2.gz UBXWXQRFVXISPY-UHFFFAOYSA-N 0 0 392.484 3.173 10 5 GGBERN Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000002617275 206422538 /nfs/dbraw/zinc/42/25/38/206422538.db2.gz AORBWWRGQMIDBT-UHFFFAOYSA-N 0 0 381.388 3.499 10 5 GGBERN Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c1Cl ZINC000002617249 206423415 /nfs/dbraw/zinc/42/34/15/206423415.db2.gz UUZPHZGGRLELIP-UHFFFAOYSA-N 0 0 390.204 3.462 10 5 GGBERN O=C(COC(=O)c1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003434909 206479275 /nfs/dbraw/zinc/47/92/75/206479275.db2.gz QNXGGXDNUNKPLD-UHFFFAOYSA-N 0 0 375.337 3.139 10 5 GGBERN Cc1csc(NC(=O)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)n1 ZINC000003411191 206477955 /nfs/dbraw/zinc/47/79/55/206477955.db2.gz NIWDWYBWMOXCTI-ZDUSSCGKSA-N 0 0 396.856 3.406 10 5 GGBERN Cc1ccccc1CS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000003017460 206453480 /nfs/dbraw/zinc/45/34/80/206453480.db2.gz HRSBLSSDWABRFE-UHFFFAOYSA-N 0 0 388.445 3.113 10 5 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381.432 3.484 10 5 GGBERN CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000008255975 206743170 /nfs/dbraw/zinc/74/31/70/206743170.db2.gz PZXILGUBHAWNNA-GFCCVEGCSA-N 0 0 377.470 3.114 10 5 GGBERN O=C1c2ccccc2N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1C[C@@H]1CCCO1 ZINC000009118086 206775410 /nfs/dbraw/zinc/77/54/10/206775410.db2.gz PVZISDJWMUWUAV-HXPMCKFVSA-N 0 0 397.387 3.069 10 5 GGBERN O=C(NCCSCc1ccco1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009157896 206775857 /nfs/dbraw/zinc/77/58/57/206775857.db2.gz HPMXKJLYOQIMKA-UHFFFAOYSA-N 0 0 389.477 3.454 10 5 GGBERN COc1ccc(NC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c(OC)c1 ZINC000009156282 206776230 /nfs/dbraw/zinc/77/62/30/206776230.db2.gz XGSJFPWDKMYKFY-ZZXKWVIFSA-N 0 0 386.360 3.130 10 5 GGBERN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000009219396 206777402 /nfs/dbraw/zinc/77/74/02/206777402.db2.gz IXNLTMNQGOUOSP-MRXNPFEDSA-N 0 0 394.383 3.369 10 5 GGBERN Cc1ccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000012779865 206937459 /nfs/dbraw/zinc/93/74/59/206937459.db2.gz ATQUOLZLUGXAOD-UHFFFAOYSA-N 0 0 389.330 3.253 10 5 GGBERN Cc1nn(C)c(C)c1C(=O)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000012741546 206930300 /nfs/dbraw/zinc/93/03/00/206930300.db2.gz JIKAFVRTENXLSF-UHFFFAOYSA-N 0 0 390.395 3.223 10 5 GGBERN Cc1cccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)c1[N+](=O)[O-] ZINC000012815234 206943280 /nfs/dbraw/zinc/94/32/80/206943280.db2.gz IYZJRUVQTMRFII-UHFFFAOYSA-N 0 0 377.404 3.333 10 5 GGBERN COc1cccc(N2C[C@@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000012987378 206961039 /nfs/dbraw/zinc/96/10/39/206961039.db2.gz FMDTYMGOYXEROZ-HOCLYGCPSA-N 0 0 397.431 3.176 10 5 GGBERN Cc1cccc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000014085771 207009728 /nfs/dbraw/zinc/00/97/28/207009728.db2.gz FJQKFZQITMDLSP-UHFFFAOYSA-N 0 0 381.310 3.448 10 5 GGBERN Cc1c(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)noc1-c1ccc(F)cc1 ZINC000014019316 207007600 /nfs/dbraw/zinc/00/76/00/207007600.db2.gz 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COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000018111380 207092225 /nfs/dbraw/zinc/09/22/25/207092225.db2.gz ZGRCRCBFUMKUDI-UHFFFAOYSA-N 0 0 395.868 3.276 10 5 GGBERN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1cccc(Cl)c1 ZINC000018331576 207097594 /nfs/dbraw/zinc/09/75/94/207097594.db2.gz ASJNZLIBGHEMKD-LLVKDONJSA-N 0 0 392.795 3.081 10 5 GGBERN CC(C)C(=O)Nc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000018901461 207097760 /nfs/dbraw/zinc/09/77/60/207097760.db2.gz MXKYTWALJDFTNR-UHFFFAOYSA-N 0 0 377.422 3.336 10 5 GGBERN CCOc1ccc(C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)cc1[N+](=O)[O-] ZINC000019004526 207099529 /nfs/dbraw/zinc/09/95/29/207099529.db2.gz WNCJLZQFTKKZCF-UHFFFAOYSA-N 0 0 399.355 3.471 10 5 GGBERN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000019617925 207143951 /nfs/dbraw/zinc/14/39/51/207143951.db2.gz LAXNGFGCCXMQFI-UHFFFAOYSA-N 0 0 394.431 3.435 10 5 GGBERN CCOC(=O)c1c2c(sc1NC(=O)c1cc([N+](=O)[O-])n[nH]1)CCCCC2 ZINC000020168391 207182807 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3.283 10 5 GGBERN CC(=O)N1N=C(c2cccc(Br)c2)O[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000021090655 207225639 /nfs/dbraw/zinc/22/56/39/207225639.db2.gz ZXNXICYFSXNLGS-AWEZNQCLSA-N 0 0 380.154 3.189 10 5 GGBERN CC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000021090651 207225796 /nfs/dbraw/zinc/22/57/96/207225796.db2.gz ZXNXICYFSXNLGS-CQSZACIVSA-N 0 0 380.154 3.189 10 5 GGBERN CC(=O)N1N=C(c2ccc([N+](=O)[O-])o2)O[C@@H]1c1cccc(Br)c1 ZINC000021092302 207225852 /nfs/dbraw/zinc/22/58/52/207225852.db2.gz CDKHUCPVMZTNMF-CQSZACIVSA-N 0 0 380.154 3.189 10 5 GGBERN CC(=O)n1cc(C2=NN(C(C)=O)[C@@H](c3ccccc3[N+](=O)[O-])O2)c2ccccc21 ZINC000021092015 207225900 /nfs/dbraw/zinc/22/59/00/207225900.db2.gz WRYJJLQECKMKBN-HXUWFJFHSA-N 0 0 392.371 3.449 10 5 GGBERN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1occc1COc1ccccc1 ZINC000022242756 207250313 /nfs/dbraw/zinc/25/03/13/207250313.db2.gz UCUFWDOGLHJZCT-GOSISDBHSA-N 0 0 382.372 3.230 10 5 GGBERN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1occc1COc1ccccc1 ZINC000022242754 207250572 /nfs/dbraw/zinc/25/05/72/207250572.db2.gz UCUFWDOGLHJZCT-SFHVURJKSA-N 0 0 382.372 3.230 10 5 GGBERN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 ZINC000023114256 207268088 /nfs/dbraw/zinc/26/80/88/207268088.db2.gz FDJXPUXNCNSJLK-HXUWFJFHSA-N 0 0 393.399 3.032 10 5 GGBERN CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000024976082 207299023 /nfs/dbraw/zinc/29/90/23/207299023.db2.gz NOAJAXQTPVHVHY-OAHLLOKOSA-N 0 0 391.449 3.217 10 5 GGBERN O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000025043617 207299361 /nfs/dbraw/zinc/29/93/61/207299361.db2.gz MELOXRGIVYJNJB-LBPRGKRZSA-N 0 0 381.310 3.403 10 5 GGBERN CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000024976089 207299684 /nfs/dbraw/zinc/29/96/84/207299684.db2.gz NOAJAXQTPVHVHY-HNNXBMFYSA-N 0 0 391.449 3.217 10 5 GGBERN O=c1c([N+](=O)[O-])c(NCCNc2cccc3ccccc32)nc2ccccn21 ZINC000025066135 207300061 /nfs/dbraw/zinc/30/00/61/207300061.db2.gz 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CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000030426662 207368664 /nfs/dbraw/zinc/36/86/64/207368664.db2.gz NSXFWEQEPHKDGB-CYBMUJFWSA-N 0 0 382.463 3.363 10 5 GGBERN Cc1sc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000031009688 207379904 /nfs/dbraw/zinc/37/99/04/207379904.db2.gz VCASSHQYEBAZDT-VHSXEESVSA-N 0 0 394.371 3.359 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cnn(-c3ccccc3)c2)c1 ZINC000031537320 207381954 /nfs/dbraw/zinc/38/19/54/207381954.db2.gz CHQQNLYSCVQDHW-UHFFFAOYSA-N 0 0 380.404 3.174 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000032410303 207395877 /nfs/dbraw/zinc/39/58/77/207395877.db2.gz ULLGVDRNPTXIBB-FZMZJTMJSA-N 0 0 380.422 3.141 10 5 GGBERN COc1ccccc1-c1cc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)on1 ZINC000032865949 207414914 /nfs/dbraw/zinc/41/49/14/207414914.db2.gz JQFLERQVGJOZGP-UHFFFAOYSA-N 0 0 378.344 3.017 10 5 GGBERN C[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000058061530 207761335 /nfs/dbraw/zinc/76/13/35/207761335.db2.gz NQIQQHKABKOVDP-LBPRGKRZSA-N 0 0 376.376 3.166 10 5 GGBERN COCCCCN1C(=O)[C@@H](Oc2cccc(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000058154927 207761963 /nfs/dbraw/zinc/76/19/63/207761963.db2.gz BBPPKQKCDODQPS-MOPGFXCFSA-N 0 0 388.395 3.491 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000056345614 207745500 /nfs/dbraw/zinc/74/55/00/207745500.db2.gz FTUIHPXAHVMEOK-GOSISDBHSA-N 0 0 382.420 3.470 10 5 GGBERN CCCCN(C(=O)[C@H]1CC1[N+](=O)[O-])c1cccc(I)c1 ZINC000084744415 208098399 /nfs/dbraw/zinc/09/83/99/208098399.db2.gz VSLABSPYEUKNPL-QWHCGFSZSA-N 0 0 388.205 3.090 10 5 GGBERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000089919506 208112397 /nfs/dbraw/zinc/11/23/97/208112397.db2.gz RXAOTNFIMUCPCZ-IBGZPJMESA-N 0 0 381.432 3.155 10 5 GGBERN CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095074649 208151886 /nfs/dbraw/zinc/15/18/86/208151886.db2.gz HGUKSGJCOBNQGD-UHFFFAOYSA-N 0 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CC(C)(C)OC(=O)N1CCC[C@H]1C[S@@](=O)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095086102 208155746 /nfs/dbraw/zinc/15/57/46/208155746.db2.gz YKSZNKPZPSZJJA-JWNZJDHWSA-N 0 0 395.437 3.243 10 5 GGBERN Cc1cc(N(CCCO)Cc2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095428368 208180999 /nfs/dbraw/zinc/18/09/99/208180999.db2.gz WKOURWOOBZKMCJ-UHFFFAOYSA-N 0 0 379.420 3.144 10 5 GGBERN CCOC(=O)CN(CCOC)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095443204 208182307 /nfs/dbraw/zinc/18/23/07/208182307.db2.gz SOEOGSXTAZADOI-UHFFFAOYSA-N 0 0 384.738 3.283 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](O)c3ccccc32)c1C ZINC000096012552 208252302 /nfs/dbraw/zinc/25/23/02/208252302.db2.gz BONFGSCGDWCJKG-KRWDZBQOSA-N 0 0 376.434 3.234 10 5 GGBERN COc1cccc(CCNc2ccc(N3C(=O)C[C@H](C)C3=O)cc2[N+](=O)[O-])c1 ZINC000101857841 208397360 /nfs/dbraw/zinc/39/73/60/208397360.db2.gz XAOIGIFEMNZJGU-ZDUSSCGKSA-N 0 0 383.404 3.157 10 5 GGBERN NC(=O)c1cccc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000225540492 208957771 /nfs/dbraw/zinc/95/77/71/208957771.db2.gz FVIQUOLRYNRJFM-GOSISDBHSA-N 0 0 389.839 3.297 10 5 GGBERN CC(=O)c1ccc(N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000241173076 209019291 /nfs/dbraw/zinc/01/92/91/209019291.db2.gz KFUBVNLPHGTSSK-RHSMWYFYSA-N 0 0 375.425 3.243 10 5 GGBERN COc1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000006552366 220940929 /nfs/dbraw/zinc/94/09/29/220940929.db2.gz DRZAQIQELNZPIG-UHFFFAOYSA-N 0 0 378.406 3.180 10 5 GGBERN CNS(=O)(=O)c1ccc(N2C[C@H](C)CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000253417642 209041428 /nfs/dbraw/zinc/04/14/28/209041428.db2.gz DDRQXDDAECXLIS-RHSMWYFYSA-N 0 0 389.477 3.481 10 5 GGBERN CNS(=O)(=O)c1ccc(N2C[C@H](C)CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000253417635 209041655 /nfs/dbraw/zinc/04/16/55/209041655.db2.gz DDRQXDDAECXLIS-PBHICJAKSA-N 0 0 389.477 3.481 10 5 GGBERN CC(C)[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000007121351 220986529 /nfs/dbraw/zinc/98/65/29/220986529.db2.gz VXEHDRZGMJBWDI-MRXNPFEDSA-N 0 0 375.406 3.078 10 5 GGBERN Cc1nn(CC(=O)NCCCCOc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000009154149 221071152 /nfs/dbraw/zinc/07/11/52/221071152.db2.gz XHMUQFBFUMKLGL-UHFFFAOYSA-N 0 0 380.832 3.037 10 5 GGBERN Cc1nn(CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(=S)s1 ZINC000012553209 221205741 /nfs/dbraw/zinc/20/57/41/221205741.db2.gz SSJYVXCGYKYSBR-UHFFFAOYSA-N 0 0 385.902 3.324 10 5 GGBERN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1ccccc1N1CCc2sccc2C1 ZINC000040134157 132399311 /nfs/dbraw/zinc/39/93/11/132399311.db2.gz NJISDQBDSNRBHB-UHFFFAOYSA-N 0 0 397.460 3.444 10 5 GGBERN CSc1ccccc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058160226 136154739 /nfs/dbraw/zinc/15/47/39/136154739.db2.gz CWQHCRWURUDOSL-UHFFFAOYSA-N 0 0 386.477 3.077 10 5 GGBERN CN(C(=O)OC(C)(C)C)C1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000095074717 136177772 /nfs/dbraw/zinc/17/77/72/136177772.db2.gz AQMQZCUVADSZIG-UHFFFAOYSA-N 0 0 387.440 3.374 10 5 GGBERN CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000106538878 136191601 /nfs/dbraw/zinc/19/16/01/136191601.db2.gz BZTUWMDCCYHPHH-HUUCEWRRSA-N 0 0 391.468 3.149 10 5 GGBERN Cc1ncc([N+](=O)[O-])n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000169311293 136197183 /nfs/dbraw/zinc/19/71/83/136197183.db2.gz WVQSVFIEDLYUOM-UHFFFAOYSA-N 0 0 384.267 3.229 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)c1C ZINC000114741392 564181543 /nfs/dbraw/zinc/18/15/43/564181543.db2.gz CMNLSUQGKLSHQB-ZDUSSCGKSA-N 0 0 381.479 3.236 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)c1C ZINC000114741394 564181650 /nfs/dbraw/zinc/18/16/50/564181650.db2.gz CMNLSUQGKLSHQB-CYBMUJFWSA-N 0 0 381.479 3.236 10 5 GGBERN CCOC(=O)CSc1ccc(C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000003020012 564192812 /nfs/dbraw/zinc/19/28/12/564192812.db2.gz ZKUUHPXPGRKZEV-UHFFFAOYSA-N 0 0 380.447 3.242 10 5 GGBERN Cc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000003287529 564195002 /nfs/dbraw/zinc/19/50/02/564195002.db2.gz XDSQCBFGSNOFJO-UHFFFAOYSA-N 0 0 393.193 3.461 10 5 GGBERN Cc1ccc([C@H]2CSCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000116375717 564209446 /nfs/dbraw/zinc/20/94/46/564209446.db2.gz RUGHSMFNKCQOBG-CYBMUJFWSA-N 0 0 384.504 3.444 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)c2nccs2)cc1[N+](=O)[O-] ZINC000116376758 564209721 /nfs/dbraw/zinc/20/97/21/564209721.db2.gz GXFUEXZTNLRFHM-UHFFFAOYSA-N 0 0 375.859 3.227 10 5 GGBERN O=C(Nc1ccc(Br)cc1)c1[nH]nc([N+](=O)[O-])c1Br ZINC000005907848 564219383 /nfs/dbraw/zinc/21/93/83/564219383.db2.gz HLGIBPZPCCUXJR-UHFFFAOYSA-N 0 0 389.991 3.095 10 5 GGBERN Cc1ccc(OCC(=O)Nc2ccc(Br)cc2F)c([N+](=O)[O-])n1 ZINC000006613549 564225520 /nfs/dbraw/zinc/22/55/20/564225520.db2.gz JUABCJIFLWFHCE-UHFFFAOYSA-N 0 0 384.161 3.217 10 5 GGBERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117671821 564230295 /nfs/dbraw/zinc/23/02/95/564230295.db2.gz OPVMXDHXKIWWRE-UHFFFAOYSA-N 0 0 382.825 3.141 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(F)cc2[N+](=O)[O-])nc1 ZINC000007187138 564233951 /nfs/dbraw/zinc/23/39/51/564233951.db2.gz VPWVJIQXMFSPIL-UHFFFAOYSA-N 0 0 385.442 3.311 10 5 GGBERN CN(C)c1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000117929083 564235022 /nfs/dbraw/zinc/23/50/22/564235022.db2.gz XEBZURDNQSPXDV-AWEZNQCLSA-N 0 0 381.479 3.248 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2cccc(Br)c2C1 ZINC000118280809 564237703 /nfs/dbraw/zinc/23/77/03/564237703.db2.gz MGPFZFKDFBYLKM-UHFFFAOYSA-N 0 0 375.222 3.485 10 5 GGBERN C[C@@H]1SCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000118417165 564240635 /nfs/dbraw/zinc/24/06/35/564240635.db2.gz CNLISFYJQLEAOV-UWVGGRQHSA-N 0 0 388.287 3.122 10 5 GGBERN C[C@H]1SCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000118417173 564240895 /nfs/dbraw/zinc/24/08/95/564240895.db2.gz CNLISFYJQLEAOV-VHSXEESVSA-N 0 0 388.287 3.122 10 5 GGBERN O=C(c1csc(Br)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118689904 564244184 /nfs/dbraw/zinc/24/41/84/564244184.db2.gz QZWRYDXAVZHXOR-JTQLQIEISA-N 0 0 397.254 3.140 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(SCc2cccc([N+](=O)[O-])c2)nc1 ZINC000010865102 564260315 /nfs/dbraw/zinc/26/03/15/564260315.db2.gz OLWDHMKFRYKWME-UHFFFAOYSA-N 0 0 381.479 3.313 10 5 GGBERN COc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000119514865 564275471 /nfs/dbraw/zinc/27/54/71/564275471.db2.gz BEPUFGXTHJHLLN-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN COc1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000119514985 564275540 /nfs/dbraw/zinc/27/55/40/564275540.db2.gz BEPUFGXTHJHLLN-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN CC(C)c1noc(CCC(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)n1 ZINC000119599596 564278246 /nfs/dbraw/zinc/27/82/46/564278246.db2.gz DLDFXJAQZVPQGS-UHFFFAOYSA-N 0 0 383.202 3.435 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CC(=O)Nc2ccccc21 ZINC000119620532 564280191 /nfs/dbraw/zinc/28/01/91/564280191.db2.gz FPOPAKDBDZENPP-NSHDSACASA-N 0 0 390.193 3.422 10 5 GGBERN O=C(NCc1cscn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000119624311 564280301 /nfs/dbraw/zinc/28/03/01/564280301.db2.gz QPOQTMPOAOLLGG-UHFFFAOYSA-N 0 0 398.231 3.474 10 5 GGBERN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000016108619 564291736 /nfs/dbraw/zinc/29/17/36/564291736.db2.gz KEXJYLFXKUDBNC-SNVBAGLBSA-N 0 0 382.825 3.143 10 5 GGBERN CN1C(=O)C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)cc1 ZINC000119940404 564296174 /nfs/dbraw/zinc/29/61/74/564296174.db2.gz QMOGYOLANQLIQX-NHYWBVRUSA-N 0 0 379.825 3.012 10 5 GGBERN Cc1c(Br)cc(C(=O)Nc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000119988753 564299122 /nfs/dbraw/zinc/29/91/22/564299122.db2.gz BZBDSXKIBBVXRR-UHFFFAOYSA-N 0 0 379.214 3.379 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)c1C ZINC000120627071 564329610 /nfs/dbraw/zinc/32/96/10/564329610.db2.gz ISXAZQMHTLGIHN-CYBMUJFWSA-N 0 0 381.479 3.236 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](c2nccs2)C1 ZINC000121193941 564359307 /nfs/dbraw/zinc/35/93/07/564359307.db2.gz KPUDVHSFBIJSGO-LBPRGKRZSA-N 0 0 398.238 3.028 10 5 GGBERN C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000121390956 564366603 /nfs/dbraw/zinc/36/66/03/564366603.db2.gz UKBNXXAILRXHJE-SKDRFNHKSA-N 0 0 378.372 3.389 10 5 GGBERN O=[N+]([O-])c1cc(F)ccc1N1CCN(c2ccc(Br)cn2)CC1 ZINC000029624930 564372019 /nfs/dbraw/zinc/37/20/19/564372019.db2.gz WINWKBRUPORWOM-UHFFFAOYSA-N 0 0 381.205 3.218 10 5 GGBERN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000029969764 564375833 /nfs/dbraw/zinc/37/58/33/564375833.db2.gz PAZGJCQQTNCSSD-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000121788519 564386251 /nfs/dbraw/zinc/38/62/51/564386251.db2.gz OMRRATPYXBIWCU-AWEZNQCLSA-N 0 0 393.241 3.377 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1 ZINC000121791071 564387450 /nfs/dbraw/zinc/38/74/50/564387450.db2.gz NQKOIMTWXSRNDA-UHFFFAOYSA-N 0 0 379.214 3.100 10 5 GGBERN Cc1sc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000032467857 564401687 /nfs/dbraw/zinc/40/16/87/564401687.db2.gz UGXCIPYJHANPDC-UHFFFAOYSA-N 0 0 382.825 3.362 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000122443750 564413604 /nfs/dbraw/zinc/41/36/04/564413604.db2.gz WXLNQLBXNPXLLM-LSDHHAIUSA-N 0 0 383.242 3.070 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000041173849 564430378 /nfs/dbraw/zinc/43/03/78/564430378.db2.gz HMPYSKVQAWJFJE-INIZCTEOSA-N 0 0 382.825 3.010 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000041757391 564437016 /nfs/dbraw/zinc/43/70/16/564437016.db2.gz VQGPDBBRQMJTQF-MRVPVSSYSA-N 0 0 383.813 3.134 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2cc[nH]n2)CC1 ZINC000123521716 564451452 /nfs/dbraw/zinc/45/14/52/564451452.db2.gz UQILBNDFMKGUHK-UHFFFAOYSA-N 0 0 379.214 3.100 10 5 GGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123587396 564454608 /nfs/dbraw/zinc/45/46/08/564454608.db2.gz WEYIIFGJFNKZST-SECBINFHSA-N 0 0 387.230 3.160 10 5 GGBERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123645414 564456691 /nfs/dbraw/zinc/45/66/91/564456691.db2.gz GGBTVPYTDGNFLH-CQSZACIVSA-N 0 0 393.241 3.167 10 5 GGBERN O=[N+]([O-])c1ccc(NCCc2ccsc2)c(S(=O)(=O)N2CCCC2)c1 ZINC000043782706 564461756 /nfs/dbraw/zinc/46/17/56/564461756.db2.gz VXHWAFICJNYBGQ-UHFFFAOYSA-N 0 0 381.479 3.095 10 5 GGBERN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1OCCO ZINC000124095949 564471014 /nfs/dbraw/zinc/47/10/14/564471014.db2.gz MXHZEILLRGEEGO-UHFFFAOYSA-N 0 0 395.209 3.289 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000124181603 564473820 /nfs/dbraw/zinc/47/38/20/564473820.db2.gz WQXWPSIONXPAKS-NSHDSACASA-N 0 0 393.241 3.029 10 5 GGBERN C[C@@H](Cc1ccc(O)cc1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124332206 564478988 /nfs/dbraw/zinc/47/89/88/564478988.db2.gz NVDPPOWBNSTINT-NSHDSACASA-N 0 0 384.841 3.206 10 5 GGBERN Cc1c(Br)cc(C(=O)NCc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000125144198 564504582 /nfs/dbraw/zinc/50/45/82/564504582.db2.gz SXLLMPKYKAHPLB-UHFFFAOYSA-N 0 0 395.257 3.448 10 5 GGBERN CCCNC(=O)CSc1nnc(SCc2csc([N+](=O)[O-])c2)s1 ZINC000047171917 564514697 /nfs/dbraw/zinc/51/46/97/564514697.db2.gz AUAGAGWLQWWRSQ-UHFFFAOYSA-N 0 0 390.537 3.418 10 5 GGBERN CS(=O)(=O)c1cc(NCCc2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000125658731 564522053 /nfs/dbraw/zinc/52/20/53/564522053.db2.gz RQWRJSAWYUFMFW-UHFFFAOYSA-N 0 0 395.384 3.128 10 5 GGBERN CSCCCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000126011615 564533859 /nfs/dbraw/zinc/53/38/59/564533859.db2.gz KJCMJTMANCUQGV-UHFFFAOYSA-N 0 0 394.234 3.072 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000125995985 564534125 /nfs/dbraw/zinc/53/41/25/564534125.db2.gz MPNZJEJXEMHLIK-UHFFFAOYSA-N 0 0 376.722 3.273 10 5 GGBERN CCOC(=O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)[C@H](C)CC ZINC000048278697 564535342 /nfs/dbraw/zinc/53/53/42/564535342.db2.gz YUYJXXQLXATUFW-GMROUXNLSA-N 0 0 375.830 3.366 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ncc(Br)cn2)CC1 ZINC000048375078 564538587 /nfs/dbraw/zinc/53/85/87/564538587.db2.gz LPIWRYAUTKPBJX-GFCCVEGCSA-N 0 0 392.257 3.031 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126291585 564543596 /nfs/dbraw/zinc/54/35/96/564543596.db2.gz GCRSKNSJUISNAX-UHFFFAOYSA-N 0 0 376.722 3.273 10 5 GGBERN O=C(Nc1cncc(Br)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126935006 564567547 /nfs/dbraw/zinc/56/75/47/564567547.db2.gz PZHHCECVNWGRJA-UHFFFAOYSA-N 0 0 377.198 3.343 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1=O ZINC000127214179 564577043 /nfs/dbraw/zinc/57/70/43/564577043.db2.gz OJOORQSQUNLIAU-JTQLQIEISA-N 0 0 384.219 3.249 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(CCCC(=O)c2ccc(Br)cc2)c1=O ZINC000127203361 564577061 /nfs/dbraw/zinc/57/70/61/564577061.db2.gz OILURPOBDCHUBS-UHFFFAOYSA-N 0 0 379.210 3.491 10 5 GGBERN CCCN(CCc1ccccn1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000127199852 564577347 /nfs/dbraw/zinc/57/73/47/564577347.db2.gz QKQIUABJIOTTSB-UHFFFAOYSA-N 0 0 383.857 3.287 10 5 GGBERN O=[N+]([O-])c1ccc(Oc2ncc(I)cn2)c2cccnc21 ZINC000127542100 564587272 /nfs/dbraw/zinc/58/72/72/564587272.db2.gz FXYDNROZLDPYRQ-UHFFFAOYSA-N 0 0 394.128 3.330 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)c1C ZINC000127567911 564588110 /nfs/dbraw/zinc/58/81/10/564588110.db2.gz DNFWUOXVNTYTJX-OAHLLOKOSA-N 0 0 382.463 3.035 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127693519 564592247 /nfs/dbraw/zinc/59/22/47/564592247.db2.gz UPUVRTJNKFXISE-ZBEGNZNMSA-N 0 0 383.242 3.125 10 5 GGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](c3cccs3)C2)cc1C ZINC000127838757 564597752 /nfs/dbraw/zinc/59/77/52/564597752.db2.gz YVQPKCDVOPYOOU-AWEZNQCLSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1cc(C[C@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000127872543 564599310 /nfs/dbraw/zinc/59/93/10/564599310.db2.gz CVDWBDGOQVGXSJ-QMMMGPOBSA-N 0 0 381.230 3.058 10 5 GGBERN COc1ccc(CS(=O)(=O)Cc2csc(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000055209032 564616136 /nfs/dbraw/zinc/61/61/36/564616136.db2.gz CROCAPWIACWYQH-UHFFFAOYSA-N 0 0 384.479 3.472 10 5 GGBERN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000128624772 564623842 /nfs/dbraw/zinc/62/38/42/564623842.db2.gz RDVCNJFNUACYDM-SNVBAGLBSA-N 0 0 382.825 3.143 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000128759478 564629380 /nfs/dbraw/zinc/62/93/80/564629380.db2.gz DJMLQGUAAOSLQL-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000129152031 564639911 /nfs/dbraw/zinc/63/99/11/564639911.db2.gz DRIOQUVGPMOGIC-ZDUSSCGKSA-N 0 0 382.360 3.003 10 5 GGBERN O=C(Nc1c[nH]cc(Br)c1=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129686119 564657015 /nfs/dbraw/zinc/65/70/15/564657015.db2.gz UOLDEPDIPQWYRT-UHFFFAOYSA-N 0 0 377.154 3.192 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCc2c1cccc2Cl ZINC000057021520 564657404 /nfs/dbraw/zinc/65/74/04/564657404.db2.gz KQCKTNZAQCTKBR-AWEZNQCLSA-N 0 0 382.825 3.223 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000057021519 564657426 /nfs/dbraw/zinc/65/74/26/564657426.db2.gz KQCKTNZAQCTKBR-CQSZACIVSA-N 0 0 382.825 3.223 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000057022137 564657996 /nfs/dbraw/zinc/65/79/96/564657996.db2.gz CFXNSORRDFBDCW-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000057021858 564658031 /nfs/dbraw/zinc/65/80/31/564658031.db2.gz KOFGEXVJRYRVFI-CQSZACIVSA-N 0 0 382.825 3.223 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000129944052 564665839 /nfs/dbraw/zinc/66/58/39/564665839.db2.gz RXBLQXHQZHKJBH-CYBMUJFWSA-N 0 0 376.722 3.173 10 5 GGBERN COC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000129950388 564666168 /nfs/dbraw/zinc/66/61/68/564666168.db2.gz UKONXJYQYMIDKW-UHFFFAOYSA-N 0 0 393.193 3.074 10 5 GGBERN CC(C)(C)c1nc(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000130176479 564672731 /nfs/dbraw/zinc/67/27/31/564672731.db2.gz XREYMQZXIGJHDH-UHFFFAOYSA-N 0 0 383.495 3.011 10 5 GGBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1cccc(Br)c1 ZINC000130505249 564684013 /nfs/dbraw/zinc/68/40/13/564684013.db2.gz DGQNSBNHEFIKDY-UHFFFAOYSA-N 0 0 376.166 3.222 10 5 GGBERN COc1ccc2c(c1)CCN2S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000058494844 564684491 /nfs/dbraw/zinc/68/44/91/564684491.db2.gz YFIXILPINJKBNR-UHFFFAOYSA-N 0 0 382.825 3.317 10 5 GGBERN COc1cc(CN2CCS[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131362896 564709632 /nfs/dbraw/zinc/70/96/32/564709632.db2.gz HVVZJJGOWNCXQR-SNVBAGLBSA-N 0 0 380.388 3.482 10 5 GGBERN Cc1sc(C(=O)NCc2cc3c(c(Br)c2)OCO3)cc1[N+](=O)[O-] ZINC000063714666 564720790 /nfs/dbraw/zinc/72/07/90/564720790.db2.gz RXJDRUPHQAPIAW-UHFFFAOYSA-N 0 0 399.222 3.386 10 5 GGBERN CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242108 564726155 /nfs/dbraw/zinc/72/61/55/564726155.db2.gz FPTQPPPJZIBNDT-UHFFFAOYSA-N 0 0 378.378 3.078 10 5 GGBERN CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242547 564726610 /nfs/dbraw/zinc/72/66/10/564726610.db2.gz IJWQPQGDINYQPI-UHFFFAOYSA-N 0 0 376.843 3.009 10 5 GGBERN CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245116 564726982 /nfs/dbraw/zinc/72/69/82/564726982.db2.gz OPGLOEFWKLTTQG-UHFFFAOYSA-N 0 0 396.368 3.376 10 5 GGBERN Cc1nc([N+](=O)[O-])c(Br)n1Cc1nc(-c2cccc(C)c2)no1 ZINC000064332928 564728150 /nfs/dbraw/zinc/72/81/50/564728150.db2.gz FSTDHOYNTHHOOB-UHFFFAOYSA-N 0 0 378.186 3.269 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCc2cccc(Cl)c21 ZINC000064374409 564728179 /nfs/dbraw/zinc/72/81/79/564728179.db2.gz IOWQKYUDZGSYLH-UHFFFAOYSA-N 0 0 382.825 3.398 10 5 GGBERN O=C(Cc1ccccc1Cl)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000064957169 564737674 /nfs/dbraw/zinc/73/76/74/564737674.db2.gz SPKYQEBPSRXZTP-UHFFFAOYSA-N 0 0 379.869 3.197 10 5 GGBERN CN(Cc1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000132277566 564738492 /nfs/dbraw/zinc/73/84/92/564738492.db2.gz LEMMCEDWOFPFFK-UHFFFAOYSA-N 0 0 396.368 3.376 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCCC3)cc2)s1 ZINC000132324224 564740320 /nfs/dbraw/zinc/74/03/20/564740320.db2.gz OGRBWLMZUSBZGN-UHFFFAOYSA-N 0 0 381.479 3.095 10 5 GGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1CO ZINC000132732416 564751723 /nfs/dbraw/zinc/75/17/23/564751723.db2.gz RJARKSIXQRCWDL-UHFFFAOYSA-N 0 0 381.182 3.111 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2OC2CCCC2)s1 ZINC000066000987 564753623 /nfs/dbraw/zinc/75/36/23/564753623.db2.gz KMXFBCKMEBADSE-UHFFFAOYSA-N 0 0 382.463 3.456 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(C(F)(F)F)cc2)s1 ZINC000066000892 564753812 /nfs/dbraw/zinc/75/38/12/564753812.db2.gz RGDTWBOXDPHUMA-UHFFFAOYSA-N 0 0 396.368 3.032 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)s1 ZINC000066001214 564753928 /nfs/dbraw/zinc/75/39/28/564753928.db2.gz OWEUNGIYJRFQCV-UHFFFAOYSA-N 0 0 378.431 3.167 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)s1 ZINC000066001489 564754153 /nfs/dbraw/zinc/75/41/53/564754153.db2.gz OQNYQQYTRAGXMZ-AWEZNQCLSA-N 0 0 382.463 3.026 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)s1 ZINC000066306223 564761791 /nfs/dbraw/zinc/76/17/91/564761791.db2.gz UYMANPVVIPBVNV-UHFFFAOYSA-N 0 0 389.252 3.170 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000066333746 564762493 /nfs/dbraw/zinc/76/24/93/564762493.db2.gz PTZXWQFKHLVNTA-GFCCVEGCSA-N 0 0 388.854 3.072 10 5 GGBERN CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327494 564762618 /nfs/dbraw/zinc/76/26/18/564762618.db2.gz YTIYLYVTILCKHO-UHFFFAOYSA-N 0 0 376.843 3.009 10 5 GGBERN O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066809371 564775541 /nfs/dbraw/zinc/77/55/41/564775541.db2.gz GISAGHCMOFQKLN-UHFFFAOYSA-N 0 0 381.219 3.259 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000133660155 564781471 /nfs/dbraw/zinc/78/14/71/564781471.db2.gz SPOHWTWKHSVZFU-UHFFFAOYSA-N 0 0 384.219 3.240 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1ccccc1Br ZINC000133709409 564783132 /nfs/dbraw/zinc/78/31/32/564783132.db2.gz HPMUAWBCBZAPKR-SNVBAGLBSA-N 0 0 378.226 3.422 10 5 GGBERN COc1ccc(Br)cc1CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000133735121 564784305 /nfs/dbraw/zinc/78/43/05/564784305.db2.gz SIQAQIARVWJPKH-UHFFFAOYSA-N 0 0 380.198 3.251 10 5 GGBERN Cc1ccc(I)c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000133886505 564787513 /nfs/dbraw/zinc/78/75/13/564787513.db2.gz HJDKCHHLGIISMM-UHFFFAOYSA-N 0 0 397.172 3.464 10 5 GGBERN Cc1csc([C@H](C)NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000067950948 564804228 /nfs/dbraw/zinc/80/42/28/564804228.db2.gz SHDQWDIEBMTQJH-VIFPVBQESA-N 0 0 375.859 3.361 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC[C@H]1CCCC[C@H]1O ZINC000134474197 564804331 /nfs/dbraw/zinc/80/43/31/564804331.db2.gz CCLWGGIJZGEHDW-MLGOLLRUSA-N 0 0 399.285 3.347 10 5 GGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000134580694 564808220 /nfs/dbraw/zinc/80/82/20/564808220.db2.gz LUQVCUTVAGNHEL-XHDPSFHLSA-N 0 0 385.258 3.418 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000135055997 564823307 /nfs/dbraw/zinc/82/33/07/564823307.db2.gz SFBXURMMOKOUHR-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC000135270114 564825947 /nfs/dbraw/zinc/82/59/47/564825947.db2.gz SHLUNEQJAMSHQF-UHFFFAOYSA-N 0 0 393.119 3.029 10 5 GGBERN Cc1ccc(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)cc1[N+](=O)[O-] ZINC000072085538 564861934 /nfs/dbraw/zinc/86/19/34/564861934.db2.gz ZXVHTCNCFLODLW-UHFFFAOYSA-N 0 0 375.431 3.341 10 5 GGBERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000137353345 564862316 /nfs/dbraw/zinc/86/23/16/564862316.db2.gz GEBRVEZDYKPMGZ-NSHDSACASA-N 0 0 381.219 3.305 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000092825933 564880494 /nfs/dbraw/zinc/88/04/94/564880494.db2.gz RUTXWSVGJXPFPG-JTQLQIEISA-N 0 0 393.245 3.063 10 5 GGBERN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000146645340 564881972 /nfs/dbraw/zinc/88/19/72/564881972.db2.gz LWYCGQBSTVCXSH-SECBINFHSA-N 0 0 384.797 3.016 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC[C@H](c3nncn3C3CC3)C2)c(Br)c1 ZINC000092825959 564882353 /nfs/dbraw/zinc/88/23/53/564882353.db2.gz YFGHJXCKLVKBRA-JTQLQIEISA-N 0 0 393.245 3.063 10 5 GGBERN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000150990579 564901059 /nfs/dbraw/zinc/90/10/59/564901059.db2.gz IEISIDCMRSFPLT-ZDUSSCGKSA-N 0 0 384.223 3.085 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)s1 ZINC000098117615 564913002 /nfs/dbraw/zinc/91/30/02/564913002.db2.gz WBZVBBHFFWPTOH-UHFFFAOYSA-N 0 0 381.460 3.258 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2c(Cl)cccc2C1 ZINC000151416656 564918637 /nfs/dbraw/zinc/91/86/37/564918637.db2.gz PIVIFTVKUCAOSU-UHFFFAOYSA-N 0 0 382.825 3.004 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ncc(-c2ccccc2)o1 ZINC000151556050 564926381 /nfs/dbraw/zinc/92/63/81/564926381.db2.gz RXTCSPAABZCGNZ-JTQLQIEISA-N 0 0 379.419 3.351 10 5 GGBERN CN(C)c1ncccc1N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000151672834 564932923 /nfs/dbraw/zinc/93/29/23/564932923.db2.gz IGBYKMGJDUBHON-UHFFFAOYSA-N 0 0 379.214 3.095 10 5 GGBERN CS(=O)(=O)N(Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000103463556 564948532 /nfs/dbraw/zinc/94/85/32/564948532.db2.gz PBOVUNTUWWZHGP-UHFFFAOYSA-N 0 0 385.239 3.324 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3Cl)C2)s1 ZINC000103497035 564949654 /nfs/dbraw/zinc/94/96/54/564949654.db2.gz LWTDTOOWXRIOKA-LBPRGKRZSA-N 0 0 388.854 3.072 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000152550461 564963208 /nfs/dbraw/zinc/96/32/08/564963208.db2.gz XEJNEUIHNKSOHZ-UHFFFAOYSA-N 0 0 383.857 3.448 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000105161290 564963613 /nfs/dbraw/zinc/96/36/13/564963613.db2.gz CHUZNLMHUZHYDU-UHFFFAOYSA-N 0 0 384.841 3.304 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000152781095 564971356 /nfs/dbraw/zinc/97/13/56/564971356.db2.gz PLBAYUGFWGCEBC-ULKQDVFKSA-N 0 0 389.633 3.139 10 5 GGBERN Cc1csc(C2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000153127618 564985239 /nfs/dbraw/zinc/98/52/39/564985239.db2.gz AISUEEDCFYBJTJ-UHFFFAOYSA-N 0 0 381.479 3.069 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107701181 565001488 /nfs/dbraw/zinc/00/14/88/565001488.db2.gz VHIXFFYCMHBTBP-UONOGXRCSA-N 0 0 382.825 3.091 10 5 GGBERN Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000153696157 565006672 /nfs/dbraw/zinc/00/66/72/565006672.db2.gz YMBBRJHQSUWANY-HNNXBMFYSA-N 0 0 381.479 3.199 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCSC[C@@H]2c2ccccc2)c1 ZINC000153918361 565017522 /nfs/dbraw/zinc/01/75/22/565017522.db2.gz LOECTAWDWAAMBL-QGZVFWFLSA-N 0 0 378.475 3.215 10 5 GGBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154015949 565021985 /nfs/dbraw/zinc/02/19/85/565021985.db2.gz HDJTZBUCJHKWEY-SECBINFHSA-N 0 0 395.257 3.069 10 5 GGBERN COc1cccc([C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CCO2)c1 ZINC000154122553 565026944 /nfs/dbraw/zinc/02/69/44/565026944.db2.gz CWWLKAVYDLEZLS-OAHLLOKOSA-N 0 0 394.225 3.339 10 5 GGBERN CCCc1n[nH]c(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000109619469 565028549 /nfs/dbraw/zinc/02/85/49/565028549.db2.gz QITJKNICAYBKCX-JTQLQIEISA-N 0 0 395.257 3.394 10 5 GGBERN Cc1ccc(I)c(C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000154327772 565034285 /nfs/dbraw/zinc/03/42/85/565034285.db2.gz YEUVZLSNNCHWNC-UHFFFAOYSA-N 0 0 396.184 3.438 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000154443857 565039093 /nfs/dbraw/zinc/03/90/93/565039093.db2.gz VMNGRPAEOFKMFK-SWLSCSKDSA-N 0 0 397.225 3.279 10 5 GGBERN CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000154682600 565048892 /nfs/dbraw/zinc/04/88/92/565048892.db2.gz LJWBGFSVBNUCTK-GFCCVEGCSA-N 0 0 383.495 3.445 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000154734347 565050983 /nfs/dbraw/zinc/05/09/83/565050983.db2.gz MCCSINBAADAKKE-ZDUSSCGKSA-N 0 0 379.463 3.377 10 5 GGBERN Cc1csc([C@@H]2CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000155032817 565059849 /nfs/dbraw/zinc/05/98/49/565059849.db2.gz JVUGOFOVMODKSO-CQSZACIVSA-N 0 0 381.479 3.069 10 5 GGBERN C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc2O1 ZINC000155109755 565061698 /nfs/dbraw/zinc/06/16/98/565061698.db2.gz USKLKTTZMCWWRG-LLVKDONJSA-N 0 0 382.825 3.366 10 5 GGBERN CO[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000155132686 565062659 /nfs/dbraw/zinc/06/26/59/565062659.db2.gz JYUYVEBMMQALAT-INIZCTEOSA-N 0 0 384.841 3.055 10 5 GGBERN CC(C)c1cc(Br)ccc1OC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000155469665 565068271 /nfs/dbraw/zinc/06/82/71/565068271.db2.gz GRMZMOSWMOLIPV-CYBMUJFWSA-N 0 0 384.230 3.117 10 5 GGBERN CC(C)N(CCc1nccs1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000155577366 565069333 /nfs/dbraw/zinc/06/93/33/565069333.db2.gz OCRODGZATBMTED-UHFFFAOYSA-N 0 0 389.886 3.347 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CCc1nccs1)C(C)C ZINC000155602594 565069854 /nfs/dbraw/zinc/06/98/54/565069854.db2.gz WOSNJHUJRZOHKK-UHFFFAOYSA-N 0 0 383.495 3.310 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000155789325 565071515 /nfs/dbraw/zinc/07/15/15/565071515.db2.gz YRSGYCYNUDDDPX-UHFFFAOYSA-N 0 0 384.219 3.030 10 5 GGBERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000113944686 565071590 /nfs/dbraw/zinc/07/15/90/565071590.db2.gz STJDRPDWLGKFDF-LBPRGKRZSA-N 0 0 381.479 3.182 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155835422 565072063 /nfs/dbraw/zinc/07/20/63/565072063.db2.gz CVMBNJMHXOJIMX-UHFFFAOYSA-N 0 0 384.454 3.217 10 5 GGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000114107046 565072266 /nfs/dbraw/zinc/07/22/66/565072266.db2.gz SPIJUAWPIJOHPS-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN O=[N+]([O-])c1cc(Cn2nnc(Cc3ccccc3Br)n2)cs1 ZINC000156273352 565076017 /nfs/dbraw/zinc/07/60/17/565076017.db2.gz NFOGGSNNHPJXCX-UHFFFAOYSA-N 0 0 380.227 3.044 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2CCOCC2)s1 ZINC000369336807 565087799 /nfs/dbraw/zinc/08/77/99/565087799.db2.gz DIFDEZCHSXYDGX-MRXNPFEDSA-N 0 0 382.463 3.103 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCOCC2)s1 ZINC000369336806 565088517 /nfs/dbraw/zinc/08/85/17/565088517.db2.gz DIFDEZCHSXYDGX-INIZCTEOSA-N 0 0 382.463 3.103 10 5 GGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000156564739 565095165 /nfs/dbraw/zinc/09/51/65/565095165.db2.gz YTTGIGPNZFVXMW-VHSXEESVSA-N 0 0 388.205 3.460 10 5 GGBERN CCC1(CC)CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000183871221 565100010 /nfs/dbraw/zinc/10/00/10/565100010.db2.gz LTDNTNDPYRRBEL-SHZVTRLKSA-N 0 0 384.523 3.225 10 5 GGBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1ccc([N+](=O)[O-])cc1Br ZINC000156704331 565102502 /nfs/dbraw/zinc/10/25/02/565102502.db2.gz KRFRIIOXOSVHAV-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN CCCN(CCc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000184056801 565112515 /nfs/dbraw/zinc/11/25/15/565112515.db2.gz BNKBFLDXHDGGRQ-UHFFFAOYSA-N 0 0 384.479 3.308 10 5 GGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(c2ncc[nH]2)CC1 ZINC000267952347 565135757 /nfs/dbraw/zinc/13/57/57/565135757.db2.gz WTSRKKAWXGLEDX-UHFFFAOYSA-N 0 0 397.204 3.239 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H](Cc2ccccc2)C1 ZINC000370306134 565136819 /nfs/dbraw/zinc/13/68/19/565136819.db2.gz SKVMEGPVBUWQNR-ZDUSSCGKSA-N 0 0 390.237 3.457 10 5 GGBERN C[C@]12CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C[C@H]1C2(F)F ZINC000292922862 565141108 /nfs/dbraw/zinc/14/11/08/565141108.db2.gz SLQUIVVULOQLNF-YPMHNXCESA-N 0 0 375.169 3.475 10 5 GGBERN CCOc1ccc(C(=O)N2CCSC[C@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000184559764 565143668 /nfs/dbraw/zinc/14/36/68/565143668.db2.gz XYSAHZMOBQTJGP-ZDUSSCGKSA-N 0 0 379.463 3.380 10 5 GGBERN CCOc1ccc(C(=O)N2CCSC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000184559744 565144521 /nfs/dbraw/zinc/14/45/21/565144521.db2.gz XYSAHZMOBQTJGP-CYBMUJFWSA-N 0 0 379.463 3.380 10 5 GGBERN O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000371308365 565186504 /nfs/dbraw/zinc/18/65/04/565186504.db2.gz NRUCBDVDHLTGJG-QMMMGPOBSA-N 0 0 399.632 3.021 10 5 GGBERN CSc1ccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1[N+](=O)[O-] ZINC000269366073 565186825 /nfs/dbraw/zinc/18/68/25/565186825.db2.gz KQOWEGPMYRTYTL-ZDUSSCGKSA-N 0 0 382.507 3.491 10 5 GGBERN Cc1cc(OCC(=O)N[C@@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000293893385 565189417 /nfs/dbraw/zinc/18/94/17/565189417.db2.gz JNAHATZGEAIQJH-LBPRGKRZSA-N 0 0 375.328 3.158 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000269409603 565189738 /nfs/dbraw/zinc/18/97/38/565189738.db2.gz VEGZBASAFJFJRP-ZDUSSCGKSA-N 0 0 382.507 3.248 10 5 GGBERN COc1cc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000293979211 565193088 /nfs/dbraw/zinc/19/30/88/565193088.db2.gz RLGPCZGDNZOAGL-LLVKDONJSA-N 0 0 375.328 3.402 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2Cc3cccc(Br)c3C2)s1 ZINC000185300655 565194662 /nfs/dbraw/zinc/19/46/62/565194662.db2.gz GXYGLJATSMNVHF-UHFFFAOYSA-N 0 0 389.252 3.123 10 5 GGBERN Cc1ccnc(C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)n1 ZINC000371830484 565211572 /nfs/dbraw/zinc/21/15/72/565211572.db2.gz ZKRCDDIPEQVZCA-UHFFFAOYSA-N 0 0 378.230 3.235 10 5 GGBERN COC[C@H]1CCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000294511345 565215157 /nfs/dbraw/zinc/21/51/57/565215157.db2.gz YKSXBWCZPVVXLT-GFCCVEGCSA-N 0 0 379.463 3.372 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)n1 ZINC000372002332 565219014 /nfs/dbraw/zinc/21/90/14/565219014.db2.gz FWTXFTHEUBZVEY-GFCCVEGCSA-N 0 0 397.204 3.207 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cccc(Br)c3C2)c1 ZINC000185812137 565222464 /nfs/dbraw/zinc/22/24/64/565222464.db2.gz BRIWMSZSHBRTPL-UHFFFAOYSA-N 0 0 397.250 3.104 10 5 GGBERN O=C(NCCC1=CCCC1)c1ccc([N+](=O)[O-])cc1I ZINC000160256248 565237514 /nfs/dbraw/zinc/23/75/14/565237514.db2.gz CHLCLWGPYRZUQF-UHFFFAOYSA-N 0 0 386.189 3.430 10 5 GGBERN CO[C@@H](C)c1noc(CN(C)Cc2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000271207794 565243092 /nfs/dbraw/zinc/24/30/92/565243092.db2.gz KPYYYMBPZJIWRS-VIFPVBQESA-N 0 0 385.218 3.080 10 5 GGBERN COc1c(F)cc(S(=O)(=O)N[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000186236699 565248591 /nfs/dbraw/zinc/24/85/91/565248591.db2.gz LZBZUZXBDGBSNQ-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN COc1c(F)cc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000186237955 565248865 /nfs/dbraw/zinc/24/88/65/565248865.db2.gz LABQTUFDWKBTFJ-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)s1 ZINC000160570482 565250472 /nfs/dbraw/zinc/25/04/72/565250472.db2.gz IRZFEDCWEGBEAU-SNVBAGLBSA-N 0 0 388.854 3.152 10 5 GGBERN CCCN(Cc1ccccc1Br)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271414497 565253487 /nfs/dbraw/zinc/25/34/87/565253487.db2.gz OYHNFFSFCXGOQY-UHFFFAOYSA-N 0 0 381.230 3.143 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2ccsc2)CC1 ZINC000186338685 565256252 /nfs/dbraw/zinc/25/62/52/565256252.db2.gz OOLWVTQNYSAMAN-UHFFFAOYSA-N 0 0 382.463 3.233 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000271607439 565261386 /nfs/dbraw/zinc/26/13/86/565261386.db2.gz JQEGCSPGVOPOAX-SNVBAGLBSA-N 0 0 393.245 3.063 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000271607437 565261503 /nfs/dbraw/zinc/26/15/03/565261503.db2.gz JQEGCSPGVOPOAX-JTQLQIEISA-N 0 0 393.245 3.063 10 5 GGBERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000161001681 565267654 /nfs/dbraw/zinc/26/76/54/565267654.db2.gz WSIWFUYMMXBCLA-MWLCHTKSSA-N 0 0 377.447 3.271 10 5 GGBERN C[C@@H](NC(=O)c1[nH]nc(C2CC2)c1Br)c1ccccc1[N+](=O)[O-] ZINC000271864119 565271272 /nfs/dbraw/zinc/27/12/72/565271272.db2.gz ZQKZAIHTNVBDMW-MRVPVSSYSA-N 0 0 379.214 3.449 10 5 GGBERN Cc1cnc(CCN(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000272381026 565286563 /nfs/dbraw/zinc/28/65/63/565286563.db2.gz VLXYFKXLGFFAIP-UHFFFAOYSA-N 0 0 382.873 3.440 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000161667545 565290425 /nfs/dbraw/zinc/29/04/25/565290425.db2.gz NCSDRZCIEKRFBC-UHFFFAOYSA-N 0 0 388.225 3.187 10 5 GGBERN COc1cc(OC)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1Br ZINC000161979319 565300442 /nfs/dbraw/zinc/30/04/42/565300442.db2.gz SZFGFTPBCVWYSJ-UHFFFAOYSA-N 0 0 396.197 3.330 10 5 GGBERN Cc1cc(C)c(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000273076258 565306761 /nfs/dbraw/zinc/30/67/61/565306761.db2.gz FYCBABBFTGPZRK-UHFFFAOYSA-N 0 0 381.841 3.374 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@]3(CCOC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000373928521 565309908 /nfs/dbraw/zinc/30/99/08/565309908.db2.gz KWZUTOBWZXHCGR-OAHLLOKOSA-N 0 0 384.230 3.310 10 5 GGBERN O=C(NC[C@H]1CCOc2ccccc21)c1cc([N+](=O)[O-])ncc1Br ZINC000374005722 565315015 /nfs/dbraw/zinc/31/50/15/565315015.db2.gz KKNLPFRDFOYYNB-SNVBAGLBSA-N 0 0 392.209 3.048 10 5 GGBERN O=C(NC[C@@H]1CCOc2ccccc21)c1cc([N+](=O)[O-])ncc1Br ZINC000374005721 565315036 /nfs/dbraw/zinc/31/50/36/565315036.db2.gz KKNLPFRDFOYYNB-JTQLQIEISA-N 0 0 392.209 3.048 10 5 GGBERN CN(C[C@H]1CCCCO1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296521182 565321754 /nfs/dbraw/zinc/32/17/54/565321754.db2.gz CFGSXVQFIJDQKT-SECBINFHSA-N 0 0 383.253 3.091 10 5 GGBERN CCC1(CC)CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[S@]1=O ZINC000187557168 565340674 /nfs/dbraw/zinc/34/06/74/565340674.db2.gz GPOAQJCPUNFDIA-RUZDIDTESA-N 0 0 376.425 3.319 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000163428603 565346544 /nfs/dbraw/zinc/34/65/44/565346544.db2.gz ZRBJURPJFNIXKC-GHMZBOCLSA-N 0 0 378.372 3.424 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374709577 565351630 /nfs/dbraw/zinc/35/16/30/565351630.db2.gz JSEGKWKCSZTTOU-ZDUSSCGKSA-N 0 0 390.237 3.457 10 5 GGBERN CC[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H](O)C(F)F ZINC000297131350 565357661 /nfs/dbraw/zinc/35/76/61/565357661.db2.gz OIDFAIQTGXTTBJ-LDYMZIIASA-N 0 0 396.188 3.192 10 5 GGBERN COC(=O)c1cc(NC(=O)c2csc(C(F)(F)F)n2)cc([N+](=O)[O-])c1 ZINC000187998594 565370048 /nfs/dbraw/zinc/37/00/48/565370048.db2.gz PZXKJVAIZYWCTO-UHFFFAOYSA-N 0 0 375.284 3.109 10 5 GGBERN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274737841 565379962 /nfs/dbraw/zinc/37/99/62/565379962.db2.gz JHRKDXBWFOGSDH-GFCCVEGCSA-N 0 0 395.257 3.184 10 5 GGBERN O=C(CSc1nnc(C(F)(F)F)s1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000188195601 565387141 /nfs/dbraw/zinc/38/71/41/565387141.db2.gz KUFITYDKNHHPQG-UHFFFAOYSA-N 0 0 390.368 3.147 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000170806107 565393378 /nfs/dbraw/zinc/39/33/78/565393378.db2.gz NVMPCALLZZYPOT-HNNXBMFYSA-N 0 0 376.210 3.478 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000375522993 565393548 /nfs/dbraw/zinc/39/35/48/565393548.db2.gz JOWPWICTUALOKH-SNVBAGLBSA-N 0 0 394.229 3.492 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000375522983 565393593 /nfs/dbraw/zinc/39/35/93/565393593.db2.gz JOWPWICTUALOKH-JTQLQIEISA-N 0 0 394.229 3.492 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000375539652 565394628 /nfs/dbraw/zinc/39/46/28/565394628.db2.gz KKQKZSTZTRWBHR-UHFFFAOYSA-N 0 0 393.197 3.048 10 5 GGBERN Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000375579234 565395260 /nfs/dbraw/zinc/39/52/60/565395260.db2.gz UOSAVTGHXSUDTJ-GFCCVEGCSA-N 0 0 379.214 3.149 10 5 GGBERN CO[C@H](C)[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000188334346 565395308 /nfs/dbraw/zinc/39/53/08/565395308.db2.gz YJIAXJPNOBEGEO-DTWKUNHWSA-N 0 0 387.223 3.241 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCOC2 ZINC000375560764 565395526 /nfs/dbraw/zinc/39/55/26/565395526.db2.gz MMWVHHKKFBSVLR-OAHLLOKOSA-N 0 0 384.230 3.392 10 5 GGBERN Cc1sc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000298402244 565412122 /nfs/dbraw/zinc/41/21/22/565412122.db2.gz UKQCPCRLQKXMDE-JTQLQIEISA-N 0 0 382.463 3.201 10 5 GGBERN O=[N+]([O-])c1ccc(NCc2nnc(-c3ccc(Br)cc3)[nH]2)nc1 ZINC000171233211 565420356 /nfs/dbraw/zinc/42/03/56/565420356.db2.gz PDUNFOXRWJQCSC-UHFFFAOYSA-N 0 0 375.186 3.150 10 5 GGBERN O=[N+]([O-])c1cccnc1NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000171233221 565420588 /nfs/dbraw/zinc/42/05/88/565420588.db2.gz MFGBMALUPUQAGZ-UHFFFAOYSA-N 0 0 375.186 3.150 10 5 GGBERN CCN([C@H](C)Cc1ccsc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000188762259 565422110 /nfs/dbraw/zinc/42/21/10/565422110.db2.gz LRLQSERNRCREFL-GFCCVEGCSA-N 0 0 384.479 3.307 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000275823138 565428242 /nfs/dbraw/zinc/42/82/42/565428242.db2.gz DWLPXGCPKKNANZ-SNVBAGLBSA-N 0 0 379.766 3.171 10 5 GGBERN CCc1n[nH]c(C(=O)N[C@H](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000171399919 565429274 /nfs/dbraw/zinc/42/92/74/565429274.db2.gz UTXGVQLEJDGHNT-SECBINFHSA-N 0 0 381.230 3.004 10 5 GGBERN COC(=O)CCc1csc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000275894374 565430764 /nfs/dbraw/zinc/43/07/64/565430764.db2.gz SDYKZIACVPCPPU-UHFFFAOYSA-N 0 0 383.813 3.371 10 5 GGBERN CSc1ccc(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)cc1[N+](=O)[O-] ZINC000376398406 565434309 /nfs/dbraw/zinc/43/43/09/565434309.db2.gz MERIFOUXKWKHLS-UHFFFAOYSA-N 0 0 376.423 3.119 10 5 GGBERN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1C ZINC000298954066 565435483 /nfs/dbraw/zinc/43/54/83/565435483.db2.gz LCZRQXPXIYPNNT-UHFFFAOYSA-N 0 0 383.451 3.287 10 5 GGBERN CSc1cccc(C(=O)Nc2c[nH]cc(Br)c2=O)c1[N+](=O)[O-] ZINC000189054398 565441246 /nfs/dbraw/zinc/44/12/46/565441246.db2.gz YQZHIBWGWGXLKK-UHFFFAOYSA-N 0 0 384.211 3.432 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2nccs2)c2ccccc2)s1 ZINC000171713114 565446534 /nfs/dbraw/zinc/44/65/34/565446534.db2.gz HJUCFBISJANSCN-ZDUSSCGKSA-N 0 0 381.460 3.181 10 5 GGBERN O=C(N[C@@H]1CCCOc2ccccc21)c1cc([N+](=O)[O-])ncc1Br ZINC000376673247 565448185 /nfs/dbraw/zinc/44/81/85/565448185.db2.gz QQOANELENIKGAR-CYBMUJFWSA-N 0 0 392.209 3.396 10 5 GGBERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000171825056 565453225 /nfs/dbraw/zinc/45/32/25/565453225.db2.gz PUPNFSKURIBRJK-QWRGUYRKSA-N 0 0 379.463 3.200 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000189256492 565454545 /nfs/dbraw/zinc/45/45/45/565454545.db2.gz WROWINAGMULOKV-UHFFFAOYSA-N 0 0 395.209 3.061 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000189255417 565454755 /nfs/dbraw/zinc/45/47/55/565454755.db2.gz UBTALJCTHFNGCR-UHFFFAOYSA-N 0 0 395.209 3.061 10 5 GGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1[nH]nc2ccc(Br)cc21 ZINC000171961812 565460766 /nfs/dbraw/zinc/46/07/66/565460766.db2.gz QQMITBGVNYDNJQ-UHFFFAOYSA-N 0 0 375.182 3.164 10 5 GGBERN COc1ccc(F)cc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000189365642 565461760 /nfs/dbraw/zinc/46/17/60/565461760.db2.gz IOPVHROUHPTZKU-UHFFFAOYSA-N 0 0 397.200 3.364 10 5 GGBERN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000301073036 565462791 /nfs/dbraw/zinc/46/27/91/565462791.db2.gz WWZHEZFKKGKHCQ-MRXNPFEDSA-N 0 0 381.841 3.459 10 5 GGBERN CN(C)c1ncccc1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000301067602 565463085 /nfs/dbraw/zinc/46/30/85/565463085.db2.gz CDSOBVRDTAORET-UHFFFAOYSA-N 0 0 398.204 3.273 10 5 GGBERN C[C@@H](CCc1ccc(Br)cc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301108448 565464791 /nfs/dbraw/zinc/46/47/91/565464791.db2.gz VASLUKKSRXFWLD-JTQLQIEISA-N 0 0 393.241 3.284 10 5 GGBERN Cc1csc([C@@H]2CCCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)n1 ZINC000301129216 565466058 /nfs/dbraw/zinc/46/60/58/565466058.db2.gz QHSQZEOTVVOYTH-GFCCVEGCSA-N 0 0 381.479 3.147 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1N1CCC[C@H](n2cccn2)C1 ZINC000301151404 565468257 /nfs/dbraw/zinc/46/82/57/565468257.db2.gz DFGPDOAPBXYODV-LBPRGKRZSA-N 0 0 398.204 3.237 10 5 GGBERN CCN(CC)C(=O)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301195015 565472154 /nfs/dbraw/zinc/47/21/54/565472154.db2.gz TZHXCIPKYYKNDU-UHFFFAOYSA-N 0 0 384.274 3.442 10 5 GGBERN C[C@H]1SCCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)[C@@H]1C ZINC000301282717 565477117 /nfs/dbraw/zinc/47/71/17/565477117.db2.gz LHCWVLJMCSCXIG-GHMZBOCLSA-N 0 0 380.857 3.124 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCCC[C@H]1CN1CCOCC1 ZINC000301269887 565477134 /nfs/dbraw/zinc/47/71/34/565477134.db2.gz QOCQKNWHXRTXRX-AWEZNQCLSA-N 0 0 384.274 3.048 10 5 GGBERN CCc1ccc(CN2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)s1 ZINC000301334784 565478917 /nfs/dbraw/zinc/47/89/17/565478917.db2.gz BTPCBGGUIIYOSA-UHFFFAOYSA-N 0 0 377.495 3.250 10 5 GGBERN CNS(=O)(=O)c1ccc(N[C@H]2C[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000301373969 565481328 /nfs/dbraw/zinc/48/13/28/565481328.db2.gz VCEXXGUXBFOZKZ-ZFWWWQNUSA-N 0 0 381.841 3.124 10 5 GGBERN O=C(c1n[nH]c2ccc(Br)cc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172360892 565481257 /nfs/dbraw/zinc/48/12/57/565481257.db2.gz BQOHVEHSUJQJSI-UHFFFAOYSA-N 0 0 387.193 3.437 10 5 GGBERN CCC[C@]1(CO)CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000377529621 565485247 /nfs/dbraw/zinc/48/52/47/565485247.db2.gz FRWWLEZWLDDVMH-HNNXBMFYSA-N 0 0 386.246 3.374 10 5 GGBERN CCN(CC)C(=O)C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301440035 565486546 /nfs/dbraw/zinc/48/65/46/565486546.db2.gz XRSHCUCQAFUDOL-UHFFFAOYSA-N 0 0 384.274 3.442 10 5 GGBERN COc1ccc(Br)cc1Sc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301454518 565487758 /nfs/dbraw/zinc/48/77/58/565487758.db2.gz YIUQBODZECXPSI-UHFFFAOYSA-N 0 0 384.211 3.011 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@@H](CC(F)(F)F)C1 ZINC000277316212 565488930 /nfs/dbraw/zinc/48/89/30/565488930.db2.gz CWQLEINKTYSIIY-QMMMGPOBSA-N 0 0 388.314 3.370 10 5 GGBERN CC(C)c1noc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000172531083 565490484 /nfs/dbraw/zinc/49/04/84/565490484.db2.gz RBSHRNZKBXJRAD-UHFFFAOYSA-N 0 0 397.229 3.226 10 5 GGBERN COc1cc(C(=O)Nc2c[nH]cc(Br)c2=O)cc([N+](=O)[O-])c1C ZINC000189845081 565492186 /nfs/dbraw/zinc/49/21/86/565492186.db2.gz DNUNRAKMJWTNIA-UHFFFAOYSA-N 0 0 382.170 3.027 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000301554707 565495169 /nfs/dbraw/zinc/49/51/69/565495169.db2.gz IAZIRKMQULEQJD-UHFFFAOYSA-N 0 0 377.242 3.387 10 5 GGBERN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000189971538 565499305 /nfs/dbraw/zinc/49/93/05/565499305.db2.gz NRUMFDLYCMMFEW-ZDUSSCGKSA-N 0 0 381.479 3.236 10 5 GGBERN COC(=O)[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301657190 565502215 /nfs/dbraw/zinc/50/22/15/565502215.db2.gz SHENRPDWVJHZDB-KRTXAFLBSA-N 0 0 382.722 3.034 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000301683672 565504501 /nfs/dbraw/zinc/50/45/01/565504501.db2.gz UNSRPDMPOLPASL-SNVBAGLBSA-N 0 0 398.648 3.492 10 5 GGBERN COc1ccccc1N1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301679903 565504887 /nfs/dbraw/zinc/50/48/87/565504887.db2.gz SEJDXVJTLUUCLM-GFCCVEGCSA-N 0 0 393.241 3.452 10 5 GGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301697072 565506121 /nfs/dbraw/zinc/50/61/21/565506121.db2.gz QFUXEYOEPYPAPF-LLVKDONJSA-N 0 0 399.289 3.129 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3cc(F)cc(Br)c3)cc2N1 ZINC000301703380 565506134 /nfs/dbraw/zinc/50/61/34/565506134.db2.gz UOWZTIUHGHHFJZ-UHFFFAOYSA-N 0 0 396.172 3.439 10 5 GGBERN Cc1ccc(C)c(S(=O)(=O)N(CCc2nccs2)C(C)C)c1[N+](=O)[O-] ZINC000190086019 565507651 /nfs/dbraw/zinc/50/76/51/565507651.db2.gz GDVIIVFEZXZFPE-UHFFFAOYSA-N 0 0 383.495 3.310 10 5 GGBERN CSc1ccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277591282 565508897 /nfs/dbraw/zinc/50/88/97/565508897.db2.gz NDHCKOAYNXBIDI-GXFFZTMASA-N 0 0 378.372 3.092 10 5 GGBERN O=C1CCC(=O)N1C1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301809328 565510328 /nfs/dbraw/zinc/51/03/28/565510328.db2.gz AZCNFUVTGRMNLC-UHFFFAOYSA-N 0 0 396.241 3.229 10 5 GGBERN CS(=O)(=O)c1cc(NCc2sccc2Br)ccc1[N+](=O)[O-] ZINC000301800009 565511191 /nfs/dbraw/zinc/51/11/91/565511191.db2.gz RTEILJOBRLEKSP-UHFFFAOYSA-N 0 0 391.268 3.434 10 5 GGBERN O=C1CCC(=O)N1C1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301814830 565511676 /nfs/dbraw/zinc/51/16/76/565511676.db2.gz CULXLJYBXUBFTB-UHFFFAOYSA-N 0 0 396.241 3.229 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1NC1CCN(c2ccccn2)CC1 ZINC000301847598 565514258 /nfs/dbraw/zinc/51/42/58/565514258.db2.gz VANLEQGFYBMPIU-UHFFFAOYSA-N 0 0 378.230 3.228 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cc(Cl)ccc2C1 ZINC000190205976 565515002 /nfs/dbraw/zinc/51/50/02/565515002.db2.gz KOHBYLCFVZSORA-UHFFFAOYSA-N 0 0 382.825 3.004 10 5 GGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000172957841 565516114 /nfs/dbraw/zinc/51/61/14/565516114.db2.gz SZCVMTHJBWNCFN-UHFFFAOYSA-N 0 0 379.869 3.197 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000301896301 565516324 /nfs/dbraw/zinc/51/63/24/565516324.db2.gz YYSOONPSTYLJRH-CQSZACIVSA-N 0 0 380.198 3.036 10 5 GGBERN NC(=O)c1[nH]nc2ccc(Nc3ccc(Br)cc3[N+](=O)[O-])cc21 ZINC000301886863 565516739 /nfs/dbraw/zinc/51/67/39/565516739.db2.gz QLBDCACHJIBBHX-UHFFFAOYSA-N 0 0 376.170 3.076 10 5 GGBERN CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1csc([N+](=O)[O-])c1 ZINC000172993153 565517882 /nfs/dbraw/zinc/51/78/82/565517882.db2.gz YLFKFZUUOPWUNN-UHFFFAOYSA-N 0 0 390.870 3.345 10 5 GGBERN NC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000302004497 565524524 /nfs/dbraw/zinc/52/45/24/565524524.db2.gz ZDWRYLBEXWPDEH-LLVKDONJSA-N 0 0 396.216 3.253 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277854463 565525168 /nfs/dbraw/zinc/52/51/68/565525168.db2.gz JOJLZDMVOHIMBG-NOZJJQNGSA-N 0 0 378.372 3.092 10 5 GGBERN O=C1OCCN1c1ccc(CNc2c(Br)cncc2[N+](=O)[O-])cc1 ZINC000302054598 565528326 /nfs/dbraw/zinc/52/83/26/565528326.db2.gz ADBKGVKYNIKHQQ-UHFFFAOYSA-N 0 0 393.197 3.321 10 5 GGBERN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(Cl)cc1Cl ZINC000302082639 565529353 /nfs/dbraw/zinc/52/93/53/565529353.db2.gz JPCBTVLHAQIHHS-UHFFFAOYSA-N 0 0 376.221 3.161 10 5 GGBERN CC1(C)CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000190402997 565529759 /nfs/dbraw/zinc/52/97/59/565529759.db2.gz LCYIBVCSADQUKM-ZDUSSCGKSA-N 0 0 380.388 3.335 10 5 GGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000378529875 565532604 /nfs/dbraw/zinc/53/26/04/565532604.db2.gz CQVDBCDDNORAKF-LBPRGKRZSA-N 0 0 392.209 3.193 10 5 GGBERN COC(=O)c1ccc(F)c(CNc2c(Br)cncc2[N+](=O)[O-])c1 ZINC000302162896 565534166 /nfs/dbraw/zinc/53/41/66/565534166.db2.gz KHAQXGLQBNUTJX-UHFFFAOYSA-N 0 0 384.161 3.290 10 5 GGBERN CC[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1cccc([N+](=O)[O-])c1 ZINC000278062724 565536398 /nfs/dbraw/zinc/53/63/98/565536398.db2.gz UZEJODUNHNEQRY-ZDUSSCGKSA-N 0 0 394.225 3.268 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000378644621 565537181 /nfs/dbraw/zinc/53/71/81/565537181.db2.gz CXNBTMVXCUUODK-SNVBAGLBSA-N 0 0 399.270 3.287 10 5 GGBERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000173213586 565537417 /nfs/dbraw/zinc/53/74/17/565537417.db2.gz RZONVLKFRJDAHL-ZJUUUORDSA-N 0 0 377.260 3.166 10 5 GGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2Br)CC[S@]1=O ZINC000302224428 565537468 /nfs/dbraw/zinc/53/74/68/565537468.db2.gz QFRVEJUKOUCBFI-OAQYLSRUSA-N 0 0 375.288 3.485 10 5 GGBERN COC(=O)c1ccc(F)c(CNc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000302215219 565537588 /nfs/dbraw/zinc/53/75/88/565537588.db2.gz ZWHVGXMJACPTJF-UHFFFAOYSA-N 0 0 384.161 3.290 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC([C@H]3CCCO3)CC2)c1 ZINC000190513659 565537943 /nfs/dbraw/zinc/53/79/43/565537943.db2.gz LLPIIDVTCFLYDH-CQSZACIVSA-N 0 0 388.873 3.136 10 5 GGBERN COc1cc(N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)ncn1 ZINC000302370065 565539612 /nfs/dbraw/zinc/53/96/12/565539612.db2.gz GJCYBCODGHZBNF-UHFFFAOYSA-N 0 0 384.223 3.027 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000302395358 565540624 /nfs/dbraw/zinc/54/06/24/565540624.db2.gz JAQAPCFZVOGYNZ-UHFFFAOYSA-N 0 0 392.257 3.284 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190594407 565544999 /nfs/dbraw/zinc/54/49/99/565544999.db2.gz HZBWGBZFQVCDMH-UHFFFAOYSA-N 0 0 378.182 3.100 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NC1CCC(Oc2cnccn2)CC1 ZINC000302583296 565546581 /nfs/dbraw/zinc/54/65/81/565546581.db2.gz UKOYYNPDBMJLKQ-UHFFFAOYSA-N 0 0 394.229 3.344 10 5 GGBERN CN(Cc1ccc(F)cc1Br)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302723377 565552270 /nfs/dbraw/zinc/55/22/70/565552270.db2.gz NHHIVZKMJHABNG-UHFFFAOYSA-N 0 0 380.177 3.176 10 5 GGBERN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(Br)n1 ZINC000302745289 565554220 /nfs/dbraw/zinc/55/42/20/565554220.db2.gz FAKYDCZPKJYYCV-UHFFFAOYSA-N 0 0 387.211 3.257 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1NCc1ccn(Cc2ccccc2)n1 ZINC000390086931 565556474 /nfs/dbraw/zinc/55/64/74/565556474.db2.gz GPTZRCBBLPVGSH-UHFFFAOYSA-N 0 0 388.225 3.031 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000278408831 565556753 /nfs/dbraw/zinc/55/67/53/565556753.db2.gz YJZWXPZTGLTQSG-ZANVPECISA-N 0 0 380.750 3.332 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278408825 565556949 /nfs/dbraw/zinc/55/69/49/565556949.db2.gz YJZWXPZTGLTQSG-NOZJJQNGSA-N 0 0 380.750 3.332 10 5 GGBERN O=C(NCCNc1cc(F)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000302794274 565557078 /nfs/dbraw/zinc/55/70/78/565557078.db2.gz IIDUQTMSKIQPME-UHFFFAOYSA-N 0 0 382.189 3.338 10 5 GGBERN C[C@@H]1COCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000278462256 565560217 /nfs/dbraw/zinc/56/02/17/565560217.db2.gz JDJUHPLRFUGREZ-XCBNKYQSSA-N 0 0 377.622 3.166 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000173507109 565561978 /nfs/dbraw/zinc/56/19/78/565561978.db2.gz SLRZDTFKOFGHQF-UHFFFAOYSA-N 0 0 385.442 3.061 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)n1 ZINC000278507405 565563875 /nfs/dbraw/zinc/56/38/75/565563875.db2.gz DPPVNFJAQSLCQY-UHFFFAOYSA-N 0 0 383.235 3.487 10 5 GGBERN C[C@H]1COCC[C@@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000278553568 565565848 /nfs/dbraw/zinc/56/58/48/565565848.db2.gz OTYBFPLWXAFNTB-ONGXEEELSA-N 0 0 378.372 3.247 10 5 GGBERN Cc1cccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1Br ZINC000190972687 565573272 /nfs/dbraw/zinc/57/32/72/565573272.db2.gz XFYWBRCZSZYPOH-UHFFFAOYSA-N 0 0 399.266 3.285 10 5 GGBERN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1Cl ZINC000173709449 565578428 /nfs/dbraw/zinc/57/84/28/565578428.db2.gz KZLSGGOWPSTJOG-VIFPVBQESA-N 0 0 376.843 3.056 10 5 GGBERN Cc1cc(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(C)c1O ZINC000191065632 565580898 /nfs/dbraw/zinc/58/08/98/565580898.db2.gz JFGPYWZDBRVSEH-UHFFFAOYSA-N 0 0 384.841 3.092 10 5 GGBERN Cn1ncc(Br)c1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278876099 565582945 /nfs/dbraw/zinc/58/29/45/565582945.db2.gz ZBZHLMCQOJGWLQ-UHFFFAOYSA-N 0 0 393.163 3.399 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC12CCC2 ZINC000407979203 565589986 /nfs/dbraw/zinc/58/99/86/565589986.db2.gz SDCPQPWKTXBCNT-UHFFFAOYSA-N 0 0 386.189 3.276 10 5 GGBERN CCc1cnc(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000173814771 565590071 /nfs/dbraw/zinc/59/00/71/565590071.db2.gz MUHQKTXXLPPJJU-UHFFFAOYSA-N 0 0 375.859 3.054 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408004230 565590503 /nfs/dbraw/zinc/59/05/03/565590503.db2.gz KWCTZEZHPQKIBW-SJKOYZFVSA-N 0 0 397.269 3.433 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000408001834 565591229 /nfs/dbraw/zinc/59/12/29/565591229.db2.gz BDWDNKQIGANYGI-NHYWBVRUSA-N 0 0 383.242 3.307 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CSc3ccccc3)C2)s1 ZINC000173862394 565594263 /nfs/dbraw/zinc/59/42/63/565594263.db2.gz XFWZCEYNDYHYKB-LBPRGKRZSA-N 0 0 384.504 3.459 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](C3CCCCC3)C2)c(Cl)c1 ZINC000408212047 565598982 /nfs/dbraw/zinc/59/89/82/565598982.db2.gz TXVSOASQSREIJN-OAHLLOKOSA-N 0 0 388.873 3.218 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000408208740 565599268 /nfs/dbraw/zinc/59/92/68/565599268.db2.gz ALZKPMLBNSEQIT-HNNXBMFYSA-N 0 0 388.873 3.218 10 5 GGBERN C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2O1 ZINC000173927552 565599556 /nfs/dbraw/zinc/59/95/56/565599556.db2.gz GRYDMVAKOGXSTD-LLVKDONJSA-N 0 0 382.825 3.366 10 5 GGBERN C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000408300577 565603323 /nfs/dbraw/zinc/60/33/23/565603323.db2.gz IRTCWRLGVAHCPU-SECBINFHSA-N 0 0 377.260 3.166 10 5 GGBERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1Br ZINC000174052854 565608930 /nfs/dbraw/zinc/60/89/30/565608930.db2.gz RQDHGKYMDQSGAK-CABCVRRESA-N 0 0 393.241 3.468 10 5 GGBERN Cc1cc(NCc2cccnc2-n2cncn2)c(Br)cc1[N+](=O)[O-] ZINC000191511388 565609160 /nfs/dbraw/zinc/60/91/60/565609160.db2.gz ADZUEYYIOLVXOJ-UHFFFAOYSA-N 0 0 389.213 3.254 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccccc2Br)n1 ZINC000191502525 565609415 /nfs/dbraw/zinc/60/94/15/565609415.db2.gz MYNZKZBVHZEBKZ-JTQLQIEISA-N 0 0 381.230 3.407 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)n1 ZINC000191568869 565613737 /nfs/dbraw/zinc/61/37/37/565613737.db2.gz VXLHSOWHWTVZSS-NSHDSACASA-N 0 0 395.257 3.325 10 5 GGBERN CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000191648397 565619607 /nfs/dbraw/zinc/61/96/07/565619607.db2.gz AIUCUWYXHXMYPI-ZETCQYMHSA-N 0 0 377.348 3.168 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccccc2Br)n1 ZINC000191689454 565621310 /nfs/dbraw/zinc/62/13/10/565621310.db2.gz VSQSFEBKKBCANP-UHFFFAOYSA-N 0 0 381.230 3.239 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(Br)c(F)c2)n1 ZINC000191699323 565621761 /nfs/dbraw/zinc/62/17/61/565621761.db2.gz GUZKWFFJIBQSEA-UHFFFAOYSA-N 0 0 375.129 3.104 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2C(C)=O)n1 ZINC000191707403 565623007 /nfs/dbraw/zinc/62/30/07/565623007.db2.gz XNYUYXVSPASLAU-UHFFFAOYSA-N 0 0 381.186 3.029 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)n1 ZINC000191721799 565625134 /nfs/dbraw/zinc/62/51/34/565625134.db2.gz NMZBUDKTYZHYAX-VIFPVBQESA-N 0 0 397.229 3.073 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(F)c2Br)n1 ZINC000191720783 565625172 /nfs/dbraw/zinc/62/51/72/565625172.db2.gz CHMZGGMHOPUGRO-UHFFFAOYSA-N 0 0 375.129 3.104 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000327206663 565628208 /nfs/dbraw/zinc/62/82/08/565628208.db2.gz NINOSPNOWCNVSH-HNNXBMFYSA-N 0 0 381.841 3.105 10 5 GGBERN CO[C@H]1CC[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000191764031 565630097 /nfs/dbraw/zinc/63/00/97/565630097.db2.gz MGNAXXJISALKFO-QWRGUYRKSA-N 0 0 378.372 3.389 10 5 GGBERN O=[N+]([O-])c1cnc(NCc2ccc(I)cc2Cl)s1 ZINC000409641671 565630605 /nfs/dbraw/zinc/63/06/05/565630605.db2.gz ZPVZCJFCWVEGRE-UHFFFAOYSA-N 0 0 395.609 3.343 10 5 GGBERN O=C(NCC1(CO)CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000279764073 565632834 /nfs/dbraw/zinc/63/28/34/565632834.db2.gz USJQMIVLVUBKKZ-UHFFFAOYSA-N 0 0 383.242 3.030 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCC[C@@H]1C(F)F ZINC000409907605 565648822 /nfs/dbraw/zinc/64/88/22/565648822.db2.gz RGJLQIYVOWADAB-SECBINFHSA-N 0 0 399.213 3.166 10 5 GGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ncccn3)C2)c(Br)c1 ZINC000174690122 565652407 /nfs/dbraw/zinc/65/24/07/565652407.db2.gz CYOYWCDDISUXIQ-NSHDSACASA-N 0 0 378.230 3.228 10 5 GGBERN O=C(NCc1cc(Cl)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000410051703 565661397 /nfs/dbraw/zinc/66/13/97/565661397.db2.gz JMVRBFZOPLMIEH-UHFFFAOYSA-N 0 0 381.841 3.076 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2cc[nH]n2)CC1 ZINC000192354431 565682007 /nfs/dbraw/zinc/68/20/07/565682007.db2.gz WFAIOOQNOPIPHR-UHFFFAOYSA-N 0 0 379.214 3.100 10 5 GGBERN Cc1c(NC(=O)N[C@H](C)c2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000280642176 565686215 /nfs/dbraw/zinc/68/62/15/565686215.db2.gz BGDFPCBSGYTNMG-SECBINFHSA-N 0 0 382.218 3.282 10 5 GGBERN Cc1c(NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)cc(Br)cc1[N+](=O)[O-] ZINC000280632619 565686293 /nfs/dbraw/zinc/68/62/93/565686293.db2.gz AKLLZQMUCFXBKB-HZMBPMFUSA-N 0 0 386.246 3.290 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CCC[C@@H]2CCO)cc(Br)cc1[N+](=O)[O-] ZINC000280684186 565687994 /nfs/dbraw/zinc/68/79/94/565687994.db2.gz GDVNWHQXCDYQPP-PWSUYJOCSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)cc(Br)cc1[N+](=O)[O-] ZINC000280734032 565692045 /nfs/dbraw/zinc/69/20/45/565692045.db2.gz KTOWAMIEJPWFJU-BXKDBHETSA-N 0 0 386.246 3.433 10 5 GGBERN Cc1c(NC(=O)N(C)Cc2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000280746019 565692054 /nfs/dbraw/zinc/69/20/54/565692054.db2.gz MEMTZUCWQPNLOI-UHFFFAOYSA-N 0 0 382.218 3.063 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)n1 ZINC000280754463 565693694 /nfs/dbraw/zinc/69/36/94/565693694.db2.gz QDSACMBXPDOOIV-GFCCVEGCSA-N 0 0 397.204 3.207 10 5 GGBERN Cc1c(NC(=O)NC[C@@](C)(O)c2ccco2)cc(Br)cc1[N+](=O)[O-] ZINC000280749713 565693823 /nfs/dbraw/zinc/69/38/23/565693823.db2.gz MKEAJUIHTDMIAR-OAHLLOKOSA-N 0 0 398.213 3.288 10 5 GGBERN Cc1ccc([C@@H](O)CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)o1 ZINC000280756298 565693926 /nfs/dbraw/zinc/69/39/26/565693926.db2.gz NBLVTYJZXDQYON-ZDUSSCGKSA-N 0 0 398.213 3.422 10 5 GGBERN Cc1nc(C(C)(C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)no1 ZINC000280768606 565694315 /nfs/dbraw/zinc/69/43/15/565694315.db2.gz ODLRWJKGQXSRHO-UHFFFAOYSA-N 0 0 398.217 3.414 10 5 GGBERN COCCn1ccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000280806023 565696684 /nfs/dbraw/zinc/69/66/84/565696684.db2.gz RWCRREDNEJMJNI-UHFFFAOYSA-N 0 0 398.217 3.153 10 5 GGBERN Cc1c(NC(=O)N[C@H](C)Cn2ccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000280813378 565698174 /nfs/dbraw/zinc/69/81/74/565698174.db2.gz SQPPAUKELRTZCC-SECBINFHSA-N 0 0 382.218 3.072 10 5 GGBERN CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280838894 565698927 /nfs/dbraw/zinc/69/89/27/565698927.db2.gz YPHPCZHHCCAYFR-CYBMUJFWSA-N 0 0 398.257 3.395 10 5 GGBERN Cc1c(NC(=O)CCNC(=O)C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280825210 565699413 /nfs/dbraw/zinc/69/94/13/565699413.db2.gz XBWZNJZBJKZDMH-UHFFFAOYSA-N 0 0 386.246 3.157 10 5 GGBERN Cc1nc(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)no1 ZINC000280852358 565699993 /nfs/dbraw/zinc/69/99/93/565699993.db2.gz XGPFXCPVERSMMG-UHFFFAOYSA-N 0 0 384.190 3.021 10 5 GGBERN Cc1c(NC(=O)N[C@@H](C)Cn2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000280845672 565700191 /nfs/dbraw/zinc/70/01/91/565700191.db2.gz WSMFYWDFSVFNOX-VIFPVBQESA-N 0 0 382.218 3.072 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOC[C@H]1CC1CCC1 ZINC000410996345 565703690 /nfs/dbraw/zinc/70/36/90/565703690.db2.gz KTOANVAIAQNJMV-CYBMUJFWSA-N 0 0 383.242 3.389 10 5 GGBERN CCNc1ccc(C(=O)NCc2nc(C)c(Br)s2)cc1[N+](=O)[O-] ZINC000411016037 565704418 /nfs/dbraw/zinc/70/44/18/565704418.db2.gz GZPLFTPWBNMUMQ-UHFFFAOYSA-N 0 0 399.270 3.484 10 5 GGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000281013865 565708017 /nfs/dbraw/zinc/70/80/17/565708017.db2.gz BQPBQBJQMULJBX-HNNXBMFYSA-N 0 0 393.241 3.458 10 5 GGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000281006830 565708205 /nfs/dbraw/zinc/70/82/05/565708205.db2.gz DUYFEHGEXYCPQI-CYBMUJFWSA-N 0 0 393.241 3.458 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000330477759 565708888 /nfs/dbraw/zinc/70/88/88/565708888.db2.gz WSUNOTSVJZMEKU-WCBMZHEXSA-N 0 0 384.230 3.442 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3ccc(Br)c(C)c32)n1 ZINC000411091053 565710500 /nfs/dbraw/zinc/71/05/00/565710500.db2.gz IXSVEZDUCQDTSP-UHFFFAOYSA-N 0 0 393.241 3.475 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC2CC1(C(F)(F)F)C2 ZINC000411109952 565711912 /nfs/dbraw/zinc/71/19/12/565711912.db2.gz CKGQOVQRTWNIHG-UHFFFAOYSA-N 0 0 393.159 3.453 10 5 GGBERN CCN(C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1)CC(F)(F)F ZINC000175652303 565713915 /nfs/dbraw/zinc/71/39/15/565713915.db2.gz UMHADWIRGPUDKT-LLVKDONJSA-N 0 0 379.404 3.311 10 5 GGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000330859778 565726390 /nfs/dbraw/zinc/72/63/90/565726390.db2.gz RIYPEGKENKFPLL-JSGCOSHPSA-N 0 0 385.258 3.226 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(Br)ccc1F ZINC000193100483 565733732 /nfs/dbraw/zinc/73/37/32/565733732.db2.gz TZRVACZGEFSWIT-UHFFFAOYSA-N 0 0 382.189 3.472 10 5 GGBERN CC1(C)CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000331115164 565739728 /nfs/dbraw/zinc/73/97/28/565739728.db2.gz VDPDMVBPRIAETF-LLVKDONJSA-N 0 0 384.351 3.333 10 5 GGBERN COC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000176150316 565753687 /nfs/dbraw/zinc/75/36/87/565753687.db2.gz BZFJQAKAOYBMCO-MRXNPFEDSA-N 0 0 393.237 3.404 10 5 GGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC=C(Br)C2)cc1OC ZINC000282058304 565762807 /nfs/dbraw/zinc/76/28/07/565762807.db2.gz BXCLROSTXQIESQ-UHFFFAOYSA-N 0 0 385.214 3.127 10 5 GGBERN Cc1c(NC(=O)[C@@H]2CCc3cnn(C)c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000282406961 565777855 /nfs/dbraw/zinc/77/78/55/565777855.db2.gz YWEYZPGPDVGECG-SNVBAGLBSA-N 0 0 393.241 3.143 10 5 GGBERN Cn1cc2c(n1)CCC[C@H]2NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282640522 565789527 /nfs/dbraw/zinc/78/95/27/565789527.db2.gz LCMFORYOJPLOEQ-GFCCVEGCSA-N 0 0 394.229 3.290 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)s1 ZINC000194400541 565813299 /nfs/dbraw/zinc/81/32/99/565813299.db2.gz FCCQNNMWZVGIBQ-UHFFFAOYSA-N 0 0 381.410 3.024 10 5 GGBERN Cc1sc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000194443279 565816045 /nfs/dbraw/zinc/81/60/45/565816045.db2.gz CHRTWPRZWTYXBV-UHFFFAOYSA-N 0 0 379.463 3.015 10 5 GGBERN CC(C)c1noc(CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000177059644 565825363 /nfs/dbraw/zinc/82/53/63/565825363.db2.gz LYPONLSGVTVQFE-UHFFFAOYSA-N 0 0 397.229 3.226 10 5 GGBERN COC(=O)c1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194758549 565835285 /nfs/dbraw/zinc/83/52/85/565835285.db2.gz QMRWEZWXTGDYSG-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177357236 565845323 /nfs/dbraw/zinc/84/53/23/565845323.db2.gz PKNAPLZOFGMJRG-SNVBAGLBSA-N 0 0 399.241 3.161 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194919334 565847736 /nfs/dbraw/zinc/84/77/36/565847736.db2.gz BMAZYKZSPWVISI-UHFFFAOYSA-N 0 0 395.209 3.305 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000177579198 565860523 /nfs/dbraw/zinc/86/05/23/565860523.db2.gz AUMVMIVXLDKMPL-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000284722550 565867123 /nfs/dbraw/zinc/86/71/23/565867123.db2.gz BBKWHCDHRLMYIY-JTQLQIEISA-N 0 0 382.463 3.249 10 5 GGBERN CC[C@@H](NC(=O)c1cc(I)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000177792954 565874429 /nfs/dbraw/zinc/87/44/29/565874429.db2.gz HRFCHESQKOOISS-GFCCVEGCSA-N 0 0 399.188 3.409 10 5 GGBERN O=[N+]([O-])c1cnc(NCCCc2nc3cccnc3[nH]2)c(Br)c1 ZINC000225814356 565917546 /nfs/dbraw/zinc/91/75/46/565917546.db2.gz JFWAAJQFBUHWOC-UHFFFAOYSA-N 0 0 377.202 3.068 10 5 GGBERN Cc1ncsc1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl ZINC000225834862 565917666 /nfs/dbraw/zinc/91/76/66/565917666.db2.gz XSDPPTJGGIKIGO-UHFFFAOYSA-N 0 0 396.277 3.487 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(Br)s2)c1 ZINC000178629949 565930273 /nfs/dbraw/zinc/93/02/73/565930273.db2.gz NCOWGIXRETYKGD-UHFFFAOYSA-N 0 0 391.268 3.038 10 5 GGBERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000179224183 565966769 /nfs/dbraw/zinc/96/67/69/565966769.db2.gz YJHZQBOPSKOZTE-GZMMTYOYSA-N 0 0 391.649 3.292 10 5 GGBERN CN1C(=O)C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000179466176 565981664 /nfs/dbraw/zinc/98/16/64/565981664.db2.gz VTHYZYDYCQAJQU-WFASDCNBSA-N 0 0 379.825 3.012 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000286926360 565987008 /nfs/dbraw/zinc/98/70/08/565987008.db2.gz DBGWHUPXPCLRDI-AWEZNQCLSA-N 0 0 379.214 3.366 10 5 GGBERN Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245529948 565994676 /nfs/dbraw/zinc/99/46/76/565994676.db2.gz WYGPYDAAAOZVOA-GXFFZTMASA-N 0 0 384.274 3.220 10 5 GGBERN COc1ccc([C@H](C)OC(=O)Cn2cc([N+](=O)[O-])nc2C)c(Br)c1 ZINC000179947178 566020813 /nfs/dbraw/zinc/02/08/13/566020813.db2.gz TXRZSMYQNPKZLA-VIFPVBQESA-N 0 0 398.213 3.175 10 5 GGBERN C[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCC12CCOCC2 ZINC000363799121 566022007 /nfs/dbraw/zinc/02/20/07/566022007.db2.gz PUOXNTSXWPDZNC-LLVKDONJSA-N 0 0 383.242 3.389 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000180121600 566034003 /nfs/dbraw/zinc/03/40/03/566034003.db2.gz LIZJJBJWKKYHMV-NSHDSACASA-N 0 0 384.845 3.196 10 5 GGBERN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1ccnc(C(F)(F)F)c1 ZINC000288024275 566053000 /nfs/dbraw/zinc/05/30/00/566053000.db2.gz ABAOIKTZCDYYLG-UHFFFAOYSA-N 0 0 393.119 3.159 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(c2ccccn2)CC1 ZINC000364526715 566056094 /nfs/dbraw/zinc/05/60/94/566056094.db2.gz IZNBORXIQMDAOE-UHFFFAOYSA-N 0 0 381.841 3.212 10 5 GGBERN Cc1sc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000180356305 566057321 /nfs/dbraw/zinc/05/73/21/566057321.db2.gz XVYXNLJOPXBQGQ-SNVBAGLBSA-N 0 0 382.467 3.204 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccccn3)CC2)c(Cl)c1 ZINC000364578713 566059144 /nfs/dbraw/zinc/05/91/44/566059144.db2.gz UBUZJGBQTVCMAM-UHFFFAOYSA-N 0 0 381.841 3.212 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2c[nH]cn2)CC1 ZINC000364659803 566062215 /nfs/dbraw/zinc/06/22/15/566062215.db2.gz PYKFLDFOYBNVEG-UHFFFAOYSA-N 0 0 380.857 3.470 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000180438594 566063168 /nfs/dbraw/zinc/06/31/68/566063168.db2.gz YNLKXNRIRNBTAN-UHFFFAOYSA-N 0 0 378.182 3.100 10 5 GGBERN O=[N+]([O-])c1cc(CN[C@H](c2nc[nH]n2)c2ccccc2)ccc1Br ZINC000364680315 566063922 /nfs/dbraw/zinc/06/39/22/566063922.db2.gz XBLXOBVPEVLQBV-HNNXBMFYSA-N 0 0 388.225 3.355 10 5 GGBERN CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000416404574 566064085 /nfs/dbraw/zinc/06/40/85/566064085.db2.gz WYGOGWPUATUMGI-SECBINFHSA-N 0 0 395.384 3.500 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000180473894 566065002 /nfs/dbraw/zinc/06/50/02/566065002.db2.gz ZCIFAQUMIOCBEM-UHFFFAOYSA-N 0 0 392.209 3.408 10 5 GGBERN Cn1cc([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)cn1 ZINC000180561391 566072126 /nfs/dbraw/zinc/07/21/26/566072126.db2.gz BPFFDFZFFYBPLX-GFCCVEGCSA-N 0 0 379.214 3.068 10 5 GGBERN CC(F)(F)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416488168 566075339 /nfs/dbraw/zinc/07/53/39/566075339.db2.gz LYVZAZPWJYDHPS-UHFFFAOYSA-N 0 0 376.303 3.327 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000416499825 566076279 /nfs/dbraw/zinc/07/62/79/566076279.db2.gz DFERHCSZZKAQKA-UHFFFAOYSA-N 0 0 388.314 3.327 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000416503084 566077596 /nfs/dbraw/zinc/07/75/96/566077596.db2.gz NWIBIMNEIMRNPC-NSHDSACASA-N 0 0 376.862 3.040 10 5 GGBERN C[C@H]1CC(C)(C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000416612127 566096316 /nfs/dbraw/zinc/09/63/16/566096316.db2.gz CWEGMRCPIWCTCB-VIFPVBQESA-N 0 0 377.260 3.166 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1=O ZINC000181034417 566108212 /nfs/dbraw/zinc/10/82/12/566108212.db2.gz FVKFDXBJQCMODP-UHFFFAOYSA-N 0 0 380.191 3.001 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000181081032 566111902 /nfs/dbraw/zinc/11/19/02/566111902.db2.gz QDTKJNCQGVBZSF-HNNXBMFYSA-N 0 0 379.210 3.129 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000181081053 566112102 /nfs/dbraw/zinc/11/21/02/566112102.db2.gz QDTKJNCQGVBZSF-OAHLLOKOSA-N 0 0 379.210 3.129 10 5 GGBERN O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000181080134 566112370 /nfs/dbraw/zinc/11/23/70/566112370.db2.gz MRUZKJZKMUQPHY-AWEZNQCLSA-N 0 0 399.628 3.474 10 5 GGBERN Cc1c(C(=O)N[C@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181090032 566113766 /nfs/dbraw/zinc/11/37/66/566113766.db2.gz ANOKCIIVGDRZRL-CQSZACIVSA-N 0 0 379.210 3.129 10 5 GGBERN O=C(N[C@H](CO)c1cccc(Br)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000181097407 566114666 /nfs/dbraw/zinc/11/46/66/566114666.db2.gz ZJEAVBGXGUUKHB-CQSZACIVSA-N 0 0 399.628 3.474 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](n2cccn2)C1 ZINC000365815483 566121654 /nfs/dbraw/zinc/12/16/54/566121654.db2.gz WTSDDOFZUCRUGH-LBPRGKRZSA-N 0 0 380.202 3.033 10 5 GGBERN CN(C[C@@H]1CCCN1c1cccnn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261418372 566123682 /nfs/dbraw/zinc/12/36/82/566123682.db2.gz YVIUFDRZCMHLDE-ZDUSSCGKSA-N 0 0 392.257 3.253 10 5 GGBERN CN(C[C@H]1CCCN1c1cccnn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261418368 566123693 /nfs/dbraw/zinc/12/36/93/566123693.db2.gz YVIUFDRZCMHLDE-CYBMUJFWSA-N 0 0 392.257 3.253 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](C2CCC2)C1 ZINC000417107913 566124752 /nfs/dbraw/zinc/12/47/52/566124752.db2.gz HWHSZIQQZWDCFY-CQSZACIVSA-N 0 0 384.230 3.390 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000289692245 566134873 /nfs/dbraw/zinc/13/48/73/566134873.db2.gz NWUYPRSPNXIINI-PRHODGIISA-N 0 0 381.738 3.415 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000181368386 566137573 /nfs/dbraw/zinc/13/75/73/566137573.db2.gz OFYLGKRBEXDZHM-GFCCVEGCSA-N 0 0 394.229 3.151 10 5 GGBERN COc1ccc(CSCC(=O)NCc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000181660332 566155941 /nfs/dbraw/zinc/15/59/41/566155941.db2.gz IFNVFRJZLCBHPM-UHFFFAOYSA-N 0 0 381.841 3.201 10 5 GGBERN Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000366695798 566164370 /nfs/dbraw/zinc/16/43/70/566164370.db2.gz CBJOMJYQHMKGMM-AWEZNQCLSA-N 0 0 393.241 3.458 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2CCc3c[nH]nc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366728639 566165785 /nfs/dbraw/zinc/16/57/85/566165785.db2.gz SODBVXDJUTYHLZ-LLVKDONJSA-N 0 0 394.229 3.068 10 5 GGBERN CS(=O)(=O)c1csc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000181950773 566174550 /nfs/dbraw/zinc/17/45/50/566174550.db2.gz NALYWAWGLYQAPE-UHFFFAOYSA-N 0 0 394.352 3.331 10 5 GGBERN COC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000182000506 566176484 /nfs/dbraw/zinc/17/64/84/566176484.db2.gz BZCDGXDZSOXTJO-UHFFFAOYSA-N 0 0 379.166 3.396 10 5 GGBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000182002849 566178146 /nfs/dbraw/zinc/17/81/46/566178146.db2.gz IAUXILMSBNJYBO-UHFFFAOYSA-N 0 0 379.166 3.396 10 5 GGBERN CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCCC2 ZINC000367197735 566190505 /nfs/dbraw/zinc/19/05/05/566190505.db2.gz ZNAISVCGIGEAQJ-QWHCGFSZSA-N 0 0 398.257 3.220 10 5 GGBERN Cc1cnc(CCN(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC000290853570 566192695 /nfs/dbraw/zinc/19/26/95/566192695.db2.gz WSLBWWNEURKJCV-UHFFFAOYSA-N 0 0 393.849 3.015 10 5 GGBERN O=[N+]([O-])c1ccccc1OC[C@H](O)COc1cc(F)ccc1Br ZINC000182279314 566193890 /nfs/dbraw/zinc/19/38/90/566193890.db2.gz XMVYIKACCLVOJY-NSHDSACASA-N 0 0 386.173 3.315 10 5 GGBERN Cc1nn(C)c(C)c1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290885417 566193973 /nfs/dbraw/zinc/19/39/73/566193973.db2.gz ZEAJBRXKHGWBRM-UHFFFAOYSA-N 0 0 380.209 3.020 10 5 GGBERN CC(C)(CCc1noc(-c2n[nH]c3ccc(Br)cc32)n1)[N+](=O)[O-] ZINC000291056358 566203082 /nfs/dbraw/zinc/20/30/82/566203082.db2.gz JGDGOSDRQPPLOH-UHFFFAOYSA-N 0 0 380.202 3.363 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)n1 ZINC000367572108 566206898 /nfs/dbraw/zinc/20/68/98/566206898.db2.gz ZICZMLQHHOKXFE-GFCCVEGCSA-N 0 0 379.214 3.068 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000182664262 566218166 /nfs/dbraw/zinc/21/81/66/566218166.db2.gz BQCMLVUKMVKWQG-BDJLRTHQSA-N 0 0 383.242 3.125 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000182664292 566218264 /nfs/dbraw/zinc/21/82/64/566218264.db2.gz BQCMLVUKMVKWQG-MEDUHNTESA-N 0 0 383.242 3.125 10 5 GGBERN Cc1sc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)cc1[N+](=O)[O-] ZINC000291406746 566219132 /nfs/dbraw/zinc/21/91/32/566219132.db2.gz YOUMXOMVYXONGC-XVKPBYJWSA-N 0 0 386.476 3.063 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000367830959 566219343 /nfs/dbraw/zinc/21/93/43/566219343.db2.gz JOHGURDOLVGYRJ-IUODEOHRSA-N 0 0 382.463 3.250 10 5 GGBERN Cn1cc([C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000182741496 566221672 /nfs/dbraw/zinc/22/16/72/566221672.db2.gz STUICTZBIBTQNX-LLVKDONJSA-N 0 0 380.857 3.090 10 5 GGBERN CC(C)C(=O)N1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291505173 566223252 /nfs/dbraw/zinc/22/32/52/566223252.db2.gz PRSYSVODMDHCNT-UHFFFAOYSA-N 0 0 388.251 3.278 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000367977486 566226634 /nfs/dbraw/zinc/22/66/34/566226634.db2.gz QHSOZLDIAGYKFI-SNVBAGLBSA-N 0 0 394.229 3.068 10 5 GGBERN O=[N+]([O-])c1cncc(I)c1N[C@@H]1CCCC(F)(F)C1 ZINC000418900382 566227001 /nfs/dbraw/zinc/22/70/01/566227001.db2.gz KDHNOIYEVQVZMH-SSDOTTSWSA-N 0 0 383.136 3.006 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291611369 566228119 /nfs/dbraw/zinc/22/81/19/566228119.db2.gz SPLIVHGILGDQEC-HZMBPMFUSA-N 0 0 380.447 3.002 10 5 GGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000368282745 566234869 /nfs/dbraw/zinc/23/48/69/566234869.db2.gz GSONVJVSAOAGOU-GFCCVEGCSA-N 0 0 388.873 3.136 10 5 GGBERN CN(C)c1ncccc1N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183034112 566235921 /nfs/dbraw/zinc/23/59/21/566235921.db2.gz QMKCFRFFTFMCBQ-UHFFFAOYSA-N 0 0 380.857 3.464 10 5 GGBERN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1c1ccc(Br)s1 ZINC000368344379 566236596 /nfs/dbraw/zinc/23/65/96/566236596.db2.gz KCTXNLVVFAAMDG-GFCCVEGCSA-N 0 0 398.282 3.418 10 5 GGBERN Cc1cnn([C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)c1 ZINC000368674765 566244098 /nfs/dbraw/zinc/24/40/98/566244098.db2.gz CVWYZPFCPVXERX-CYBMUJFWSA-N 0 0 394.229 3.341 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1Cn1ccnc1 ZINC000183464052 566247525 /nfs/dbraw/zinc/24/75/25/566247525.db2.gz WSMAESAHWNJMIP-CYBMUJFWSA-N 0 0 380.857 3.228 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1nc3cc(Br)ccc3o1)CC2 ZINC000508976541 566252883 /nfs/dbraw/zinc/25/28/83/566252883.db2.gz HRUILWYAOOOKOT-UHFFFAOYSA-N 0 0 389.209 3.452 10 5 GGBERN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCSC1 ZINC000534835463 566258359 /nfs/dbraw/zinc/25/83/59/566258359.db2.gz RFCQJDHTSRLLFU-CYBMUJFWSA-N 0 0 378.479 3.094 10 5 GGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1 ZINC000599376849 566258476 /nfs/dbraw/zinc/25/84/76/566258476.db2.gz XHZDTDYVQFIATI-GVDBMIGSSA-N 0 0 378.837 3.006 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)c(C(F)(F)F)c1 ZINC000599405119 566261894 /nfs/dbraw/zinc/26/18/94/566261894.db2.gz XYDXZLYEFTXFCN-MNOVXSKESA-N 0 0 396.412 3.272 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccn2)C2CCC2)c(Cl)c1 ZINC000599411457 566262055 /nfs/dbraw/zinc/26/20/55/566262055.db2.gz IWGVDQKODOOYBA-INIZCTEOSA-N 0 0 381.841 3.463 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000599413391 566262735 /nfs/dbraw/zinc/26/27/35/566262735.db2.gz YITSLDUNDVCMSP-MRXNPFEDSA-N 0 0 381.841 3.463 10 5 GGBERN CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc2ncsc2c1 ZINC000509113146 566264825 /nfs/dbraw/zinc/26/48/25/566264825.db2.gz RDDUZJJKMAFJEY-UHFFFAOYSA-N 0 0 377.447 3.068 10 5 GGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)cc1 ZINC000599467211 566267626 /nfs/dbraw/zinc/26/76/26/566267626.db2.gz UKOAXMJKBSGCEI-USXIJHARSA-N 0 0 378.837 3.006 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3c(cc4c3cccc4Cl)C2)s1 ZINC000445083401 566268230 /nfs/dbraw/zinc/26/82/30/566268230.db2.gz RZBZWAFMQTZXLC-UHFFFAOYSA-N 0 0 397.865 3.469 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(C(F)(F)F)CCCC1 ZINC000599502952 566270113 /nfs/dbraw/zinc/27/01/13/566270113.db2.gz MPORRLNMYUJULW-UHFFFAOYSA-N 0 0 382.360 3.004 10 5 GGBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599506448 566270385 /nfs/dbraw/zinc/27/03/85/566270385.db2.gz BFLSVWXVNQURRZ-HZMBPMFUSA-N 0 0 389.271 3.311 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000599508926 566271894 /nfs/dbraw/zinc/27/18/94/566271894.db2.gz BOHDRDDXRYVAEG-LBPRGKRZSA-N 0 0 382.825 3.132 10 5 GGBERN CC(C)[C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000535028867 566272227 /nfs/dbraw/zinc/27/22/27/566272227.db2.gz XBYJNRJEAAVVAU-JTQLQIEISA-N 0 0 388.205 3.318 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000599510703 566272419 /nfs/dbraw/zinc/27/24/19/566272419.db2.gz YEELKLZVLCIVOJ-GFCCVEGCSA-N 0 0 382.825 3.132 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000445250648 566276982 /nfs/dbraw/zinc/27/69/82/566276982.db2.gz PACNGBFRYMJYIW-UHFFFAOYSA-N 0 0 383.813 3.180 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000599623847 566280097 /nfs/dbraw/zinc/28/00/97/566280097.db2.gz VMSXPZIZIVVUEO-MRXNPFEDSA-N 0 0 383.242 3.390 10 5 GGBERN O=c1ccc([C@H]2CCCN2Cc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000599638922 566282825 /nfs/dbraw/zinc/28/28/25/566282825.db2.gz ZVHKTWUJNJKPND-CYBMUJFWSA-N 0 0 379.214 3.190 10 5 GGBERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000462325954 566283308 /nfs/dbraw/zinc/28/33/08/566283308.db2.gz IHTXXBCMEMMDQM-LSDHHAIUSA-N 0 0 388.873 3.183 10 5 GGBERN Cn1ncc([N+](=O)[O-])c1-c1nc(C(C)(C)c2ccc(Br)cc2)no1 ZINC000445390791 566287515 /nfs/dbraw/zinc/28/75/15/566287515.db2.gz JADIACIESYAYRQ-UHFFFAOYSA-N 0 0 392.213 3.467 10 5 GGBERN COc1cccc(CNC(=O)CNc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000575854746 566291908 /nfs/dbraw/zinc/29/19/08/566291908.db2.gz IBNXIOZYIOVTRF-UHFFFAOYSA-N 0 0 394.225 3.094 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccsc2Br)c1 ZINC000509331931 566291997 /nfs/dbraw/zinc/29/19/97/566291997.db2.gz OFPLIUTTWBNSEH-UHFFFAOYSA-N 0 0 391.268 3.038 10 5 GGBERN Cc1ccc(S(=O)(=O)CCc2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1 ZINC000445467723 566293414 /nfs/dbraw/zinc/29/34/14/566293414.db2.gz BMJZPXARZXVEMM-UHFFFAOYSA-N 0 0 379.419 3.031 10 5 GGBERN COc1cccc(F)c1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000462388413 566294940 /nfs/dbraw/zinc/29/49/40/566294940.db2.gz BDNPJKVSLHZELX-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC000462419950 566299482 /nfs/dbraw/zinc/29/94/82/566299482.db2.gz UCRWTGCVCZOIAN-NSHDSACASA-N 0 0 385.873 3.195 10 5 GGBERN CO[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(F)(F)F ZINC000556440294 566301420 /nfs/dbraw/zinc/30/14/20/566301420.db2.gz XDFDWDBHCYMSHY-NSHDSACASA-N 0 0 399.163 3.363 10 5 GGBERN CSc1nnc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)s1 ZINC000445613068 566301452 /nfs/dbraw/zinc/30/14/52/566301452.db2.gz MHQOEDLRRQOBAJ-UHFFFAOYSA-N 0 0 387.349 3.487 10 5 GGBERN Cc1cn2c(n1)C[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000599915981 566303451 /nfs/dbraw/zinc/30/34/51/566303451.db2.gz AJOWKLOMTFGSCG-JTQLQIEISA-N 0 0 379.214 3.063 10 5 GGBERN CC(C)c1noc(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000556468014 566304895 /nfs/dbraw/zinc/30/48/95/566304895.db2.gz OWZLDUALZZXRPP-UHFFFAOYSA-N 0 0 383.202 3.435 10 5 GGBERN Cn1c(=O)oc2c1cccc2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556463958 566305534 /nfs/dbraw/zinc/30/55/34/566305534.db2.gz RYJWYMAVDUDYEI-UHFFFAOYSA-N 0 0 392.165 3.055 10 5 GGBERN COc1cc2c(cc1F)CC[C@@H]2Nc1c(Br)cncc1[N+](=O)[O-] ZINC000509479945 566308601 /nfs/dbraw/zinc/30/86/01/566308601.db2.gz OMVDCMYKRXXPIQ-LBPRGKRZSA-N 0 0 382.189 3.421 10 5 GGBERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000445740124 566308639 /nfs/dbraw/zinc/30/86/39/566308639.db2.gz DCWGUJYDLNPMNT-IWSPIJDZSA-N 0 0 383.253 3.088 10 5 GGBERN COc1cc2c(cc1F)CC[C@H]2Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000509478854 566309112 /nfs/dbraw/zinc/30/91/12/566309112.db2.gz XCHMNVUGSQCAJD-LLVKDONJSA-N 0 0 386.426 3.307 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000462488392 566311107 /nfs/dbraw/zinc/31/11/07/566311107.db2.gz HVEUTSGFEYJFRU-KCPJHIHWSA-N 0 0 388.873 3.039 10 5 GGBERN Cc1nnc([C@@H]2CCCCN2c2ncc([N+](=O)[O-])c(C)c2Br)[nH]1 ZINC000509512080 566312390 /nfs/dbraw/zinc/31/23/90/566312390.db2.gz PQMOOFUJQANDIH-JTQLQIEISA-N 0 0 381.234 3.219 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000600117126 566316341 /nfs/dbraw/zinc/31/63/41/566316341.db2.gz UGWCICNTQSFOOR-CALCHBBNSA-N 0 0 395.253 3.390 10 5 GGBERN CC1(C)Cc2n[nH]cc2CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600126843 566317891 /nfs/dbraw/zinc/31/78/91/566317891.db2.gz YUAUNHSYLOXXAH-UHFFFAOYSA-N 0 0 393.241 3.305 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC/C=C/c2ccc(Br)cc2)n1 ZINC000600179766 566321331 /nfs/dbraw/zinc/32/13/31/566321331.db2.gz VTHKRPULCPZHHY-HWKANZROSA-N 0 0 393.241 3.407 10 5 GGBERN CCc1n[nH]c(C(=O)NCC/C=C\c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000600180134 566321641 /nfs/dbraw/zinc/32/16/41/566321641.db2.gz ZTXBTOUYBPZZOX-HYXAFXHYSA-N 0 0 393.241 3.476 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC/C=C\c2ccc(Br)cc2)n1 ZINC000600179769 566321736 /nfs/dbraw/zinc/32/17/36/566321736.db2.gz VTHKRPULCPZHHY-HYXAFXHYSA-N 0 0 393.241 3.407 10 5 GGBERN Cc1cc(NC(=O)c2cc(Br)cn2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000462566520 566323481 /nfs/dbraw/zinc/32/34/81/566323481.db2.gz BJDOFYTYSYZIST-UHFFFAOYSA-N 0 0 389.209 3.227 10 5 GGBERN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccc(Cl)cc1 ZINC000462572271 566325876 /nfs/dbraw/zinc/32/58/76/566325876.db2.gz NDBVTSCIEQMVMB-SECBINFHSA-N 0 0 376.843 3.056 10 5 GGBERN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600304689 566330921 /nfs/dbraw/zinc/33/09/21/566330921.db2.gz NMOIPSSIDPWXIJ-LBPRGKRZSA-N 0 0 395.213 3.066 10 5 GGBERN CCc1[nH]nc(C(=O)N2CC3(CC3)c3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000600283466 566331524 /nfs/dbraw/zinc/33/15/24/566331524.db2.gz ZDKKCZIMYXKLPC-UHFFFAOYSA-N 0 0 391.225 3.335 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000462611049 566333215 /nfs/dbraw/zinc/33/32/15/566333215.db2.gz GYGGGGDCMWJQGZ-GFCCVEGCSA-N 0 0 389.216 3.314 10 5 GGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(Br)cc2[nH]cnc21 ZINC000576293615 566333622 /nfs/dbraw/zinc/33/36/22/566333622.db2.gz GLZPXUZURNNSOJ-UHFFFAOYSA-N 0 0 375.182 3.164 10 5 GGBERN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(C)nn(C)c1C ZINC000462614709 566334087 /nfs/dbraw/zinc/33/40/87/566334087.db2.gz KLHUZHCTSGXPBD-ZDUSSCGKSA-N 0 0 386.861 3.028 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000462609336 566334241 /nfs/dbraw/zinc/33/42/41/566334241.db2.gz BHTXGXXXSSVGPQ-MRVPVSSYSA-N 0 0 395.245 3.375 10 5 GGBERN CCC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC ZINC000600379935 566335680 /nfs/dbraw/zinc/33/56/80/566335680.db2.gz KCQDZYJMCNNNGC-UHFFFAOYSA-N 0 0 376.381 3.025 10 5 GGBERN CC1(C)CCC[C@@](CO)(NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600358089 566335910 /nfs/dbraw/zinc/33/59/10/566335910.db2.gz AGPLVEZUEARONP-MRXNPFEDSA-N 0 0 385.258 3.418 10 5 GGBERN Cc1cn(CCCOc2cccc(I)c2)nc1[N+](=O)[O-] ZINC000509804493 566339687 /nfs/dbraw/zinc/33/96/87/566339687.db2.gz MLXFFEQZQBFSRC-UHFFFAOYSA-N 0 0 387.177 3.173 10 5 GGBERN CCO[C@H](C)c1nc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000462702076 566342470 /nfs/dbraw/zinc/34/24/70/566342470.db2.gz LDHWYPKIXQRVCS-SECBINFHSA-N 0 0 391.496 3.031 10 5 GGBERN CC(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000446322726 566343127 /nfs/dbraw/zinc/34/31/27/566343127.db2.gz RWTILTNHCJWZLL-JTQLQIEISA-N 0 0 388.205 3.318 10 5 GGBERN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000600510379 566343317 /nfs/dbraw/zinc/34/33/17/566343317.db2.gz WGRBXYCDDRIQSW-CYBMUJFWSA-N 0 0 379.214 3.366 10 5 GGBERN COC(=O)[C@@](C)(NC(=O)Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000600531390 566345082 /nfs/dbraw/zinc/34/50/82/566345082.db2.gz BECXBZRINPXPHB-INIZCTEOSA-N 0 0 382.825 3.057 10 5 GGBERN Cc1c(NC(=O)NCCCC2(O)CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000421125479 566346853 /nfs/dbraw/zinc/34/68/53/566346853.db2.gz RSAQXAKUOMFEDZ-UHFFFAOYSA-N 0 0 386.246 3.482 10 5 GGBERN O=[N+]([O-])c1ccc(NCCOc2ccc(I)cc2)cn1 ZINC000509933255 566348620 /nfs/dbraw/zinc/34/86/20/566348620.db2.gz DVWFUQXXBVREPS-UHFFFAOYSA-N 0 0 385.161 3.085 10 5 GGBERN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600589094 566349069 /nfs/dbraw/zinc/34/90/69/566349069.db2.gz FNZZXOZRFOKWLE-ONGXEEELSA-N 0 0 379.214 3.099 10 5 GGBERN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600590346 566349261 /nfs/dbraw/zinc/34/92/61/566349261.db2.gz JXYGEMIJBCTMKG-JQWIXIFHSA-N 0 0 393.241 3.109 10 5 GGBERN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000600593287 566349368 /nfs/dbraw/zinc/34/93/68/566349368.db2.gz VVIOKHKPFURQPA-PWSUYJOCSA-N 0 0 393.241 3.109 10 5 GGBERN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600593591 566349449 /nfs/dbraw/zinc/34/94/49/566349449.db2.gz YGBVRCZIINRKGR-ONGXEEELSA-N 0 0 379.214 3.099 10 5 GGBERN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000600593288 566349698 /nfs/dbraw/zinc/34/96/98/566349698.db2.gz VVIOKHKPFURQPA-ZYHUDNBSSA-N 0 0 393.241 3.109 10 5 GGBERN CCn1c2ccc(F)cc2nc1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000446563198 566356040 /nfs/dbraw/zinc/35/60/40/566356040.db2.gz FNGSENPPNDUDMA-UHFFFAOYSA-N 0 0 395.188 3.076 10 5 GGBERN Cc1nn(CCC(=O)NCc2csc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000600683918 566359542 /nfs/dbraw/zinc/35/95/42/566359542.db2.gz ULXPXSUVASFFPF-UHFFFAOYSA-N 0 0 376.360 3.195 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCc1cccc(Br)c1 ZINC000462865100 566361100 /nfs/dbraw/zinc/36/11/00/566361100.db2.gz VEOABEQCGYCMIY-UHFFFAOYSA-N 0 0 378.226 3.375 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600743686 566362728 /nfs/dbraw/zinc/36/27/28/566362728.db2.gz FDPOOQHUERQGIJ-HNNXBMFYSA-N 0 0 384.219 3.459 10 5 GGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc(OCCO)c1 ZINC000446723964 566363558 /nfs/dbraw/zinc/36/35/58/566363558.db2.gz AVIIJAQBFXDDJA-UHFFFAOYSA-N 0 0 395.209 3.289 10 5 GGBERN Cn1c(C(=O)N2CC(Cc3ccccc3Br)C2)ccc1[N+](=O)[O-] ZINC000600761413 566363800 /nfs/dbraw/zinc/36/38/00/566363800.db2.gz YVHQXGAGPWXVTR-UHFFFAOYSA-N 0 0 378.226 3.011 10 5 GGBERN COc1ccc(Cl)cc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000510129561 566364963 /nfs/dbraw/zinc/36/49/63/566364963.db2.gz ARXRHYJBMLPRSV-UHFFFAOYSA-N 0 0 386.813 3.091 10 5 GGBERN CNc1c(C(=O)NCCc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000462926585 566368290 /nfs/dbraw/zinc/36/82/90/566368290.db2.gz LMLOTWPPNOSFHL-UHFFFAOYSA-N 0 0 378.226 3.372 10 5 GGBERN Cc1c(NC(=O)NC[C@@H]2CCOC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483332251 566373274 /nfs/dbraw/zinc/37/32/74/566373274.db2.gz IZRSVQVJGNAKII-ONGXEEELSA-N 0 0 386.246 3.460 10 5 GGBERN Cc1c(NC(=O)Nc2cc3n(n2)CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000483333387 566373480 /nfs/dbraw/zinc/37/34/80/566373480.db2.gz LPXDDLLHJHXFCS-UHFFFAOYSA-N 0 0 394.229 3.264 10 5 GGBERN CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000462989051 566373639 /nfs/dbraw/zinc/37/36/39/566373639.db2.gz JCZGNBFRCVIEJD-NSHDSACASA-N 0 0 378.372 3.343 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CCCC2)c(Br)c1 ZINC000446965616 566374884 /nfs/dbraw/zinc/37/48/84/566374884.db2.gz IHEPJZJZQRJYRF-UHFFFAOYSA-N 0 0 377.260 3.216 10 5 GGBERN CCc1[nH]nc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1C ZINC000483346212 566375340 /nfs/dbraw/zinc/37/53/40/566375340.db2.gz ACAOCRUSPADZKN-UHFFFAOYSA-N 0 0 382.218 3.326 10 5 GGBERN COC[C@@](C)(NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000510390965 566379150 /nfs/dbraw/zinc/37/91/50/566379150.db2.gz VTTXFFWQTRQESZ-GFCCVEGCSA-N 0 0 399.163 3.363 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000510441341 566383302 /nfs/dbraw/zinc/38/33/02/566383302.db2.gz GIROICQDQHRLRP-SMDDNHRTSA-N 0 0 383.242 3.307 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1nc3ccc(Br)cc3o1)CC2 ZINC000463152159 566388053 /nfs/dbraw/zinc/38/80/53/566388053.db2.gz RAZWNHODXPTYCA-UHFFFAOYSA-N 0 0 389.209 3.452 10 5 GGBERN C[C@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000576895288 566388627 /nfs/dbraw/zinc/38/86/27/566388627.db2.gz LSLPNGVGHPXFDZ-VIFPVBQESA-N 0 0 375.328 3.048 10 5 GGBERN CN(CC(=O)NCc1cc(F)cc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000463192646 566389708 /nfs/dbraw/zinc/38/97/08/566389708.db2.gz SACHKFDSQRDQOM-UHFFFAOYSA-N 0 0 396.216 3.249 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000447159100 566390581 /nfs/dbraw/zinc/39/05/81/566390581.db2.gz ZIBTVOHBCZGEDH-UHFFFAOYSA-N 0 0 388.417 3.215 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000447158817 566390989 /nfs/dbraw/zinc/39/09/89/566390989.db2.gz YJMHJEOBTWLQSW-UHFFFAOYSA-N 0 0 384.454 3.384 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000447152509 566391136 /nfs/dbraw/zinc/39/11/36/566391136.db2.gz IRTHMGFLILTPCP-UHFFFAOYSA-N 0 0 384.454 3.384 10 5 GGBERN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H](c2ccsc2)O1 ZINC000601129613 566391618 /nfs/dbraw/zinc/39/16/18/566391618.db2.gz KXMGMBZXRNZFSF-SCZZXKLOSA-N 0 0 376.360 3.375 10 5 GGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCOC2(CCSCC2)C1 ZINC000601131029 566392280 /nfs/dbraw/zinc/39/22/80/566392280.db2.gz DTKMAUMSDVKCKI-VIFPVBQESA-N 0 0 380.392 3.204 10 5 GGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCc1nc(C(F)(F)F)cs1 ZINC000601125562 566392375 /nfs/dbraw/zinc/39/23/75/566392375.db2.gz RYCXADBDRRKRRF-UHFFFAOYSA-N 0 0 389.281 3.477 10 5 GGBERN Cc1cc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ncc1Br ZINC000601149169 566393865 /nfs/dbraw/zinc/39/38/65/566393865.db2.gz KDKYAUOINIGBNI-INIZCTEOSA-N 0 0 380.242 3.058 10 5 GGBERN C[C@](CO)(NCc1cc(O)ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148883 566393932 /nfs/dbraw/zinc/39/39/32/566393932.db2.gz HFXIKRSVGMODOL-MRXNPFEDSA-N 0 0 381.226 3.060 10 5 GGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000601190167 566394827 /nfs/dbraw/zinc/39/48/27/566394827.db2.gz RMMQAXJHRHUCPF-RQJHMYQMSA-N 0 0 376.257 3.259 10 5 GGBERN CSc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2C)cc1[N+](=O)[O-] ZINC000510608299 566398079 /nfs/dbraw/zinc/39/80/79/566398079.db2.gz SKWSRIKRPJPBEF-UHFFFAOYSA-N 0 0 380.447 3.281 10 5 GGBERN Cc1cc(S(=O)(=O)N(CCc2nccs2)C(C)C)c([N+](=O)[O-])s1 ZINC000601377396 566402704 /nfs/dbraw/zinc/40/27/04/566402704.db2.gz GDZSMOTYWOJXNS-UHFFFAOYSA-N 0 0 375.497 3.063 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC(Cc3cccnc3)CC2)c([N+](=O)[O-])s1 ZINC000601386040 566403181 /nfs/dbraw/zinc/40/31/81/566403181.db2.gz VDGLLQNLFHIBDJ-UHFFFAOYSA-N 0 0 381.479 3.003 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601386133 566403464 /nfs/dbraw/zinc/40/34/64/566403464.db2.gz XDXPDSOSTPXLDP-UKRRQHHQSA-N 0 0 382.463 3.021 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000557659852 566405635 /nfs/dbraw/zinc/40/56/35/566405635.db2.gz OUYJULCWZPHRIR-HUUCEWRRSA-N 0 0 397.250 3.192 10 5 GGBERN Cc1cncn1C1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000557662552 566405989 /nfs/dbraw/zinc/40/59/89/566405989.db2.gz LUVXWUSZILYWPF-UHFFFAOYSA-N 0 0 380.246 3.407 10 5 GGBERN COC(=O)c1cc(C)nc(NCc2cccc(C)c2Br)c1[N+](=O)[O-] ZINC000557660270 566406507 /nfs/dbraw/zinc/40/65/07/566406507.db2.gz LRXCJMRHIWTDLJ-UHFFFAOYSA-N 0 0 394.225 3.190 10 5 GGBERN Cc1cc(S(=O)(=O)N(Cc2ccc(C)nc2)CC2CC2)c([N+](=O)[O-])s1 ZINC000601451458 566406843 /nfs/dbraw/zinc/40/68/43/566406843.db2.gz BUOVQIZZYWEAJD-UHFFFAOYSA-N 0 0 381.479 3.269 10 5 GGBERN Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c([N+](=O)[O-])s1 ZINC000601471019 566408209 /nfs/dbraw/zinc/40/82/09/566408209.db2.gz RRFALHDMTSQDOI-CQSZACIVSA-N 0 0 379.463 3.276 10 5 GGBERN Cc1ccnc([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000601460218 566408552 /nfs/dbraw/zinc/40/85/52/566408552.db2.gz QFDDWVIDXYHDEB-GFCCVEGCSA-N 0 0 381.841 3.130 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NCc1ccnc(OC(F)F)c1 ZINC000557686662 566409266 /nfs/dbraw/zinc/40/92/66/566409266.db2.gz FBLMYDGZIYZRHM-UHFFFAOYSA-N 0 0 375.129 3.361 10 5 GGBERN Cc1c(Br)csc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000601540988 566411049 /nfs/dbraw/zinc/41/10/49/566411049.db2.gz VEBJRHCSCNPQQF-UHFFFAOYSA-N 0 0 399.270 3.401 10 5 GGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(F)c(Br)cc1Cl ZINC000484123504 566416304 /nfs/dbraw/zinc/41/63/04/566416304.db2.gz QPRJBJSTSCSUFX-UHFFFAOYSA-N 0 0 377.557 3.136 10 5 GGBERN Cc1cc(Br)cc2c1CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000537034318 566419089 /nfs/dbraw/zinc/41/90/89/566419089.db2.gz ZUFCTUSQMBHJIH-UHFFFAOYSA-N 0 0 390.237 3.327 10 5 GGBERN COC1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000557817419 566421280 /nfs/dbraw/zinc/42/12/80/566421280.db2.gz JSDWFTLVUQETLS-UHFFFAOYSA-N 0 0 391.221 3.355 10 5 GGBERN C[C@H](CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])[S@](C)=O ZINC000447688254 566423551 /nfs/dbraw/zinc/42/35/51/566423551.db2.gz LCPJSIINVUXHQZ-CTGLIMNLSA-N 0 0 375.319 3.213 10 5 GGBERN Cc1csc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1Br ZINC000601776235 566423537 /nfs/dbraw/zinc/42/35/37/566423537.db2.gz HXRKFVPXWYMPST-HNNXBMFYSA-N 0 0 399.266 3.365 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Br)c(OC(C)C)c1 ZINC000601771771 566423686 /nfs/dbraw/zinc/42/36/86/566423686.db2.gz FLHKCFOOPPTGOI-UHFFFAOYSA-N 0 0 397.229 3.288 10 5 GGBERN Cc1cc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(Br)s1 ZINC000601776800 566424021 /nfs/dbraw/zinc/42/40/21/566424021.db2.gz IVGHPHBEMIZSED-OAHLLOKOSA-N 0 0 399.266 3.365 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000601800253 566427035 /nfs/dbraw/zinc/42/70/35/566427035.db2.gz LIEWLODBNODHOQ-LLVKDONJSA-N 0 0 380.800 3.223 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000601852247 566427967 /nfs/dbraw/zinc/42/79/67/566427967.db2.gz UOJSJKWQPYYDGT-UHFFFAOYSA-N 0 0 376.722 3.413 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000537181687 566428502 /nfs/dbraw/zinc/42/85/02/566428502.db2.gz JLLAHHOXPIYDBL-ZDUSSCGKSA-N 0 0 382.825 3.440 10 5 GGBERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1c(Br)cccc1[N+](=O)[O-] ZINC000601878044 566429272 /nfs/dbraw/zinc/42/92/72/566429272.db2.gz TXDFZDZWAVQWOT-DZGCQCFKSA-N 0 0 383.242 3.435 10 5 GGBERN COc1cc(Cn2cnc3c(Br)cccc3c2=O)ccc1[N+](=O)[O-] ZINC000484518063 566434359 /nfs/dbraw/zinc/43/43/59/566434359.db2.gz UWWHVKWYDRRERW-UHFFFAOYSA-N 0 0 390.193 3.124 10 5 GGBERN COc1cc(Cn2cnc3ccc(Br)cc3c2=O)ccc1[N+](=O)[O-] ZINC000484515108 566434384 /nfs/dbraw/zinc/43/43/84/566434384.db2.gz OFUCSVLZXVGHCK-UHFFFAOYSA-N 0 0 390.193 3.124 10 5 GGBERN Cc1c(NC(=O)COCc2cccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000557927411 566434566 /nfs/dbraw/zinc/43/45/66/566434566.db2.gz YTVOPRBDCOUVMV-UHFFFAOYSA-N 0 0 380.198 3.216 10 5 GGBERN COC(=O)c1cncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000577570608 566446562 /nfs/dbraw/zinc/44/65/62/566446562.db2.gz BNNKQTQAQVYVOR-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN COc1cc(Cn2nnc(-c3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] ZINC000484714399 566448921 /nfs/dbraw/zinc/44/89/21/566448921.db2.gz LVCREMYQRNPZCC-UHFFFAOYSA-N 0 0 390.197 3.068 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000537546047 566450376 /nfs/dbraw/zinc/45/03/76/566450376.db2.gz MXQCHTWLORDVDS-UHFFFAOYSA-N 0 0 380.198 3.100 10 5 GGBERN COC(=O)[C@H](CC(C)C)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558114488 566450849 /nfs/dbraw/zinc/45/08/49/566450849.db2.gz FULGYANTFPSJMB-ZDUSSCGKSA-N 0 0 388.873 3.386 10 5 GGBERN O=C(COc1cc(Cl)cc(Cl)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000537581092 566453342 /nfs/dbraw/zinc/45/33/42/566453342.db2.gz ZNIVOSHLTRKNFB-UHFFFAOYSA-N 0 0 382.203 3.260 10 5 GGBERN Cc1cc(Br)ccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000537579595 566454001 /nfs/dbraw/zinc/45/40/01/566454001.db2.gz IXVFUCKPTPEBDW-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN COC(=O)c1cnc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)s1 ZINC000448135470 566459201 /nfs/dbraw/zinc/45/92/01/566459201.db2.gz UPNWPGGSBBRUNP-UHFFFAOYSA-N 0 0 375.284 3.109 10 5 GGBERN COC(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1C ZINC000511448468 566465565 /nfs/dbraw/zinc/46/55/65/566465565.db2.gz XVWARZSPKCHVSN-UHFFFAOYSA-N 0 0 396.197 3.043 10 5 GGBERN CC(C)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000577841149 566469498 /nfs/dbraw/zinc/46/94/98/566469498.db2.gz USZVVVQEWVQAFO-UHFFFAOYSA-N 0 0 394.293 3.480 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000537785384 566470825 /nfs/dbraw/zinc/47/08/25/566470825.db2.gz AKDWLUNMJLPFCS-OAHLLOKOSA-N 0 0 379.210 3.129 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000511561426 566471878 /nfs/dbraw/zinc/47/18/78/566471878.db2.gz IYDPOGOCNKRANU-KRWDZBQOSA-N 0 0 395.253 3.363 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)n1 ZINC000537923964 566480221 /nfs/dbraw/zinc/48/02/21/566480221.db2.gz GIGKJBGVNSFMIG-AWEZNQCLSA-N 0 0 393.241 3.362 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3cc(F)cc(Br)c3)no2)n1 ZINC000577985019 566480436 /nfs/dbraw/zinc/48/04/36/566480436.db2.gz KSAWOUFEMQTGQO-UHFFFAOYSA-N 0 0 396.176 3.354 10 5 GGBERN COC[C@](C)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000464504625 566481396 /nfs/dbraw/zinc/48/13/96/566481396.db2.gz KBXBUFOQOJKHON-SDBXPKJASA-N 0 0 384.738 3.099 10 5 GGBERN COC(=O)CC1(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000511753717 566486414 /nfs/dbraw/zinc/48/64/14/566486414.db2.gz DSNPKYKIWVCDMM-UHFFFAOYSA-N 0 0 391.243 3.025 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000538016843 566487457 /nfs/dbraw/zinc/48/74/57/566487457.db2.gz VJMCDRUFUDACRT-BXKDBHETSA-N 0 0 395.264 3.091 10 5 GGBERN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000538041126 566488732 /nfs/dbraw/zinc/48/87/32/566488732.db2.gz VXLXAIOAZFDWHC-BONVTDFDSA-N 0 0 394.225 3.258 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000511851366 566493086 /nfs/dbraw/zinc/49/30/86/566493086.db2.gz ZTNQFUYKHYDRGX-UHFFFAOYSA-N 0 0 392.209 3.034 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000464634303 566493131 /nfs/dbraw/zinc/49/31/31/566493131.db2.gz ZOCDZFGLLNTZPU-JTQLQIEISA-N 0 0 394.225 3.258 10 5 GGBERN CN(C)S(=O)(=O)c1ccc(N(C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000578147523 566495081 /nfs/dbraw/zinc/49/50/81/566495081.db2.gz IEAMMLBEISPBMX-UHFFFAOYSA-N 0 0 383.857 3.135 10 5 GGBERN Cc1cc(Br)cc2c1CN(C(=O)c1cc([N+](=O)[O-])cn1C)CC2 ZINC000538243616 566500751 /nfs/dbraw/zinc/50/07/51/566500751.db2.gz VUMXQKHWWNLINZ-UHFFFAOYSA-N 0 0 378.226 3.203 10 5 GGBERN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC(=O)Nc2ccccc21 ZINC000485481997 566502248 /nfs/dbraw/zinc/50/22/48/566502248.db2.gz RDMBJXUPRCBSBN-UHFFFAOYSA-N 0 0 396.222 3.408 10 5 GGBERN CSc1cccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000485505476 566506303 /nfs/dbraw/zinc/50/63/03/566506303.db2.gz WCQHMPUWOZEBCY-GFCCVEGCSA-N 0 0 382.507 3.491 10 5 GGBERN COCc1cc(Cl)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000424078507 566509348 /nfs/dbraw/zinc/50/93/48/566509348.db2.gz DRCJHMOKEJYGJN-UHFFFAOYSA-N 0 0 384.841 3.379 10 5 GGBERN C[C@H]1CCCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000512142471 566515644 /nfs/dbraw/zinc/51/56/44/566515644.db2.gz LBJRUVAFDVFZMT-JTQLQIEISA-N 0 0 377.260 3.311 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000512136910 566515707 /nfs/dbraw/zinc/51/57/07/566515707.db2.gz CJSCJIOUOACJMX-UHFFFAOYSA-N 0 0 393.193 3.324 10 5 GGBERN COc1cc2c(cc1F)CN(c1ncc([N+](=O)[O-])cc1Br)CC2 ZINC000538492809 566516082 /nfs/dbraw/zinc/51/60/82/566516082.db2.gz OLIXXEDGKOGIOA-UHFFFAOYSA-N 0 0 382.189 3.463 10 5 GGBERN CO[C@H](CCNC(=O)c1sc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000485693340 566518907 /nfs/dbraw/zinc/51/89/07/566518907.db2.gz NDFDUSXNJPTIJI-ZCFIWIBFSA-N 0 0 391.165 3.116 10 5 GGBERN Cn1c(C(=O)N2CCCc3c(F)cc(Br)cc32)ccc1[N+](=O)[O-] ZINC000538579574 566522180 /nfs/dbraw/zinc/52/21/80/566522180.db2.gz XYHOSDIUILRBMY-UHFFFAOYSA-N 0 0 382.189 3.428 10 5 GGBERN COc1ccc(F)cc1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485754807 566524367 /nfs/dbraw/zinc/52/43/67/566524367.db2.gz NDEPIGYJAUNFAE-UHFFFAOYSA-N 0 0 389.202 3.497 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538650249 566525101 /nfs/dbraw/zinc/52/51/01/566525101.db2.gz QWVQIMWGWYVHST-UHFFFAOYSA-N 0 0 380.198 3.100 10 5 GGBERN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000538693170 566528242 /nfs/dbraw/zinc/52/82/42/566528242.db2.gz AGKGDRIVEKTVNG-SNVBAGLBSA-N 0 0 381.219 3.305 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)s1 ZINC000559149565 566529203 /nfs/dbraw/zinc/52/92/03/566529203.db2.gz IDDMHEQBFSMEGD-LBPRGKRZSA-N 0 0 388.854 3.152 10 5 GGBERN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000538719909 566529880 /nfs/dbraw/zinc/52/98/80/566529880.db2.gz QZGQTLBPYUMTLX-ZDUSSCGKSA-N 0 0 380.491 3.190 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[C@H](O)C(F)(F)F ZINC000512412017 566532727 /nfs/dbraw/zinc/53/27/27/566532727.db2.gz RJJRXXZJMXSEOT-NSHDSACASA-N 0 0 394.147 3.053 10 5 GGBERN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000559183490 566533348 /nfs/dbraw/zinc/53/33/48/566533348.db2.gz FAXNNIMQJYUGFH-UHFFFAOYSA-N 0 0 376.221 3.263 10 5 GGBERN CSc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000603572215 566533476 /nfs/dbraw/zinc/53/34/76/566533476.db2.gz RGLJQKSNIFNUQL-UONOGXRCSA-N 0 0 382.507 3.443 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2ncsc2c1 ZINC000485943895 566541525 /nfs/dbraw/zinc/54/15/25/566541525.db2.gz VSUJCEUDSQPGGV-VIFPVBQESA-N 0 0 381.410 3.383 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1OC(F)F ZINC000512538825 566541619 /nfs/dbraw/zinc/54/16/19/566541619.db2.gz LOOILGQCHOUCBZ-MRVPVSSYSA-N 0 0 378.378 3.297 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(Cl)o2)c([N+](=O)[O-])c1 ZINC000603872702 566543710 /nfs/dbraw/zinc/54/37/10/566543710.db2.gz FNPPCBASBXWKFM-UHFFFAOYSA-N 0 0 387.845 3.484 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC(Oc2cnccn2)CC1 ZINC000486010368 566548749 /nfs/dbraw/zinc/54/87/49/566548749.db2.gz UPQKNTNTXVXHPV-UHFFFAOYSA-N 0 0 379.214 3.195 10 5 GGBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1c(F)cccc1Br ZINC000538951682 566549564 /nfs/dbraw/zinc/54/95/64/566549564.db2.gz NEPPFXCYFOJUAQ-UHFFFAOYSA-N 0 0 394.156 3.361 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c3ccccc23)n1 ZINC000539097046 566558757 /nfs/dbraw/zinc/55/87/57/566558757.db2.gz OLVFJNLUOAJGQR-UHFFFAOYSA-N 0 0 375.182 3.496 10 5 GGBERN Cc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC3 ZINC000604399050 566564290 /nfs/dbraw/zinc/56/42/90/566564290.db2.gz AEEHUJBDUXHPOU-UHFFFAOYSA-N 0 0 377.447 3.193 10 5 GGBERN COC[C@@H](Cc1ccccc1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486181483 566566317 /nfs/dbraw/zinc/56/63/17/566566317.db2.gz AIRFCDYDVHATPE-LLVKDONJSA-N 0 0 399.266 3.406 10 5 GGBERN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC[C@H]2COCC[C@H]21 ZINC000486206639 566568804 /nfs/dbraw/zinc/56/88/04/566568804.db2.gz WLALAZLTOGBPHF-DTWKUNHWSA-N 0 0 375.244 3.060 10 5 GGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000539397783 566578380 /nfs/dbraw/zinc/57/83/80/566578380.db2.gz YDBPEPBUAIEQQN-UHFFFAOYSA-N 0 0 385.203 3.467 10 5 GGBERN CCOc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000486370397 566581334 /nfs/dbraw/zinc/58/13/34/566581334.db2.gz HCNKRLFONQRJKU-SECBINFHSA-N 0 0 395.213 3.037 10 5 GGBERN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000466526437 566583257 /nfs/dbraw/zinc/58/32/57/566583257.db2.gz KAMCHFGVFPYDLA-GFCCVEGCSA-N 0 0 382.825 3.214 10 5 GGBERN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000466526438 566583280 /nfs/dbraw/zinc/58/32/80/566583280.db2.gz KAMCHFGVFPYDLA-LBPRGKRZSA-N 0 0 382.825 3.214 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cc(Br)ccc3F)no2)n1 ZINC000560006329 566584181 /nfs/dbraw/zinc/58/41/81/566584181.db2.gz XQDATADCLXKVPK-UHFFFAOYSA-N 0 0 382.149 3.430 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000466566235 566586103 /nfs/dbraw/zinc/58/61/03/566586103.db2.gz KCBIBFHGQFAHIT-HZPDHXFCSA-N 0 0 388.873 3.040 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000466566236 566586388 /nfs/dbraw/zinc/58/63/88/566586388.db2.gz KCBIBFHGQFAHIT-JKSUJKDBSA-N 0 0 388.873 3.040 10 5 GGBERN Cc1c(NC(=O)Nc2cc(C3CC3)n(C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000579177115 566586525 /nfs/dbraw/zinc/58/65/25/566586525.db2.gz XZIRZZHJGZEDHZ-UHFFFAOYSA-N 0 0 394.229 3.343 10 5 GGBERN C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000486446925 566589659 /nfs/dbraw/zinc/58/96/59/566589659.db2.gz NDONTIISPSBECE-SSDOTTSWSA-N 0 0 385.605 3.292 10 5 GGBERN O=C(c1ccsc1Br)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000449681002 566590868 /nfs/dbraw/zinc/59/08/68/566590868.db2.gz DFVBNMUHWGWYQM-UHFFFAOYSA-N 0 0 396.266 3.381 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(F)(F)F)[C@@H](C)C(C)C ZINC000579230175 566591760 /nfs/dbraw/zinc/59/17/60/566591760.db2.gz FRUDOIKKONTZFL-JTQLQIEISA-N 0 0 384.376 3.201 10 5 GGBERN O=C(Cc1ccc(Br)cc1O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000579245804 566593270 /nfs/dbraw/zinc/59/32/70/566593270.db2.gz IXVKZCYUDTVQOJ-UHFFFAOYSA-N 0 0 377.194 3.195 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCc3cc(Br)ccc32)n1 ZINC000579237344 566593777 /nfs/dbraw/zinc/59/37/77/566593777.db2.gz GUKSVKUWTBVOED-LLVKDONJSA-N 0 0 390.197 3.219 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(-n2ccnn2)c1 ZINC000560128814 566601257 /nfs/dbraw/zinc/60/12/57/566601257.db2.gz QJYARYRWXVUAII-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN O=C(Cc1ccc2c(c1)CCO2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560130071 566601574 /nfs/dbraw/zinc/60/15/74/566601574.db2.gz MFRGLSNQYSOZKN-UHFFFAOYSA-N 0 0 377.194 3.473 10 5 GGBERN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000539840610 566606507 /nfs/dbraw/zinc/60/65/07/566606507.db2.gz HECMICIXWNKKPP-HFBDOXOYSA-N 0 0 382.463 3.425 10 5 GGBERN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000539840611 566607181 /nfs/dbraw/zinc/60/71/81/566607181.db2.gz HECMICIXWNKKPP-YHAQOWFVSA-N 0 0 382.463 3.425 10 5 GGBERN COc1ccc(CNc2cc(Br)cc(F)c2C(N)=O)cc1[N+](=O)[O-] ZINC000539889271 566612449 /nfs/dbraw/zinc/61/24/49/566612449.db2.gz CXBABGXSLGPYIT-UHFFFAOYSA-N 0 0 398.188 3.216 10 5 GGBERN C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000486712546 566615067 /nfs/dbraw/zinc/61/50/67/566615067.db2.gz URACKGOBVQALRC-VIFPVBQESA-N 0 0 397.254 3.117 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000486707271 566615405 /nfs/dbraw/zinc/61/54/05/566615405.db2.gz WRCROYYOCBHKKD-SECBINFHSA-N 0 0 399.213 3.214 10 5 GGBERN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ncc(Br)cn1 ZINC000486771656 566620573 /nfs/dbraw/zinc/62/05/73/566620573.db2.gz LUJBCGFVVJFKHF-QMMMGPOBSA-N 0 0 390.197 3.120 10 5 GGBERN Cc1sc(S(=O)(=O)N2CC(c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] ZINC000467049045 566621398 /nfs/dbraw/zinc/62/13/98/566621398.db2.gz GCZBCMLLPORXQV-UHFFFAOYSA-N 0 0 395.487 3.363 10 5 GGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCOCc1ccc(Cl)cc1 ZINC000513847650 566628912 /nfs/dbraw/zinc/62/89/12/566628912.db2.gz QCXBNASDHJZACM-UHFFFAOYSA-N 0 0 384.841 3.052 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000540132236 566630647 /nfs/dbraw/zinc/63/06/47/566630647.db2.gz RNDWXQHFVDTBBX-UHFFFAOYSA-N 0 0 393.614 3.097 10 5 GGBERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425403298 566640155 /nfs/dbraw/zinc/64/01/55/566640155.db2.gz UENRULATYVDLOX-AWEZNQCLSA-N 0 0 384.274 3.190 10 5 GGBERN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425445656 566643068 /nfs/dbraw/zinc/64/30/68/566643068.db2.gz PFVAOJXRNDVOOK-AWEZNQCLSA-N 0 0 384.274 3.238 10 5 GGBERN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1C1CCC1 ZINC000514120490 566643018 /nfs/dbraw/zinc/64/30/18/566643018.db2.gz KAOAOUYGSNSNHY-UHFFFAOYSA-N 0 0 381.845 3.375 10 5 GGBERN Cn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CCC1 ZINC000514120085 566643813 /nfs/dbraw/zinc/64/38/13/566643813.db2.gz DTKCXNUSVMYSLV-UHFFFAOYSA-N 0 0 381.845 3.375 10 5 GGBERN C/C=C/C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)OCC ZINC000560629123 566645244 /nfs/dbraw/zinc/64/52/44/566645244.db2.gz JLYKOZNHBWRGBY-YVARQFDVSA-N 0 0 399.241 3.293 10 5 GGBERN Cn1nccc1C1=CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425463132 566645399 /nfs/dbraw/zinc/64/53/99/566645399.db2.gz XLONINAMGVFBAN-UHFFFAOYSA-N 0 0 377.242 3.380 10 5 GGBERN Cc1sc(S(=O)(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000467412082 566645573 /nfs/dbraw/zinc/64/55/73/566645573.db2.gz GRJOUTRXBNGUTN-ABAIWWIYSA-N 0 0 382.463 3.115 10 5 GGBERN CCc1cc(Br)cc2c1N(C(=O)c1nn(C)cc1[N+](=O)[O-])CCC2 ZINC000425624016 566659361 /nfs/dbraw/zinc/65/93/61/566659361.db2.gz CSKQCFARQDEZMO-UHFFFAOYSA-N 0 0 393.241 3.246 10 5 GGBERN Cc1nn(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C)c1Cl ZINC000560800013 566659514 /nfs/dbraw/zinc/65/95/14/566659514.db2.gz LNRHMZBDRQLSEK-UHFFFAOYSA-N 0 0 387.621 3.463 10 5 GGBERN C[C@@H](CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)NC(=O)C1CCCC1 ZINC000560796632 566659980 /nfs/dbraw/zinc/65/99/80/566659980.db2.gz LQTUBPVMNSRGMD-JTQLQIEISA-N 0 0 398.257 3.381 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(NCC2CC2)nc1 ZINC000560797248 566660090 /nfs/dbraw/zinc/66/00/90/566660090.db2.gz PAAYFVBJZKRBQB-UHFFFAOYSA-N 0 0 391.225 3.248 10 5 GGBERN CCc1cc(Br)cc2c1N(C(=O)Cn1ccc([N+](=O)[O-])n1)CCC2 ZINC000425636597 566662456 /nfs/dbraw/zinc/66/24/56/566662456.db2.gz WLFTWVTURWVZAP-UHFFFAOYSA-N 0 0 393.241 3.096 10 5 GGBERN CCO[C@@H](CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(C)C ZINC000467770424 566663652 /nfs/dbraw/zinc/66/36/52/566663652.db2.gz MGXGKBVBBQYXMV-HNNXBMFYSA-N 0 0 378.878 3.286 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000540739770 566670134 /nfs/dbraw/zinc/67/01/34/566670134.db2.gz OFVSEPJJQCCEJY-OLZOCXBDSA-N 0 0 390.889 3.429 10 5 GGBERN Cc1cc(Cc2noc(-c3nn(C)cc3[N+](=O)[O-])n2)ccc1Br ZINC000580250710 566678327 /nfs/dbraw/zinc/67/83/27/566678327.db2.gz LMMQKJCZSHMQJB-UHFFFAOYSA-N 0 0 378.186 3.040 10 5 GGBERN O=C([C@@H]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1)N1CCCCC1 ZINC000580299639 566681277 /nfs/dbraw/zinc/68/12/77/566681277.db2.gz YHMURTFCXLGXIH-YPMHNXCESA-N 0 0 397.273 3.345 10 5 GGBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCc2sc(Cl)cc2C1 ZINC000580313964 566683091 /nfs/dbraw/zinc/68/30/91/566683091.db2.gz WRVLGFBZKIBPAP-UHFFFAOYSA-N 0 0 380.809 3.279 10 5 GGBERN Cc1ccc(NCCCNC(=O)c2ncsc2Br)c([N+](=O)[O-])c1 ZINC000580356813 566685585 /nfs/dbraw/zinc/68/55/85/566685585.db2.gz OWDIPAOHNGSEOI-UHFFFAOYSA-N 0 0 399.270 3.354 10 5 GGBERN CCS(=O)(=O)c1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])s1 ZINC000487725837 566688505 /nfs/dbraw/zinc/68/85/05/566688505.db2.gz WSVJSOCWOSZUAL-UHFFFAOYSA-N 0 0 377.447 3.032 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450658611 566694903 /nfs/dbraw/zinc/69/49/03/566694903.db2.gz NQVUXHANBWSVAV-CZUORRHYSA-N 0 0 396.216 3.057 10 5 GGBERN O=[N+]([O-])c1cnc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(Br)c1 ZINC000450659469 566695080 /nfs/dbraw/zinc/69/50/80/566695080.db2.gz QQFYLHSXSSCNBR-CZUORRHYSA-N 0 0 396.216 3.057 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2n[nH]c(Cc3cccs3)n2)c1 ZINC000541113897 566698236 /nfs/dbraw/zinc/69/82/36/566698236.db2.gz YPOSEELFUDGGJL-UHFFFAOYSA-N 0 0 376.419 3.303 10 5 GGBERN Cn1cc(Br)c(CNc2ccc([N+](=O)[O-])cc2OC(F)F)n1 ZINC000450730649 566701484 /nfs/dbraw/zinc/70/14/84/566701484.db2.gz XCHJAXIREBLKFT-UHFFFAOYSA-N 0 0 377.145 3.304 10 5 GGBERN COC(=O)c1cnc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000561433709 566704877 /nfs/dbraw/zinc/70/48/77/566704877.db2.gz IHWZKZMCJISGEE-UHFFFAOYSA-N 0 0 381.797 3.404 10 5 GGBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1nc2cc(Br)cnc2[nH]1 ZINC000488119363 566707172 /nfs/dbraw/zinc/70/71/72/566707172.db2.gz BYCKMYILFJQWIB-UHFFFAOYSA-N 0 0 399.208 3.211 10 5 GGBERN COc1ccc(C[C@H](CO)CNc2ccc([N+](=O)[O-])nc2)cc1Br ZINC000450839140 566711092 /nfs/dbraw/zinc/71/10/92/566711092.db2.gz BMVQNJSBMGBXSX-LBPRGKRZSA-N 0 0 396.241 3.024 10 5 GGBERN CC(C)n1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nn1 ZINC000426451239 566711723 /nfs/dbraw/zinc/71/17/23/566711723.db2.gz QSWSSOILCYTSMY-UHFFFAOYSA-N 0 0 393.201 3.171 10 5 GGBERN O=C(CSc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000541296945 566711758 /nfs/dbraw/zinc/71/17/58/566711758.db2.gz TZXCLTWPVMDOJN-KGLIPLIRSA-N 0 0 382.507 3.200 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCOc3cccc(F)c32)cc1[N+](=O)[O-] ZINC000468607838 566714719 /nfs/dbraw/zinc/71/47/19/566714719.db2.gz DJUKOIKKVDXGBB-UHFFFAOYSA-N 0 0 386.788 3.283 10 5 GGBERN C[C@H]1CN(CC(F)(F)F)CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000450877520 566715324 /nfs/dbraw/zinc/71/53/24/566715324.db2.gz UBBYBYYMWJUBGE-VIFPVBQESA-N 0 0 397.195 3.073 10 5 GGBERN C[C@H]1CN(CC(F)(F)F)CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000450881135 566715983 /nfs/dbraw/zinc/71/59/83/566715983.db2.gz YQEUJTQRVJDGHJ-VIFPVBQESA-N 0 0 397.195 3.073 10 5 GGBERN Cc1c(Br)cccc1C[C@@H](CO)CNc1ccc([N+](=O)[O-])nc1 ZINC000450890613 566717774 /nfs/dbraw/zinc/71/77/74/566717774.db2.gz VYPJIYWTYJBRRV-GFCCVEGCSA-N 0 0 380.242 3.324 10 5 GGBERN Nc1c(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000468698725 566721582 /nfs/dbraw/zinc/72/15/82/566721582.db2.gz OMRFRHABGFWGEV-GFCCVEGCSA-N 0 0 392.209 3.193 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[nH]nc1-c1ccccn1 ZINC000488347297 566722021 /nfs/dbraw/zinc/72/20/21/566722021.db2.gz LGPYVVNMAVCIHK-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN COC(=O)Cc1occ(C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000488357048 566723770 /nfs/dbraw/zinc/72/37/70/566723770.db2.gz OSGIFHXKHYMBJT-UHFFFAOYSA-N 0 0 397.181 3.227 10 5 GGBERN CCOC(=O)[C@H](c1ccc(Br)cc1F)n1cc([N+](=O)[O-])c(C)n1 ZINC000450961395 566724022 /nfs/dbraw/zinc/72/40/22/566724022.db2.gz RAYPMXIMKOCUMT-ZDUSSCGKSA-N 0 0 386.177 3.154 10 5 GGBERN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000426717747 566724838 /nfs/dbraw/zinc/72/48/38/566724838.db2.gz RPVYLPFGRJLRBW-OAHLLOKOSA-N 0 0 379.210 3.143 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2nc3cc(Br)cnc3[nH]2)n1 ZINC000580854334 566729597 /nfs/dbraw/zinc/72/95/97/566729597.db2.gz TVVBCWDUDPFNRY-UHFFFAOYSA-N 0 0 377.202 3.253 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000608809431 566735463 /nfs/dbraw/zinc/73/54/63/566735463.db2.gz IHQIILUNBJLWSL-HUUCEWRRSA-N 0 0 376.210 3.347 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000608809430 566735882 /nfs/dbraw/zinc/73/58/82/566735882.db2.gz IHQIILUNBJLWSL-GJZGRUSLSA-N 0 0 376.210 3.347 10 5 GGBERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000488625978 566737016 /nfs/dbraw/zinc/73/70/16/566737016.db2.gz IAUYPHFAJQYDNL-JTQLQIEISA-N 0 0 399.241 3.161 10 5 GGBERN C[C@H]1COCC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000561891246 566746133 /nfs/dbraw/zinc/74/61/33/566746133.db2.gz CCAUYTFIHZPXEU-CABZTGNLSA-N 0 0 382.214 3.471 10 5 GGBERN COCCN(Cc1scnc1C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000488838788 566751140 /nfs/dbraw/zinc/75/11/40/566751140.db2.gz DWACOQBWIUMQDN-UHFFFAOYSA-N 0 0 381.479 3.370 10 5 GGBERN Cc1ncc2n1C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000581135622 566752331 /nfs/dbraw/zinc/75/23/31/566752331.db2.gz KFGISWHROZJVSR-SNVBAGLBSA-N 0 0 379.214 3.063 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000609199272 566753819 /nfs/dbraw/zinc/75/38/19/566753819.db2.gz RBSYRFQFPSAIGF-UHFFFAOYSA-N 0 0 376.768 3.313 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000609334829 566759067 /nfs/dbraw/zinc/75/90/67/566759067.db2.gz DSJGRBPMSRBQQU-UHFFFAOYSA-N 0 0 376.862 3.135 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000488965117 566759827 /nfs/dbraw/zinc/75/98/27/566759827.db2.gz BHHAEDVFWCKZSP-STQMWFEESA-N 0 0 397.250 3.192 10 5 GGBERN COCCN(c1ccccc1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000451106679 566760141 /nfs/dbraw/zinc/76/01/41/566760141.db2.gz WWLRYTNGLSPCKL-UHFFFAOYSA-N 0 0 384.841 3.398 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)n1 ZINC000427388572 566770359 /nfs/dbraw/zinc/77/03/59/566770359.db2.gz BDAVJYXAJRSBLE-GFCCVEGCSA-N 0 0 376.722 3.498 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)n1 ZINC000427381707 566770390 /nfs/dbraw/zinc/77/03/90/566770390.db2.gz AJSBFVPYYMRASP-JTQLQIEISA-N 0 0 393.241 3.161 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(Br)cc(C)c3C2)n1 ZINC000427371975 566770433 /nfs/dbraw/zinc/77/04/33/566770433.db2.gz HOCSOOHDFWOSKY-UHFFFAOYSA-N 0 0 393.241 3.081 10 5 GGBERN O=c1[nH]c(NCc2ccsc2Br)nc2ccc([N+](=O)[O-])cc12 ZINC000516591628 566770710 /nfs/dbraw/zinc/77/07/10/566770710.db2.gz GPZJGBORMHICOA-UHFFFAOYSA-N 0 0 381.211 3.102 10 5 GGBERN Cc1nc2ccc(S(=O)(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2s1 ZINC000489111411 566771201 /nfs/dbraw/zinc/77/12/01/566771201.db2.gz ALNKQTDJPPRHLK-UHFFFAOYSA-N 0 0 377.447 3.334 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3cccc(Br)c3n2)n1 ZINC000427406134 566771942 /nfs/dbraw/zinc/77/19/42/566771942.db2.gz SOHBQVVIEDFTCM-UHFFFAOYSA-N 0 0 390.197 3.374 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2nc(C(F)(F)F)cs2)c1 ZINC000542044356 566772343 /nfs/dbraw/zinc/77/23/43/566772343.db2.gz BBVZVLDFAIMEKS-UHFFFAOYSA-N 0 0 375.328 3.493 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2c(C)cc(Br)cc2C)n1 ZINC000427449613 566773379 /nfs/dbraw/zinc/77/33/79/566773379.db2.gz HWPZMPGVAXJJFE-UHFFFAOYSA-N 0 0 381.230 3.121 10 5 GGBERN O=C(c1csc([N+](=O)[O-])c1)N(CCO)Cc1cc(Br)cs1 ZINC000427568023 566780216 /nfs/dbraw/zinc/78/02/16/566780216.db2.gz CCELQOBECXCCCE-UHFFFAOYSA-N 0 0 391.268 3.115 10 5 GGBERN Cc1ccc(C(=O)N(CCO)Cc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000427583869 566781919 /nfs/dbraw/zinc/78/19/19/566781919.db2.gz RRECVLMEMFTBSG-UHFFFAOYSA-N 0 0 399.266 3.362 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2NC2CC2)n1 ZINC000427620822 566782573 /nfs/dbraw/zinc/78/25/73/566782573.db2.gz KLAKUEUXDVPTCN-UHFFFAOYSA-N 0 0 394.229 3.400 10 5 GGBERN Cc1cc(=O)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1C1CC1 ZINC000516796473 566783344 /nfs/dbraw/zinc/78/33/44/566783344.db2.gz HIRXXDIHACHICF-UHFFFAOYSA-N 0 0 392.209 3.415 10 5 GGBERN Cc1nc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)nc2ccccc12 ZINC000542216672 566784151 /nfs/dbraw/zinc/78/41/51/566784151.db2.gz HPHPIRSIIMEFJJ-UHFFFAOYSA-N 0 0 389.209 3.127 10 5 GGBERN Cc1c(Br)cc(C(=O)Nc2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000542246130 566786430 /nfs/dbraw/zinc/78/64/30/566786430.db2.gz HOBFEKRJPCLXNF-UHFFFAOYSA-N 0 0 382.218 3.265 10 5 GGBERN COCCN(Cc1ccc(Br)s1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000427725699 566789753 /nfs/dbraw/zinc/78/97/53/566789753.db2.gz IWAXDSPYSUJHIJ-UHFFFAOYSA-N 0 0 389.227 3.301 10 5 GGBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000609841106 566790492 /nfs/dbraw/zinc/79/04/92/566790492.db2.gz AMSGGZBBXKQYBL-WCBMZHEXSA-N 0 0 385.877 3.420 10 5 GGBERN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC[C@@H]1CCOC1 ZINC000542300441 566791968 /nfs/dbraw/zinc/79/19/68/566791968.db2.gz UTZAFIPKTRJHQU-SNVBAGLBSA-N 0 0 378.372 3.249 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCc2sc(Cl)cc2C1 ZINC000516923909 566793599 /nfs/dbraw/zinc/79/35/99/566793599.db2.gz BHMRNZGCAKQLEQ-UHFFFAOYSA-N 0 0 386.882 3.240 10 5 GGBERN CN(C)Cc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1Br ZINC000469494603 566794238 /nfs/dbraw/zinc/79/42/38/566794238.db2.gz VPCRZPPRWVVTAM-UHFFFAOYSA-N 0 0 393.241 3.253 10 5 GGBERN CC(=O)c1cc(Br)ccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000542333744 566794786 /nfs/dbraw/zinc/79/47/86/566794786.db2.gz VPJQWMZQFZHFOF-UHFFFAOYSA-N 0 0 395.213 3.130 10 5 GGBERN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000489648628 566801419 /nfs/dbraw/zinc/80/14/19/566801419.db2.gz GETAVVASOAUZJM-UHFFFAOYSA-N 0 0 377.710 3.285 10 5 GGBERN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)C[C@H]2CCCC2(F)F)cc1 ZINC000451360885 566803839 /nfs/dbraw/zinc/80/38/39/566803839.db2.gz NJAGXXZUDUZEEZ-OCCSQVGLSA-N 0 0 392.449 3.407 10 5 GGBERN Cc1c(Br)c(N2CC[C@H](C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000542505390 566806737 /nfs/dbraw/zinc/80/67/37/566806737.db2.gz FQUPMQSXMFGDHP-JTQLQIEISA-N 0 0 386.246 3.229 10 5 GGBERN O=C(c1cc[nH]c(=O)c1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000469670138 566806866 /nfs/dbraw/zinc/80/68/66/566806866.db2.gz KKPNZCUFCLQCST-UHFFFAOYSA-N 0 0 392.209 3.263 10 5 GGBERN Cc1c(Br)c(NCc2cn3cc(Cl)ccc3n2)ncc1[N+](=O)[O-] ZINC000542506456 566807494 /nfs/dbraw/zinc/80/74/94/566807494.db2.gz LJBLNEGHSZYFDL-UHFFFAOYSA-N 0 0 396.632 3.396 10 5 GGBERN Cc1c(Br)c(N[C@@H](c2nc[nH]n2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000489901621 566815942 /nfs/dbraw/zinc/81/59/42/566815942.db2.gz XCTMFSZZMFONPT-CYBMUJFWSA-N 0 0 389.213 3.380 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccccc2C(F)(F)F)s1 ZINC000517373870 566822921 /nfs/dbraw/zinc/82/29/21/566822921.db2.gz SPYSHAOTBPBORF-UHFFFAOYSA-N 0 0 396.368 3.032 10 5 GGBERN COc1cnc(NCc2cc(OC)c(O)cc2[N+](=O)[O-])c(Br)c1 ZINC000490012912 566824686 /nfs/dbraw/zinc/82/46/86/566824686.db2.gz KCJCPCUPRRDTFI-UHFFFAOYSA-N 0 0 384.186 3.087 10 5 GGBERN CO[C@@H](CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000469936356 566829306 /nfs/dbraw/zinc/82/93/06/566829306.db2.gz AAOLBYOWYSUIFW-PELKAZGASA-N 0 0 384.738 3.099 10 5 GGBERN Cc1cc(Br)cc2c1CN(C(=O)Nc1ccncc1[N+](=O)[O-])CC2 ZINC000542837561 566830940 /nfs/dbraw/zinc/83/09/40/566830940.db2.gz JQGLXIFSOPUDRR-UHFFFAOYSA-N 0 0 391.225 3.073 10 5 GGBERN CNc1c(C(=O)NCc2ccc(Br)cc2OC)cccc1[N+](=O)[O-] ZINC000428281077 566831253 /nfs/dbraw/zinc/83/12/53/566831253.db2.gz QIORJQWYJKQULN-UHFFFAOYSA-N 0 0 394.225 3.338 10 5 GGBERN COc1ccc(NC(=O)c2n[nH]c3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000542999430 566845643 /nfs/dbraw/zinc/84/56/43/566845643.db2.gz CPRPLIHUPRYHCK-UHFFFAOYSA-N 0 0 391.181 3.495 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2sc(Cl)cc2C1 ZINC000563059250 566849220 /nfs/dbraw/zinc/84/92/20/566849220.db2.gz SGAYOKKEDBACKQ-UHFFFAOYSA-N 0 0 388.854 3.065 10 5 GGBERN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccncc1 ZINC000610668519 566852327 /nfs/dbraw/zinc/85/23/27/566852327.db2.gz BVZFCIRPJMWLSO-NSHDSACASA-N 0 0 378.226 3.215 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc2nccn2c1 ZINC000610667294 566852813 /nfs/dbraw/zinc/85/28/13/566852813.db2.gz KKZYNZGWFFQXHT-UHFFFAOYSA-N 0 0 375.182 3.186 10 5 GGBERN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000610715743 566856735 /nfs/dbraw/zinc/85/67/35/566856735.db2.gz CNADVRVAINZZAS-AWEZNQCLSA-N 0 0 376.862 3.122 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000610728136 566857683 /nfs/dbraw/zinc/85/76/83/566857683.db2.gz ZKODUWPYRAASOF-UHFFFAOYSA-N 0 0 394.200 3.398 10 5 GGBERN CCCOc1ccc(Br)cc1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000563128877 566858211 /nfs/dbraw/zinc/85/82/11/566858211.db2.gz ONAWZRHGNXAHAL-UHFFFAOYSA-N 0 0 385.189 3.495 10 5 GGBERN O=C(N[C@H]1CCOc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000610771015 566860947 /nfs/dbraw/zinc/86/09/47/566860947.db2.gz ITUCMHHHQCORLT-LBPRGKRZSA-N 0 0 378.182 3.006 10 5 GGBERN CO[C@H](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000470333358 566864427 /nfs/dbraw/zinc/86/44/27/566864427.db2.gz HGAQXBHZZIBMSV-LLVKDONJSA-N 0 0 386.779 3.424 10 5 GGBERN COC(=O)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Br ZINC000610909989 566873730 /nfs/dbraw/zinc/87/37/30/566873730.db2.gz ZQVJSCPAVZAHJD-UHFFFAOYSA-N 0 0 394.225 3.322 10 5 GGBERN Cn1c(C(=O)NCc2cc3cccnc3cc2Br)ccc1[N+](=O)[O-] ZINC000610919401 566874409 /nfs/dbraw/zinc/87/44/09/566874409.db2.gz IBXHBBACQCKDKF-UHFFFAOYSA-N 0 0 389.209 3.174 10 5 GGBERN COC(=O)c1cc(C)nc(NCc2ccc(F)cc2Br)c1[N+](=O)[O-] ZINC000582550885 566874461 /nfs/dbraw/zinc/87/44/61/566874461.db2.gz FRLLDGIJDVHEJJ-UHFFFAOYSA-N 0 0 398.188 3.020 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2sc(Br)cc2C1 ZINC000610934135 566876223 /nfs/dbraw/zinc/87/62/23/566876223.db2.gz NEYYYUFRBGMLIO-UHFFFAOYSA-N 0 0 382.239 3.321 10 5 GGBERN O=C(NCc1cc(F)cc(Br)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518321393 566877977 /nfs/dbraw/zinc/87/79/77/566877977.db2.gz FUSVBHYKUFYTTH-UHFFFAOYSA-N 0 0 397.156 3.155 10 5 GGBERN CCOC(=O)CCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000610969634 566878803 /nfs/dbraw/zinc/87/88/03/566878803.db2.gz CWFTTWAGNIJQSN-UHFFFAOYSA-N 0 0 386.246 3.312 10 5 GGBERN Cc1c(Br)c(NCCCc2nc(C(C)C)no2)ncc1[N+](=O)[O-] ZINC000543449563 566881962 /nfs/dbraw/zinc/88/19/62/566881962.db2.gz JCERTJXQMYETII-UHFFFAOYSA-N 0 0 384.234 3.034 10 5 GGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000451791328 566882104 /nfs/dbraw/zinc/88/21/04/566882104.db2.gz ZVXJQTJJQLCQNE-YPMHNXCESA-N 0 0 380.388 3.130 10 5 GGBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000451791325 566882624 /nfs/dbraw/zinc/88/26/24/566882624.db2.gz ZVXJQTJJQLCQNE-AAEUAGOBSA-N 0 0 380.388 3.130 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCS[C@@H](c3ccccc3)C2)c1 ZINC000611033035 566885456 /nfs/dbraw/zinc/88/54/56/566885456.db2.gz YNUVNGLNCCFMGZ-QGZVFWFLSA-N 0 0 378.475 3.215 10 5 GGBERN 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COC(=O)c1coc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431254171 567069809 /nfs/dbraw/zinc/06/98/09/567069809.db2.gz GFDFBOPYNJPQPN-UHFFFAOYSA-N 0 0 383.154 3.298 10 5 GGBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000584818437 567073377 /nfs/dbraw/zinc/07/33/77/567073377.db2.gz AIGKBAJPUVSKHQ-WQGACYEGSA-N 0 0 386.495 3.015 10 5 GGBERN CCOc1ccc([C@H](C)NCc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000453311301 567074792 /nfs/dbraw/zinc/07/47/92/567074792.db2.gz SKINAFYBGXFPKA-JTQLQIEISA-N 0 0 383.246 3.340 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cnc(C(F)(F)F)nc1 ZINC000585750399 567085860 /nfs/dbraw/zinc/08/58/60/567085860.db2.gz CXECKGUUTVHIQZ-UHFFFAOYSA-N 0 0 391.103 3.418 10 5 GGBERN COC(=O)Cc1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000585750426 567085973 /nfs/dbraw/zinc/08/59/73/567085973.db2.gz MZRDDMXYSQIDPI-UHFFFAOYSA-N 0 0 393.193 3.325 10 5 GGBERN CCOC(=O)c1cc(N[C@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000431503946 567086722 /nfs/dbraw/zinc/08/67/22/567086722.db2.gz CUMOPOSBUCKNEN-SECBINFHSA-N 0 0 395.213 3.497 10 5 GGBERN COC(=O)c1cc(N[C@H](C)c2ncc(Br)cn2)cc(C)c1[N+](=O)[O-] ZINC000431501211 567086754 /nfs/dbraw/zinc/08/67/54/567086754.db2.gz WOYSYQOZNKOEAK-SECBINFHSA-N 0 0 395.213 3.415 10 5 GGBERN C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000585760846 567087496 /nfs/dbraw/zinc/08/74/96/567087496.db2.gz QUEYVOZKXVHHGP-MRVPVSSYSA-N 0 0 398.238 3.235 10 5 GGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1CO ZINC000565672679 567087836 /nfs/dbraw/zinc/08/78/36/567087836.db2.gz WNTVHZMSZUTXGF-UHFFFAOYSA-N 0 0 395.209 3.419 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC(C2CCOCC2)C1 ZINC000585808180 567091581 /nfs/dbraw/zinc/09/15/81/567091581.db2.gz UFBSTOUWWBSTNY-UHFFFAOYSA-N 0 0 384.230 3.248 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC000585810140 567091619 /nfs/dbraw/zinc/09/16/19/567091619.db2.gz OFPXQGKQXOFKJM-UHFFFAOYSA-N 0 0 378.138 3.456 10 5 GGBERN CC(C)(C)C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000431587996 567094120 /nfs/dbraw/zinc/09/41/20/567094120.db2.gz YUKNLRGCDFYDMB-UHFFFAOYSA-N 0 0 379.276 3.460 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000565734450 567094836 /nfs/dbraw/zinc/09/48/36/567094836.db2.gz AEDJJIUMTCJXPG-ZDUSSCGKSA-N 0 0 390.237 3.457 10 5 GGBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cn1 ZINC000586806267 567098367 /nfs/dbraw/zinc/09/83/67/567098367.db2.gz LWLAGFMGUUOPDX-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN Cc1c(Br)c(N[C@@H]2CS(=O)(=O)c3ccccc32)ncc1[N+](=O)[O-] ZINC000546051056 567098855 /nfs/dbraw/zinc/09/88/55/567098855.db2.gz FTYWTTUXAUDRRN-SNVBAGLBSA-N 0 0 398.238 3.001 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCCC[C@@H]1CCO ZINC000586835088 567099500 /nfs/dbraw/zinc/09/95/00/567099500.db2.gz DCNJWXJGVVYGCG-CYBMUJFWSA-N 0 0 385.258 3.053 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cnn(-c2cccnc2)c1 ZINC000586836005 567101070 /nfs/dbraw/zinc/10/10/70/567101070.db2.gz CYWDUVVAADEYQP-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000586835980 567101129 /nfs/dbraw/zinc/10/11/29/567101129.db2.gz SJDZWKZNRDDRLC-UHFFFAOYSA-N 0 0 393.153 3.160 10 5 GGBERN COC(=O)c1cc(C)nc(NCc2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000587579016 567104328 /nfs/dbraw/zinc/10/43/28/567104328.db2.gz JDISYUFGPHHENT-UHFFFAOYSA-N 0 0 398.188 3.020 10 5 GGBERN CN(Cc1cc(Br)ccc1F)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587560567 567104549 /nfs/dbraw/zinc/10/45/49/567104549.db2.gz FBCKMDZZAMZCGD-UHFFFAOYSA-N 0 0 384.205 3.207 10 5 GGBERN Nc1cc(N[C@@H]2C[C@H]2c2cccc(Br)c2)cc(CO)c1[N+](=O)[O-] ZINC000587797254 567104588 /nfs/dbraw/zinc/10/45/88/567104588.db2.gz USZWHXMTYIMTTP-DZGCQCFKSA-N 0 0 378.226 3.400 10 5 GGBERN CC1(C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2ccc(Br)cc21 ZINC000587519886 567104689 /nfs/dbraw/zinc/10/46/89/567104689.db2.gz UPCDTZKVQGMIEI-UHFFFAOYSA-N 0 0 392.209 3.396 10 5 GGBERN COc1ccc(Br)c(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587337211 567104731 /nfs/dbraw/zinc/10/47/31/567104731.db2.gz ZYYSCCPTIHGMLU-UHFFFAOYSA-N 0 0 382.214 3.053 10 5 GGBERN Nc1cc(N2CCc3cc(Br)cc(F)c3C2)cc(CO)c1[N+](=O)[O-] ZINC000588012271 567108247 /nfs/dbraw/zinc/10/82/47/567108247.db2.gz MGTYMTGUEAUAMA-UHFFFAOYSA-N 0 0 396.216 3.134 10 5 GGBERN Nc1cc(N2CCc3sc(Br)cc3C2)cc(CO)c1[N+](=O)[O-] ZINC000588003444 567108320 /nfs/dbraw/zinc/10/83/20/567108320.db2.gz ARYBJBIAXPGFFB-UHFFFAOYSA-N 0 0 384.255 3.056 10 5 GGBERN Cc1nc([C@@](C)(NC(=O)c2ccc([N+](=O)[O-])cc2Br)C2CC2)no1 ZINC000497578047 567110681 /nfs/dbraw/zinc/11/06/81/567110681.db2.gz JYKDYOLEYQKTNC-HNNXBMFYSA-N 0 0 395.213 3.104 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1N1CC[C@@]2(C1)CCCOC2 ZINC000588051923 567110770 /nfs/dbraw/zinc/11/07/70/567110770.db2.gz FDEOZDRBOBNMKE-CQSZACIVSA-N 0 0 388.205 3.206 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1NCc1nc2ccccc2n1C1CC1 ZINC000565922426 567111150 /nfs/dbraw/zinc/11/11/50/567111150.db2.gz LGKWNALAIXINPX-UHFFFAOYSA-N 0 0 388.225 3.471 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1N1CC[C@]2(C1)CCCOC2 ZINC000588051922 567111493 /nfs/dbraw/zinc/11/14/93/567111493.db2.gz FDEOZDRBOBNMKE-AWEZNQCLSA-N 0 0 388.205 3.206 10 5 GGBERN Cc1c(Br)c(N2C[C@@H](C(F)(F)F)OC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000588068426 567111533 /nfs/dbraw/zinc/11/15/33/567111533.db2.gz NNIVOCYBIFUPBJ-RCOVLWMOSA-N 0 0 384.152 3.217 10 5 GGBERN C[C@@H](NC(=O)N[C@@H](C)c1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000431841425 567112197 /nfs/dbraw/zinc/11/21/97/567112197.db2.gz DLJVFSBDKXIRME-ZJUUUORDSA-N 0 0 394.229 3.269 10 5 GGBERN Cc1nc([C@@](C)(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C2CC2)no1 ZINC000497616026 567113007 /nfs/dbraw/zinc/11/30/07/567113007.db2.gz BMJHAGWRULZQMU-HNNXBMFYSA-N 0 0 395.213 3.104 10 5 GGBERN COC(=O)c1[nH]c(C)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000565958278 567114338 /nfs/dbraw/zinc/11/43/38/567114338.db2.gz ZQNPTCRTNKJWGC-UHFFFAOYSA-N 0 0 396.197 3.341 10 5 GGBERN Cc1c(CNC(=O)N[C@@H](C)c2ncc(Br)cn2)cccc1[N+](=O)[O-] ZINC000431899096 567115164 /nfs/dbraw/zinc/11/51/64/567115164.db2.gz PJNQLJSNJUUJAG-JTQLQIEISA-N 0 0 394.229 3.016 10 5 GGBERN O=[N+]([O-])c1ccccc1-c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000546244264 567117911 /nfs/dbraw/zinc/11/79/11/567117911.db2.gz DJLOZFYNZQFYGR-UHFFFAOYSA-N 0 0 379.781 3.272 10 5 GGBERN O=[N+]([O-])c1ccc(-c2noc(CS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000546258629 567119515 /nfs/dbraw/zinc/11/95/15/567119515.db2.gz WUCWVJQGDCZNAO-UHFFFAOYSA-N 0 0 379.781 3.272 10 5 GGBERN O=C(Cc1cscc1Br)NCCNc1ccccc1[N+](=O)[O-] ZINC000432048087 567127247 /nfs/dbraw/zinc/12/72/47/567127247.db2.gz QXOGPXFVQFICIP-UHFFFAOYSA-N 0 0 384.255 3.190 10 5 GGBERN O=C(c1cccc(F)c1Br)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000497846955 567127910 /nfs/dbraw/zinc/12/79/10/567127910.db2.gz MCSHDQRDXQFKKC-UHFFFAOYSA-N 0 0 380.173 3.090 10 5 GGBERN Cc1nc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000497947688 567135146 /nfs/dbraw/zinc/13/51/46/567135146.db2.gz BFSLKOKELFHPNA-ZDUSSCGKSA-N 0 0 385.492 3.104 10 5 GGBERN NC(=O)[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000522935235 567136967 /nfs/dbraw/zinc/13/69/67/567136967.db2.gz DCQYMBZIBDTNRZ-LLVKDONJSA-N 0 0 385.605 3.044 10 5 GGBERN Cc1c(NC(=O)C(=O)NC2(C3(C)CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000454023760 567137137 /nfs/dbraw/zinc/13/71/37/567137137.db2.gz ZRTBVPXIQJTYTM-UHFFFAOYSA-N 0 0 396.241 3.053 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3Cl)CC2)s1 ZINC000497970991 567137714 /nfs/dbraw/zinc/13/77/14/567137714.db2.gz SHGBQXRPNIEBIU-UHFFFAOYSA-N 0 0 390.845 3.459 10 5 GGBERN O=[N+]([O-])c1ccc(OC[C@@H](O)COc2c(Cl)cccc2Cl)cc1CO ZINC000432238284 567139518 /nfs/dbraw/zinc/13/95/18/567139518.db2.gz OZWSGZPKDXRDIS-LLVKDONJSA-N 0 0 388.203 3.213 10 5 GGBERN CCCCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000474201990 567146379 /nfs/dbraw/zinc/14/63/79/567146379.db2.gz YVEMLJZLMPASEW-NEPJUHHUSA-N 0 0 376.500 3.261 10 5 GGBERN C[C@@H]1CC2(CCC2)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000432310281 567150440 /nfs/dbraw/zinc/15/04/40/567150440.db2.gz HIJSKUXCLNXODH-SNVBAGLBSA-N 0 0 389.271 3.311 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000589021578 567151480 /nfs/dbraw/zinc/15/14/80/567151480.db2.gz NXGOMQICPOPSBT-RNCFNFMXSA-N 0 0 378.372 3.499 10 5 GGBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589021856 567151553 /nfs/dbraw/zinc/15/15/53/567151553.db2.gz UKCZGTNVBFAJOE-WRWORJQWSA-N 0 0 397.147 3.149 10 5 GGBERN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)ccc2Cl)c([N+](=O)[O-])c1 ZINC000474319038 567158774 /nfs/dbraw/zinc/15/87/74/567158774.db2.gz TUGWNFYSRKXWHV-UHFFFAOYSA-N 0 0 384.797 3.144 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000432481976 567162670 /nfs/dbraw/zinc/16/26/70/567162670.db2.gz DQENQVDTIABPNM-SECBINFHSA-N 0 0 380.202 3.338 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000432481977 567163253 /nfs/dbraw/zinc/16/32/53/567163253.db2.gz DQENQVDTIABPNM-VIFPVBQESA-N 0 0 380.202 3.338 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN2CC[C@@H](C(F)F)C2)c1 ZINC000589258222 567170323 /nfs/dbraw/zinc/17/03/23/567170323.db2.gz VIWSOMSYUHWHQF-SECBINFHSA-N 0 0 382.148 3.286 10 5 GGBERN CC[C@H](C)C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000566622895 567173437 /nfs/dbraw/zinc/17/34/37/567173437.db2.gz QKMHOEMFGWRAIA-JOYOIKCWSA-N 0 0 387.230 3.065 10 5 GGBERN Cc1c(NC(=O)N[C@H](C)c2ncc(Br)cn2)cccc1[N+](=O)[O-] ZINC000432735426 567183692 /nfs/dbraw/zinc/18/36/92/567183692.db2.gz JEHIHPBDPSJMIN-SECBINFHSA-N 0 0 380.202 3.338 10 5 GGBERN Cc1c(NC(=O)N[C@@H](C)c2ncc(Br)cn2)cccc1[N+](=O)[O-] ZINC000432735427 567183861 /nfs/dbraw/zinc/18/38/61/567183861.db2.gz JEHIHPBDPSJMIN-VIFPVBQESA-N 0 0 380.202 3.338 10 5 GGBERN COC[C@@](C)(NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000432750883 567185038 /nfs/dbraw/zinc/18/50/38/567185038.db2.gz PJWIKLFFGHQGAV-LLVKDONJSA-N 0 0 385.136 3.055 10 5 GGBERN COc1ncc(Br)cc1Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000547179484 567189679 /nfs/dbraw/zinc/18/96/79/567189679.db2.gz VGTQEPRZQOSENR-UHFFFAOYSA-N 0 0 391.181 3.402 10 5 GGBERN CN(c1ncc([N+](=O)[O-])cc1Br)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474782943 567199158 /nfs/dbraw/zinc/19/91/58/567199158.db2.gz GWBKEOKZPYZOBH-AWEZNQCLSA-N 0 0 391.269 3.463 10 5 GGBERN CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000524575522 567204280 /nfs/dbraw/zinc/20/42/80/567204280.db2.gz VHALFGYCSOYXBZ-UHFFFAOYSA-N 0 0 384.479 3.311 10 5 GGBERN C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ncc(Br)cn1 ZINC000590062362 567205940 /nfs/dbraw/zinc/20/59/40/567205940.db2.gz VNHNNMWWMBEUTC-MRVPVSSYSA-N 0 0 375.186 3.264 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(Cc2cncn2C)no1 ZINC000566999687 567209973 /nfs/dbraw/zinc/20/99/73/567209973.db2.gz QVLJTLSXHKDWBG-UHFFFAOYSA-N 0 0 378.186 3.040 10 5 GGBERN CO[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000567032436 567212143 /nfs/dbraw/zinc/21/21/43/567212143.db2.gz REVJPPPAYYHIBU-IINYFYTJSA-N 0 0 390.221 3.056 10 5 GGBERN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ncc(Br)cn1 ZINC000432986044 567212451 /nfs/dbraw/zinc/21/24/51/567212451.db2.gz UIPVOQIMYCHZJN-MRVPVSSYSA-N 0 0 378.186 3.139 10 5 GGBERN CCOc1cc(CN[C@@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000432986633 567212604 /nfs/dbraw/zinc/21/26/04/567212604.db2.gz AUCOGOGSKROREP-JTQLQIEISA-N 0 0 381.230 3.397 10 5 GGBERN COc1cc(CN[C@H](C)c2ncc(Br)cn2)c([N+](=O)[O-])cc1F ZINC000433000242 567213971 /nfs/dbraw/zinc/21/39/71/567213971.db2.gz OFLWQRLRGGWFEL-MRVPVSSYSA-N 0 0 385.193 3.146 10 5 GGBERN COc1cc(CN[C@@H](C)c2ncc(Br)cn2)c([N+](=O)[O-])cc1F ZINC000433000243 567214550 /nfs/dbraw/zinc/21/45/50/567214550.db2.gz OFLWQRLRGGWFEL-QMMMGPOBSA-N 0 0 385.193 3.146 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(Br)cc2F)n1 ZINC000567082651 567216452 /nfs/dbraw/zinc/21/64/52/567216452.db2.gz NZCZMOXNBWXGED-MRVPVSSYSA-N 0 0 385.193 3.204 10 5 GGBERN 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/nfs/dbraw/zinc/38/07/03/567380703.db2.gz XZAHNLBSQHFJLY-NSHDSACASA-N 0 0 375.328 3.231 10 5 GGBERN CC1(C)COC[C@@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000456528908 567388405 /nfs/dbraw/zinc/38/84/05/567388405.db2.gz ZBJDEAFKXBZBOW-LBPRGKRZSA-N 0 0 378.372 3.247 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(C2(O)CC2)CC1 ZINC000593205628 567397177 /nfs/dbraw/zinc/39/71/77/567397177.db2.gz YYIICGDFOYQCRP-UHFFFAOYSA-N 0 0 384.230 3.126 10 5 GGBERN Cc1c(NC(=O)NCCC2(CO)CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000593206102 567397264 /nfs/dbraw/zinc/39/72/64/567397264.db2.gz ILHNOFMGEKTUGI-UHFFFAOYSA-N 0 0 386.246 3.340 10 5 GGBERN Cc1c(Br)scc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000477480200 567398167 /nfs/dbraw/zinc/39/81/67/567398167.db2.gz OTOXWUBRNHIOHC-UHFFFAOYSA-N 0 0 382.239 3.321 10 5 GGBERN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000456643806 567398219 /nfs/dbraw/zinc/39/82/19/567398219.db2.gz IDZCCRPLSRNSIT-SNVBAGLBSA-N 0 0 379.766 3.204 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000477610174 567404739 /nfs/dbraw/zinc/40/47/39/567404739.db2.gz POEWUGZQPPQDKL-UHFFFAOYSA-N 0 0 382.825 3.354 10 5 GGBERN O=[N+]([O-])c1ccc(OCCS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000549748647 567408774 /nfs/dbraw/zinc/40/87/74/567408774.db2.gz YHOYKEMBJBBIOT-UHFFFAOYSA-N 0 0 386.223 3.210 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000456726384 567411139 /nfs/dbraw/zinc/41/11/39/567411139.db2.gz ZPIYGQHGNHIODE-ISVAXAHUSA-N 0 0 398.790 3.112 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nnc(N3CCCC3)s2)c1 ZINC000593424047 567411488 /nfs/dbraw/zinc/41/14/88/567411488.db2.gz QFIWNVNSKAIJGP-UHFFFAOYSA-N 0 0 380.451 3.125 10 5 GGBERN O=[N+]([O-])c1ccc(OCc2ccc(S(=O)(=O)NC3CC3)cc2)c(Cl)c1 ZINC000593420047 567411842 /nfs/dbraw/zinc/41/18/42/567411842.db2.gz AGTNJRZXUVJAHD-UHFFFAOYSA-N 0 0 382.825 3.268 10 5 GGBERN COc1cc(CCNc2ncc(C(F)(F)F)s2)c([N+](=O)[O-])cc1OC ZINC000477731607 567413060 /nfs/dbraw/zinc/41/30/60/567413060.db2.gz LUUVNMFIJGJJNN-UHFFFAOYSA-N 0 0 377.344 3.164 10 5 GGBERN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000456748397 567415758 /nfs/dbraw/zinc/41/57/58/567415758.db2.gz TVQHOROKZUIOCX-SNVBAGLBSA-N 0 0 379.766 3.204 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC000477791915 567418396 /nfs/dbraw/zinc/41/83/96/567418396.db2.gz SEJLDQKBJUXKIB-CQSZACIVSA-N 0 0 394.225 3.037 10 5 GGBERN O=[N+]([O-])c1cnc(NC[C@@]2(CO)CCc3ccccc32)c(Br)c1 ZINC000593484526 567418338 /nfs/dbraw/zinc/41/83/38/567418338.db2.gz OYDDGKLNVSFYMJ-MRXNPFEDSA-N 0 0 378.226 3.041 10 5 GGBERN C[C@]1(c2cccc(F)c2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000593481298 567418494 /nfs/dbraw/zinc/41/84/94/567418494.db2.gz JIJBIIGWZXEBCS-INIZCTEOSA-N 0 0 384.454 3.367 10 5 GGBERN Nc1ccc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(Cl)c1 ZINC000502095080 567419017 /nfs/dbraw/zinc/41/90/17/567419017.db2.gz FGMGYDFAGQBZFO-UHFFFAOYSA-N 0 0 381.797 3.290 10 5 GGBERN Cc1cc(N2CCC(Cn3cnnc3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000593501421 567419219 /nfs/dbraw/zinc/41/92/19/567419219.db2.gz ZFJGGFRHJZRLAA-UHFFFAOYSA-N 0 0 380.246 3.174 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1N1CC[C@@]2(CC2(F)F)C1 ZINC000593523707 567421005 /nfs/dbraw/zinc/42/10/05/567421005.db2.gz XVDQODZIVOKQLK-LLVKDONJSA-N 0 0 380.132 3.435 10 5 GGBERN Cc1c(Br)c(N[C@@H]2CCCc3c2ccc(=O)n3C)ncc1[N+](=O)[O-] ZINC000593519591 567421262 /nfs/dbraw/zinc/42/12/62/567421262.db2.gz HVUSYJWSYOBUJJ-LLVKDONJSA-N 0 0 393.241 3.249 10 5 GGBERN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000456930141 567427909 /nfs/dbraw/zinc/42/79/09/567427909.db2.gz HJESXVKXZQQEGA-UHFFFAOYSA-N 0 0 379.766 3.347 10 5 GGBERN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000456932659 567428129 /nfs/dbraw/zinc/42/81/29/567428129.db2.gz ITYVABBRYGYLCV-UHFFFAOYSA-N 0 0 379.766 3.347 10 5 GGBERN Cc1cc(Br)cc(C)c1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000502390223 567430748 /nfs/dbraw/zinc/43/07/48/567430748.db2.gz BWSXRQJMRPCXFH-UHFFFAOYSA-N 0 0 376.214 3.051 10 5 GGBERN CCN([C@H]1CCCOC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000593636524 567431528 /nfs/dbraw/zinc/43/15/28/567431528.db2.gz MUBDOPVFXZYEMZ-JTQLQIEISA-N 0 0 383.253 3.091 10 5 GGBERN COC[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000457018256 567432303 /nfs/dbraw/zinc/43/23/03/567432303.db2.gz ALGHRXRDLYBXKH-GFCCVEGCSA-N 0 0 385.258 3.175 10 5 GGBERN COc1ccc(Br)c(CN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000569858007 567437655 /nfs/dbraw/zinc/43/76/55/567437655.db2.gz NCXGIEBEFBZLBZ-UHFFFAOYSA-N 0 0 378.226 3.319 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC(C3(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000593768097 567438695 /nfs/dbraw/zinc/43/86/95/567438695.db2.gz AEPFXYUFOMZSIW-UHFFFAOYSA-N 0 0 383.242 3.043 10 5 GGBERN CCn1c(CNc2ccc([N+](=O)[O-])c(C)n2)nc2cc(Br)ccc21 ZINC000478148317 567439213 /nfs/dbraw/zinc/43/92/13/567439213.db2.gz YFVJHGXHAYWNCZ-UHFFFAOYSA-N 0 0 390.241 3.464 10 5 GGBERN CCn1c(CNc2c([N+](=O)[O-])c(C)nn2C)nc2cc(Br)ccc21 ZINC000478173203 567441155 /nfs/dbraw/zinc/44/11/55/567441155.db2.gz QYECPQIDTAIUEK-UHFFFAOYSA-N 0 0 393.245 3.381 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)n1 ZINC000502638054 567445279 /nfs/dbraw/zinc/44/52/79/567445279.db2.gz VQFZOYSDDDZRQJ-UHFFFAOYSA-N 0 0 378.694 3.175 10 5 GGBERN Cc1ccc(CN(CCO)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000478405324 567453169 /nfs/dbraw/zinc/45/31/69/567453169.db2.gz IVGBDXWIJKSCRN-UHFFFAOYSA-N 0 0 384.841 3.263 10 5 GGBERN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1csc(C)n1 ZINC000594059013 567455467 /nfs/dbraw/zinc/45/54/67/567455467.db2.gz NWDHQWLOSGVSGS-UHFFFAOYSA-N 0 0 381.435 3.267 10 5 GGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Br ZINC000594071997 567456875 /nfs/dbraw/zinc/45/68/75/567456875.db2.gz MSKFMYBNKHUKGZ-CABCVRRESA-N 0 0 383.242 3.435 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594074460 567456951 /nfs/dbraw/zinc/45/69/51/567456951.db2.gz WBWPADVOLBKLCO-NVXWUHKLSA-N 0 0 397.269 3.364 10 5 GGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000594069825 567457117 /nfs/dbraw/zinc/45/71/17/567457117.db2.gz RXRZABUZWGYWGV-ZYHUDNBSSA-N 0 0 389.271 3.496 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594074459 567457455 /nfs/dbraw/zinc/45/74/55/567457455.db2.gz WBWPADVOLBKLCO-DOTOQJQBSA-N 0 0 397.269 3.364 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1cc(F)c(Cl)cc1Br ZINC000619504612 567460119 /nfs/dbraw/zinc/46/01/19/567460119.db2.gz ANRRQXQIKPVLBZ-UHFFFAOYSA-N 0 0 390.552 3.436 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1cc(Cl)ccc1F ZINC000619499632 567460413 /nfs/dbraw/zinc/46/04/13/567460413.db2.gz DGJMSTDSFKNPFQ-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000594138691 567461377 /nfs/dbraw/zinc/46/13/77/567461377.db2.gz HPTNHDSRVXTFDJ-ZKCHVHJHSA-N 0 0 377.260 3.495 10 5 GGBERN O=C(N[C@@H]1COc2ccc(F)cc2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000570151331 567461622 /nfs/dbraw/zinc/46/16/22/567461622.db2.gz CITOYYRLCMOLCZ-LBPRGKRZSA-N 0 0 395.184 3.230 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594166782 567462890 /nfs/dbraw/zinc/46/28/90/567462890.db2.gz YITVXZNCYZWSGS-YPMHNXCESA-N 0 0 380.750 3.407 10 5 GGBERN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCCO1 ZINC000594179306 567463089 /nfs/dbraw/zinc/46/30/89/567463089.db2.gz XJDNZRSRIZMFCT-GJZGRUSLSA-N 0 0 385.258 3.364 10 5 GGBERN CC[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594180366 567463179 /nfs/dbraw/zinc/46/31/79/567463179.db2.gz ZLXDBLSLGYYLNV-SCZZXKLOSA-N 0 0 377.260 3.496 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@H](CCO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541099 567463239 /nfs/dbraw/zinc/46/32/39/567463239.db2.gz LLXXTHGHXTZDLP-NSHDSACASA-N 0 0 386.246 3.292 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594165274 567463340 /nfs/dbraw/zinc/46/33/40/567463340.db2.gz OLEYLSYRMQPXCP-DGCLKSJQSA-N 0 0 378.372 3.303 10 5 GGBERN Cc1nn2cccnc2c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000619534398 567463802 /nfs/dbraw/zinc/46/38/02/567463802.db2.gz IRELPHRDHMJEMS-UHFFFAOYSA-N 0 0 390.197 3.269 10 5 GGBERN CNc1nccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000594354104 567469799 /nfs/dbraw/zinc/46/97/99/567469799.db2.gz SSVXFJKMAVNYEF-WCQYABFASA-N 0 0 381.219 3.046 10 5 GGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc2[nH]cnc21 ZINC000503157888 567470920 /nfs/dbraw/zinc/47/09/20/567470920.db2.gz JOAAEFNDDWAINM-UHFFFAOYSA-N 0 0 389.209 3.206 10 5 GGBERN Cc1ccsc1CNC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000550987166 567471301 /nfs/dbraw/zinc/47/13/01/567471301.db2.gz JOQARIOIVPQXDP-UHFFFAOYSA-N 0 0 384.255 3.456 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000619753565 567479028 /nfs/dbraw/zinc/47/90/28/567479028.db2.gz DWPKSYDIJVQQCI-VIFPVBQESA-N 0 0 384.401 3.400 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000619753595 567480020 /nfs/dbraw/zinc/48/00/20/567480020.db2.gz KNBLIXIBRCHYEW-ZDUSSCGKSA-N 0 0 378.372 3.338 10 5 GGBERN C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594488939 567481393 /nfs/dbraw/zinc/48/13/93/567481393.db2.gz XCJCITLGOIDVDH-GFCCVEGCSA-N 0 0 376.425 3.271 10 5 GGBERN Cc1cc(Br)c(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)s1 ZINC000457713186 567485262 /nfs/dbraw/zinc/48/52/62/567485262.db2.gz ROHDXOVKJZNZDX-UHFFFAOYSA-N 0 0 382.239 3.321 10 5 GGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000478879741 567488233 /nfs/dbraw/zinc/48/82/33/567488233.db2.gz CREAEQJOHMRPAW-YPMHNXCESA-N 0 0 380.388 3.130 10 5 GGBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000478894244 567488283 /nfs/dbraw/zinc/48/82/83/567488283.db2.gz FSFCBHFVRFBKRB-FZMZJTMJSA-N 0 0 380.388 3.130 10 5 GGBERN COc1cc(S(=O)(=O)N2CCc3sc(Cl)cc3C2)ccc1[N+](=O)[O-] ZINC000570511769 567492591 /nfs/dbraw/zinc/49/25/91/567492591.db2.gz BJMHARLHWOKVMX-UHFFFAOYSA-N 0 0 388.854 3.065 10 5 GGBERN Cc1c(NC(=O)[C@H](C)Cc2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000457793105 567493249 /nfs/dbraw/zinc/49/32/49/567493249.db2.gz VSPYQKSXPMMABE-SECBINFHSA-N 0 0 381.230 3.217 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437369997 567495511 /nfs/dbraw/zinc/49/55/11/567495511.db2.gz FOPVNHDLQPXRDZ-GXTWGEPZSA-N 0 0 383.235 3.469 10 5 GGBERN Cc1cc2ncc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)c(C)n2n1 ZINC000551329306 567497341 /nfs/dbraw/zinc/49/73/41/567497341.db2.gz OHOULIHLTIXNQT-UHFFFAOYSA-N 0 0 390.197 3.269 10 5 GGBERN COC(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000551331750 567498081 /nfs/dbraw/zinc/49/80/81/567498081.db2.gz HARSNAJRNIRYBU-UHFFFAOYSA-N 0 0 385.195 3.458 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000503794222 567506270 /nfs/dbraw/zinc/50/62/70/567506270.db2.gz AROSGJMPKSUJGG-UHFFFAOYSA-N 0 0 394.758 3.187 10 5 GGBERN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759675 567508033 /nfs/dbraw/zinc/50/80/33/567508033.db2.gz HZMCXZGWMMTYGF-RYUDHWBXSA-N 0 0 383.857 3.456 10 5 GGBERN Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764868 567509389 /nfs/dbraw/zinc/50/93/89/567509389.db2.gz CVIYFTVWZFQFIM-LLVKDONJSA-N 0 0 384.483 3.260 10 5 GGBERN C[C@H](CC(F)(F)F)CS(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594773311 567510939 /nfs/dbraw/zinc/51/09/39/567510939.db2.gz PSNZWUGISYMFDM-SECBINFHSA-N 0 0 388.795 3.299 10 5 GGBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000594775934 567511728 /nfs/dbraw/zinc/51/17/28/567511728.db2.gz MEWVLFQPLLWFOT-ZDUSSCGKSA-N 0 0 399.881 3.199 10 5 GGBERN COc1ccccc1C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000479220427 567515796 /nfs/dbraw/zinc/51/57/96/567515796.db2.gz HMOSGHJCHYCXMQ-ZDUSSCGKSA-N 0 0 384.479 3.211 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cscn1 ZINC000594818738 567516676 /nfs/dbraw/zinc/51/66/76/567516676.db2.gz JRWHMXCXMFSBBY-SSDOTTSWSA-N 0 0 381.357 3.110 10 5 GGBERN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1O ZINC000458050780 567517304 /nfs/dbraw/zinc/51/73/04/567517304.db2.gz WNMMHPHQNNKDDF-OCCSQVGLSA-N 0 0 382.825 3.313 10 5 GGBERN C[C@H]1COC2(CCC2)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000594828663 567517531 /nfs/dbraw/zinc/51/75/31/567517531.db2.gz UNWMTVVTLWGBFX-VIFPVBQESA-N 0 0 395.264 3.234 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H](CCF)C1 ZINC000594858743 567521042 /nfs/dbraw/zinc/52/10/42/567521042.db2.gz WFRSUQPEHBSCBA-SNVBAGLBSA-N 0 0 384.351 3.374 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@H](CCF)C2)c1 ZINC000594856249 567521350 /nfs/dbraw/zinc/52/13/50/567521350.db2.gz KQYFPNNKFCXDNI-SNVBAGLBSA-N 0 0 395.250 3.118 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCC3(CC3(F)F)CC2)c(Cl)c1 ZINC000594870652 567522133 /nfs/dbraw/zinc/52/21/33/567522133.db2.gz NCBJHLXJKXEDJB-UHFFFAOYSA-N 0 0 380.800 3.495 10 5 GGBERN CC[C@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000594860332 567522639 /nfs/dbraw/zinc/52/26/39/567522639.db2.gz AYXCCQVRNJTDCG-ZDUSSCGKSA-N 0 0 377.260 3.214 10 5 GGBERN COc1cccc([C@@]2(C)CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)c1 ZINC000594868023 567522864 /nfs/dbraw/zinc/52/28/64/567522864.db2.gz GMCFLSCTQPPDDH-INIZCTEOSA-N 0 0 382.463 3.017 10 5 GGBERN O=C(CCNC(=O)c1cccs1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551670096 567528665 /nfs/dbraw/zinc/52/86/65/567528665.db2.gz MCNUROUBPBMRKN-UHFFFAOYSA-N 0 0 398.238 3.177 10 5 GGBERN CS(=O)(=O)c1ccc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000504380270 567533068 /nfs/dbraw/zinc/53/30/68/567533068.db2.gz BXYBNVXFGMDRPM-UHFFFAOYSA-N 0 0 381.431 3.157 10 5 GGBERN C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O ZINC000504498223 567537292 /nfs/dbraw/zinc/53/72/92/567537292.db2.gz ZLPBYIDCRYKYGP-OAHLLOKOSA-N 0 0 383.788 3.416 10 5 GGBERN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000551882216 567540742 /nfs/dbraw/zinc/54/07/42/567540742.db2.gz WOCIYEXYFNPLIO-CQSZACIVSA-N 0 0 377.198 3.028 10 5 GGBERN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1C[C@@H]2C[C@H]1CS2 ZINC000458315393 567540733 /nfs/dbraw/zinc/54/07/33/567540733.db2.gz GAEPUANNAZAPPE-UWVGGRQHSA-N 0 0 399.259 3.417 10 5 GGBERN CCn1cc(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000551966860 567546895 /nfs/dbraw/zinc/54/68/95/567546895.db2.gz JXWFZPSCDIWDNS-UHFFFAOYSA-N 0 0 382.218 3.238 10 5 GGBERN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000571232273 567546901 /nfs/dbraw/zinc/54/69/01/567546901.db2.gz VUKOZSRSFDDLAV-UHFFFAOYSA-N 0 0 393.119 3.029 10 5 GGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1sc2c(c1Br)CNC2 ZINC000595247800 567549666 /nfs/dbraw/zinc/54/96/66/567549666.db2.gz ACUFMMWLHUCBJD-UHFFFAOYSA-N 0 0 396.266 3.294 10 5 GGBERN Cc1c(CNC(=O)c2sc3c(c2Br)CNC3)cccc1[N+](=O)[O-] ZINC000595254668 567549873 /nfs/dbraw/zinc/54/98/73/567549873.db2.gz TYJFJRMZFMZCLB-UHFFFAOYSA-N 0 0 396.266 3.260 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000438932812 567554623 /nfs/dbraw/zinc/55/46/23/567554623.db2.gz DBIQWTQWFKDHDF-UHFFFAOYSA-N 0 0 380.809 3.139 10 5 GGBERN Cc1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000571333476 567555031 /nfs/dbraw/zinc/55/50/31/567555031.db2.gz NCKKJGHVHYMKDC-UHFFFAOYSA-N 0 0 378.182 3.243 10 5 GGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cnc2c(Br)cccn12 ZINC000552074156 567555779 /nfs/dbraw/zinc/55/57/79/567555779.db2.gz CRELKUILUXZTAQ-UHFFFAOYSA-N 0 0 375.182 3.186 10 5 GGBERN Cc1noc(CNC2(c3ccc(Br)cc3)CCOCC2)c1[N+](=O)[O-] ZINC000595359144 567557273 /nfs/dbraw/zinc/55/72/73/567557273.db2.gz GYIXNGJVYKJUBH-UHFFFAOYSA-N 0 0 396.241 3.449 10 5 GGBERN Cc1cc(S(=O)(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)sc1C ZINC000571477235 567565433 /nfs/dbraw/zinc/56/54/33/567565433.db2.gz CZPIPIRZBHNKPN-UHFFFAOYSA-N 0 0 379.463 3.275 10 5 GGBERN C[C@@](CO)(NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000595492026 567567653 /nfs/dbraw/zinc/56/76/53/567567653.db2.gz KRBIDBRXKAEJIJ-INIZCTEOSA-N 0 0 383.217 3.494 10 5 GGBERN CO[C@@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000479951163 567572008 /nfs/dbraw/zinc/57/20/08/567572008.db2.gz UNUDDPYEBXSVNA-LKFCYVNXSA-N 0 0 390.870 3.364 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000439237821 567574825 /nfs/dbraw/zinc/57/48/25/567574825.db2.gz OIZRSGNMQSPETM-UHFFFAOYSA-N 0 0 377.260 3.229 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439271271 567578825 /nfs/dbraw/zinc/57/88/25/567578825.db2.gz IMVNVCFLLRVXNW-KBPBESRZSA-N 0 0 397.269 3.175 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439271281 567578958 /nfs/dbraw/zinc/57/89/58/567578958.db2.gz IMVNVCFLLRVXNW-ZIAGYGMSSA-N 0 0 397.269 3.175 10 5 GGBERN C[C@@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595780995 567583080 /nfs/dbraw/zinc/58/30/80/567583080.db2.gz ODIXBDSYJAWYLI-MNOVXSKESA-N 0 0 390.221 3.199 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ncc(Br)cn2)c1 ZINC000552388139 567585688 /nfs/dbraw/zinc/58/56/88/567585688.db2.gz OGSQHDQPBRRBCG-MRVPVSSYSA-N 0 0 397.254 3.360 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCN(CC(F)F)CC1 ZINC000552395443 567587188 /nfs/dbraw/zinc/58/71/88/567587188.db2.gz IFQJMKLLXOGAQK-UHFFFAOYSA-N 0 0 392.200 3.273 10 5 GGBERN O=C(Cn1cnc2c1CCCC2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552395609 567587451 /nfs/dbraw/zinc/58/74/51/567587451.db2.gz MTNNNRNOTDNJDK-UHFFFAOYSA-N 0 0 379.214 3.071 10 5 GGBERN CC1(C)Cc2n[nH]cc2CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000596005121 567597483 /nfs/dbraw/zinc/59/74/83/567597483.db2.gz WXVZALBGFRPQFO-UHFFFAOYSA-N 0 0 393.241 3.305 10 5 GGBERN CC1(C)Cc2n[nH]cc2CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000596005291 567597778 /nfs/dbraw/zinc/59/77/78/567597778.db2.gz YPCCXMXAZCTKIL-UHFFFAOYSA-N 0 0 393.241 3.305 10 5 GGBERN O=C(Nc1ncc(C(F)(F)F)s1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530398177 567597780 /nfs/dbraw/zinc/59/77/80/567597780.db2.gz AJWZYCYDTFXMMG-UHFFFAOYSA-N 0 0 375.284 3.094 10 5 GGBERN Cc1c(Br)c(N2Cc3c[nH]nc3CC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000596000625 567598166 /nfs/dbraw/zinc/59/81/66/567598166.db2.gz FYSBEYLJASFWHO-UHFFFAOYSA-N 0 0 380.246 3.373 10 5 GGBERN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ncc(Br)cn1 ZINC000552731342 567605955 /nfs/dbraw/zinc/60/59/55/567605955.db2.gz YVUYMRVPHWUTBU-MRVPVSSYSA-N 0 0 390.197 3.120 10 5 GGBERN O=[N+]([O-])c1cccc(Br)c1N1CCC(c2nnc3n2CCC3)CC1 ZINC000596082167 567606957 /nfs/dbraw/zinc/60/69/57/567606957.db2.gz NDPWADTYVIOHKW-UHFFFAOYSA-N 0 0 392.257 3.279 10 5 GGBERN Cc1cc(N2CCN(c3ccc(Br)cn3)CC2)c([N+](=O)[O-])s1 ZINC000596077458 567607223 /nfs/dbraw/zinc/60/72/23/567607223.db2.gz QSEBDPZEVAFECJ-UHFFFAOYSA-N 0 0 383.271 3.449 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CNc1nc(C2CC2)ncc1Br ZINC000596082084 567607464 /nfs/dbraw/zinc/60/74/64/567607464.db2.gz GYMYWWAZJPBDOM-UHFFFAOYSA-N 0 0 379.214 3.067 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439923628 567608142 /nfs/dbraw/zinc/60/81/42/567608142.db2.gz RBEAMNAIXAHQQC-RYUDHWBXSA-N 0 0 383.242 3.246 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCc1nc2cc(Cl)ccc2s1 ZINC000506036978 567608431 /nfs/dbraw/zinc/60/84/31/567608431.db2.gz PTACNCACUVFKKB-UHFFFAOYSA-N 0 0 377.813 3.006 10 5 GGBERN COc1cc(N2CCN(C(=O)c3ccsc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596085901 567608308 /nfs/dbraw/zinc/60/83/08/567608308.db2.gz NPKMQVSHCIADCF-UHFFFAOYSA-N 0 0 381.841 3.281 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439930775 567608778 /nfs/dbraw/zinc/60/87/78/567608778.db2.gz FKGCCETZRFNSKZ-NWDGAFQWSA-N 0 0 383.242 3.246 10 5 GGBERN COc1cc(Sc2nnc(N3CCOCC3)s2)c(Cl)cc1[N+](=O)[O-] ZINC000596087258 567608992 /nfs/dbraw/zinc/60/89/92/567608992.db2.gz HAEPYDQSKNEHQI-UHFFFAOYSA-N 0 0 388.858 3.096 10 5 GGBERN O=C([C@@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000596121036 567610195 /nfs/dbraw/zinc/61/01/95/567610195.db2.gz IUXPYFKBYLSIEC-GFCCVEGCSA-N 0 0 382.258 3.196 10 5 GGBERN COc1cc(N2CCN(CC(F)(F)C(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596127870 567611740 /nfs/dbraw/zinc/61/17/40/567611740.db2.gz FCLILURAJHBJEV-UHFFFAOYSA-N 0 0 385.745 3.279 10 5 GGBERN COc1cc(N(C)Cc2ccc(S(C)(=O)=O)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000596136243 567612022 /nfs/dbraw/zinc/61/20/22/567612022.db2.gz QVISMILNNDWMLM-UHFFFAOYSA-N 0 0 384.841 3.297 10 5 GGBERN COC(=O)c1c(Cl)c(N2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596229712 567617002 /nfs/dbraw/zinc/61/70/02/567617002.db2.gz DRTWDJLVGDVAJZ-XCBNKYQSSA-N 0 0 382.722 3.191 10 5 GGBERN COC(=O)c1c(Cl)c(N2CC[C@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000596241313 567618191 /nfs/dbraw/zinc/61/81/91/567618191.db2.gz CRFRVIOEWADCEB-JTQLQIEISA-N 0 0 385.207 3.336 10 5 GGBERN O=C([C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000530856321 567626447 /nfs/dbraw/zinc/62/64/47/567626447.db2.gz BHHVRVOLTQGJPT-LBPRGKRZSA-N 0 0 382.258 3.196 10 5 GGBERN CC1(C)CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000596361051 567626665 /nfs/dbraw/zinc/62/66/65/567626665.db2.gz REUSFCMNNSNFFW-UHFFFAOYSA-N 0 0 380.491 3.400 10 5 GGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000553111396 567628014 /nfs/dbraw/zinc/62/80/14/567628014.db2.gz JAMWRPVEETXBQG-SECBINFHSA-N 0 0 376.829 3.339 10 5 GGBERN O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2cccc(Br)c2C1 ZINC000506474052 567628615 /nfs/dbraw/zinc/62/86/15/567628615.db2.gz KVQFPJHZIQAUBM-UHFFFAOYSA-N 0 0 377.194 3.261 10 5 GGBERN Cc1cc(OCC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)cc1[N+](=O)[O-] ZINC000506569741 567631325 /nfs/dbraw/zinc/63/13/25/567631325.db2.gz DZPBEDUBTBTBGR-UHFFFAOYSA-N 0 0 383.809 3.222 10 5 GGBERN C[C@H](COc1c(F)cccc1F)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596451373 567634862 /nfs/dbraw/zinc/63/48/62/567634862.db2.gz WZKZULWFSWAGKV-MRVPVSSYSA-N 0 0 392.405 3.217 10 5 GGBERN C[C@@]12COC[C@H]1CN(c1c3cc(Br)ccc3ncc1[N+](=O)[O-])C2 ZINC000596482486 567635653 /nfs/dbraw/zinc/63/56/53/567635653.db2.gz KTRKYRDITINACD-QLJPJBMISA-N 0 0 378.226 3.378 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(NC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC000596478891 567635787 /nfs/dbraw/zinc/63/57/87/567635787.db2.gz TZZZEIMGDCZEGF-CQSZACIVSA-N 0 0 377.413 3.083 10 5 GGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000596471632 567636113 /nfs/dbraw/zinc/63/61/13/567636113.db2.gz ZYFJFVIKXTYJOU-CYBMUJFWSA-N 0 0 396.266 3.414 10 5 GGBERN Cc1c(NC(=O)N[C@H](C)c2ccn(C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000459550545 567636401 /nfs/dbraw/zinc/63/64/01/567636401.db2.gz ULJLNHQBKIWGSR-SECBINFHSA-N 0 0 382.218 3.282 10 5 GGBERN CC(C)[C@H](O)[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000596516655 567636938 /nfs/dbraw/zinc/63/69/38/567636938.db2.gz GOPWTWXACMPMIH-GJZGRUSLSA-N 0 0 384.479 3.230 10 5 GGBERN CC(C)[C@@H](O)[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000596516656 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O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598511012 567772267 /nfs/dbraw/zinc/77/22/67/567772267.db2.gz OCMCBMHBEIIVSH-VIFPVBQESA-N 0 0 397.147 3.151 10 5 GGBERN CSc1ccc(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000598508402 567772413 /nfs/dbraw/zinc/77/24/13/567772413.db2.gz PVIFJNLQHTZNJW-GXSJLCMTSA-N 0 0 378.372 3.499 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000443759064 567774720 /nfs/dbraw/zinc/77/47/20/567774720.db2.gz NMYQIGVFFZNESU-WCQYABFASA-N 0 0 380.388 3.383 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2SCCc3ccccc32)c1 ZINC000443761373 567775226 /nfs/dbraw/zinc/77/52/26/567775226.db2.gz YJMZBOINTPUPSE-QGZVFWFLSA-N 0 0 378.475 3.045 10 5 GGBERN COCC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000598551883 567775741 /nfs/dbraw/zinc/77/57/41/567775741.db2.gz WNIUKXKICLCEFB-UHFFFAOYSA-N 0 0 385.258 3.365 10 5 GGBERN CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)[C@H]1n1cccn1 ZINC000555264476 567777051 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378.397 3.096 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000598627152 567779849 /nfs/dbraw/zinc/77/98/49/567779849.db2.gz FJMBHJBIVSIPLD-CQSZACIVSA-N 0 0 378.397 3.096 10 5 GGBERN Cc1c(NC(=O)N2CC[C@H](C)[C@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000598655629 567781406 /nfs/dbraw/zinc/78/14/06/567781406.db2.gz XIBHZFDEZGHPDB-ONGXEEELSA-N 0 0 386.246 3.148 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](C(F)F)C2CCCCC2)cc1 ZINC000598648591 567781442 /nfs/dbraw/zinc/78/14/42/567781442.db2.gz GPNFBBUQDJDIEF-OAHLLOKOSA-N 0 0 376.425 3.172 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](C(F)F)C2CCCCC2)cc1 ZINC000598648589 567781510 /nfs/dbraw/zinc/78/15/10/567781510.db2.gz GPNFBBUQDJDIEF-HNNXBMFYSA-N 0 0 376.425 3.172 10 5 GGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000555413747 567782388 /nfs/dbraw/zinc/78/23/88/567782388.db2.gz FUOKBIJGOYCVMK-NSHDSACASA-N 0 0 395.384 3.250 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCCCN3c3ccccc32)s1 ZINC000555428999 567784088 /nfs/dbraw/zinc/78/40/88/567784088.db2.gz HGYSDLUYDRMMNR-GFCCVEGCSA-N 0 0 379.463 3.224 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000574628532 567789245 /nfs/dbraw/zinc/78/92/45/567789245.db2.gz SIKZQQPBCYZWKQ-GHMZBOCLSA-N 0 0 386.246 3.290 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@H]([C@H](C)O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000574628540 567789536 /nfs/dbraw/zinc/78/95/36/567789536.db2.gz SIKZQQPBCYZWKQ-WDEREUQCSA-N 0 0 386.246 3.290 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1I)N1CC(CC2CC2)C1 ZINC000598782092 567791541 /nfs/dbraw/zinc/79/15/41/567791541.db2.gz VQWOLXPYJWEGQZ-UHFFFAOYSA-N 0 0 386.189 3.072 10 5 GGBERN Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(N(C)C)nn1 ZINC000598856687 567795074 /nfs/dbraw/zinc/79/50/74/567795074.db2.gz OTCYBYADKYILJZ-UHFFFAOYSA-N 0 0 394.229 3.082 10 5 GGBERN CS(=O)(=O)c1csc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000598881222 567796910 /nfs/dbraw/zinc/79/69/10/567796910.db2.gz HFXHSMFPBUJRLK-UHFFFAOYSA-N 0 0 380.447 3.043 10 5 GGBERN C[C@@H]1CSCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444224701 567797874 /nfs/dbraw/zinc/79/78/74/567797874.db2.gz KXFSLNZYICCXPE-LLVKDONJSA-N 0 0 378.479 3.094 10 5 GGBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)c2ccc(Br)cc2O1 ZINC000598891082 567798120 /nfs/dbraw/zinc/79/81/20/567798120.db2.gz ICGFVODJLABOKS-VIFPVBQESA-N 0 0 380.198 3.124 10 5 GGBERN C[C@@H]1OCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1C(F)(F)F ZINC000598891282 567798244 /nfs/dbraw/zinc/79/82/44/567798244.db2.gz ZZDWJOTVZJGONV-CPCISQLKSA-N 0 0 397.147 3.149 10 5 GGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C)[C@H]1C(F)(F)F ZINC000598891260 567798254 /nfs/dbraw/zinc/79/82/54/567798254.db2.gz ZQOCBAIDSTUHLY-CWSCBRNRSA-N 0 0 378.372 3.254 10 5 GGBERN Cc1c(Br)c(N2Cc3ccccc3N(C)C(=O)C2)ncc1[N+](=O)[O-] ZINC000598941036 567799214 /nfs/dbraw/zinc/79/92/14/567799214.db2.gz SPBXPOXNSWSVKM-UHFFFAOYSA-N 0 0 391.225 3.044 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCc4nccc(Br)c4C3)nc2c1 ZINC000598945949 567799914 /nfs/dbraw/zinc/79/99/14/567799914.db2.gz MFDATWTWVNWDEV-UHFFFAOYSA-N 0 0 388.225 3.187 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](Oc3cncc(Br)c3)C2)n1 ZINC000599108445 567805367 /nfs/dbraw/zinc/80/53/67/567805367.db2.gz SFLJVJWJVWOMTP-ZDUSSCGKSA-N 0 0 393.241 3.422 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](Oc3cncc(Br)c3)C2)n1 ZINC000599108440 567805621 /nfs/dbraw/zinc/80/56/21/567805621.db2.gz SFLJVJWJVWOMTP-CYBMUJFWSA-N 0 0 393.241 3.422 10 5 GGBERN COc1ncc(Br)cc1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000599145938 567807809 /nfs/dbraw/zinc/80/78/09/567807809.db2.gz AKVHCUWMCXJUTN-UHFFFAOYSA-N 0 0 379.214 3.341 10 5 GGBERN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCc2ccc(Cl)cc21 ZINC000599173596 567808486 /nfs/dbraw/zinc/80/84/86/567808486.db2.gz DABIVTJAIZYQKD-AWEZNQCLSA-N 0 0 381.841 3.385 10 5 GGBERN NS(=O)(=O)c1cc(N[C@H]2CCCc3ccc(Cl)cc32)cc([N+](=O)[O-])c1 ZINC000599174478 567808725 /nfs/dbraw/zinc/80/87/25/567808725.db2.gz PRBJPDKSNLXYKE-INIZCTEOSA-N 0 0 381.841 3.385 10 5 GGBERN CS(=O)(=O)c1ccc(N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c([N+](=O)[O-])c1 ZINC000599167495 567808744 /nfs/dbraw/zinc/80/87/44/567808744.db2.gz UZOOFFZXSPFMQD-JCURWCKSSA-N 0 0 378.837 3.402 10 5 GGBERN COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000599164950 567808749 /nfs/dbraw/zinc/80/87/49/567808749.db2.gz MOERDGNREOFPBK-ZWNOBZJWSA-N 0 0 387.230 3.128 10 5 GGBERN COC[C@]1(C)CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000599202669 567810351 /nfs/dbraw/zinc/81/03/51/567810351.db2.gz RWAZHNZYEIKTIN-INIZCTEOSA-N 0 0 396.241 3.147 10 5 GGBERN COC[C@@]1(C)CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000599202671 567810364 /nfs/dbraw/zinc/81/03/64/567810364.db2.gz RWAZHNZYEIKTIN-MRXNPFEDSA-N 0 0 396.241 3.147 10 5 GGBERN Cc1cc(Br)ccc1CN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444687302 567810824 /nfs/dbraw/zinc/81/08/24/567810824.db2.gz ALCKOQPGKKAUII-UHFFFAOYSA-N 0 0 392.253 3.397 10 5 GGBERN CCC(F)(F)C(C)(C)CS(=O)(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000599227657 567811319 /nfs/dbraw/zinc/81/13/19/567811319.db2.gz UHMLDZUHAZSPDU-UHFFFAOYSA-N 0 0 380.413 3.094 10 5 GGBERN CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000006084610 570239293 /nfs/dbraw/zinc/23/92/93/570239293.db2.gz XVMRUASQFITUNQ-UHFFFAOYSA-N 0 0 393.490 3.157 10 5 GGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Cn2cncn2)c1 ZINC000048356381 570242640 /nfs/dbraw/zinc/24/26/40/570242640.db2.gz GUERITGJBFFISZ-CQSZACIVSA-N 0 0 397.460 3.032 10 5 GGBERN CC(C)(C)c1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000012914296 570292073 /nfs/dbraw/zinc/29/20/73/570292073.db2.gz ZAKXGVRVNLUAIV-UHFFFAOYSA-N 0 0 381.388 3.486 10 5 GGBERN Cc1ccc(F)cc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000012919132 570293817 /nfs/dbraw/zinc/29/38/17/570293817.db2.gz HSJKWGKCULHWEV-UHFFFAOYSA-N 0 0 375.356 3.254 10 5 GGBERN COc1cc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)c(OC)cc1Cl ZINC000002460246 570326401 /nfs/dbraw/zinc/32/64/01/570326401.db2.gz ZDRNUXDIVPXKHF-UHFFFAOYSA-N 0 0 396.831 3.498 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc(Cl)cc1 ZINC000006225681 570344420 /nfs/dbraw/zinc/34/44/20/570344420.db2.gz NJDUUQRRGXLRNI-UHFFFAOYSA-N 0 0 397.840 3.013 10 5 GGBERN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc[nH]1 ZINC000006235602 570345411 /nfs/dbraw/zinc/34/54/11/570345411.db2.gz ODWMBXIWHDKELY-SECBINFHSA-N 0 0 385.298 3.168 10 5 GGBERN COc1ccc(N2C(=O)C[C@H](Nc3cccc(SC)c3)C2=O)c([N+](=O)[O-])c1 ZINC000006247849 570348295 /nfs/dbraw/zinc/34/82/95/570348295.db2.gz VGXWRPBLTWGUTF-AWEZNQCLSA-N 0 0 387.417 3.069 10 5 GGBERN Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1c(C)nn(Cc2ccccc2)c1C ZINC000004873844 570352688 /nfs/dbraw/zinc/35/26/88/570352688.db2.gz DPBOGUKXCSYYKS-UHFFFAOYSA-N 0 0 396.451 3.380 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nc(-c2ccccc2F)no1 ZINC000004921345 570369876 /nfs/dbraw/zinc/36/98/76/570369876.db2.gz HRWYARFNVFUSCX-UHFFFAOYSA-N 0 0 386.339 3.364 10 5 GGBERN COc1ccc2cc3c(N)nn(C(=O)c4ccc([N+](=O)[O-])c(C)c4)c3nc2c1 ZINC000004939932 570376329 /nfs/dbraw/zinc/37/63/29/570376329.db2.gz ZDCWUOUYICMHNC-UHFFFAOYSA-N 0 0 377.360 3.080 10 5 GGBERN COc1ccc2nc3c(cc2c1)c(N)nn3C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000004961896 570383466 /nfs/dbraw/zinc/38/34/66/570383466.db2.gz DNADUHRCJJYZRK-UHFFFAOYSA-N 0 0 397.778 3.425 10 5 GGBERN Cn1ccnc1Sc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000006416218 570405739 /nfs/dbraw/zinc/40/57/39/570405739.db2.gz CBJYOJDJLAMKBA-UHFFFAOYSA-N 0 0 390.446 3.280 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2 ZINC000005083154 570413640 /nfs/dbraw/zinc/41/36/40/570413640.db2.gz KTRVVAVOOOBTTP-UHFFFAOYSA-N 0 0 394.387 3.306 10 5 GGBERN CN(C)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C(=O)NC1CC1 ZINC000035706193 570423494 /nfs/dbraw/zinc/42/34/94/570423494.db2.gz IEQBAHQIUMVRPA-UHFFFAOYSA-N 0 0 383.408 3.197 10 5 GGBERN CC[C@H](C)N(CC(=O)Nc1ncc(C)s1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035758407 570443244 /nfs/dbraw/zinc/44/32/44/570443244.db2.gz QYSIFNGDINAEAU-NSHDSACASA-N 0 0 376.438 3.239 10 5 GGBERN CC[C@@H](C)N(CC(=O)Nc1ncc(C)s1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035758403 570443415 /nfs/dbraw/zinc/44/34/15/570443415.db2.gz QYSIFNGDINAEAU-LLVKDONJSA-N 0 0 376.438 3.239 10 5 GGBERN CN(C)[C@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000005200250 570500818 /nfs/dbraw/zinc/50/08/18/570500818.db2.gz YMIUTQPPEVLMNB-GOSISDBHSA-N 0 0 386.452 3.211 10 5 GGBERN COc1cc([C@H]2NC(=O)c3ccccc3N2C)c([N+](=O)[O-])cc1OC(F)F ZINC000054371636 570501594 /nfs/dbraw/zinc/50/15/94/570501594.db2.gz RARBQXGZYXWRAG-HNNXBMFYSA-N 0 0 379.319 3.083 10 5 GGBERN COc1cc([C@@H]2NC(=O)c3ccccc3N2C)c([N+](=O)[O-])cc1OC(F)F ZINC000054371637 570501645 /nfs/dbraw/zinc/50/16/45/570501645.db2.gz RARBQXGZYXWRAG-OAHLLOKOSA-N 0 0 379.319 3.083 10 5 GGBERN CSc1ccc(CN(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006652745 570519638 /nfs/dbraw/zinc/51/96/38/570519638.db2.gz ZRGJLBQQTNVFBO-UHFFFAOYSA-N 0 0 387.461 3.095 10 5 GGBERN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2N)c([N+](=O)[O-])c1 ZINC000005265296 570532982 /nfs/dbraw/zinc/53/29/82/570532982.db2.gz GCVRMUJMTJKICR-UHFFFAOYSA-N 0 0 383.433 3.211 10 5 GGBERN CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c1c(=O)n(C)nc2[N+](=O)[O-] ZINC000005415331 570588386 /nfs/dbraw/zinc/58/83/86/570588386.db2.gz PBERWSCWYDTVLM-UHFFFAOYSA-N 0 0 396.407 3.224 10 5 aggregator GGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc2sc(NC(C)=O)nc21 ZINC000005495567 570613447 /nfs/dbraw/zinc/61/34/47/570613447.db2.gz YKXOLWRCSGEUJJ-UHFFFAOYSA-N 0 0 386.389 3.424 10 5 GGBERN COc1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000033004116 570618199 /nfs/dbraw/zinc/61/81/99/570618199.db2.gz KZIRTFSMWFQVRS-UHFFFAOYSA-N 0 0 386.389 3.384 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1-n1nnc2ccccc21 ZINC000006858701 570651118 /nfs/dbraw/zinc/65/11/18/570651118.db2.gz KEOJAEPMZQOKPI-UHFFFAOYSA-N 0 0 395.400 3.130 10 5 aggregator GGBERN COc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000005634304 570677068 /nfs/dbraw/zinc/67/70/68/570677068.db2.gz FHKIZNNFISVKFV-UHFFFAOYSA-N 0 0 388.405 3.219 10 5 GGBERN O=C(COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCCCCC1 ZINC000007016886 570741957 /nfs/dbraw/zinc/74/19/57/570741957.db2.gz BFCXVAMHVBEAPY-UHFFFAOYSA-N 0 0 375.425 3.119 10 5 GGBERN Cc1cc(CNC(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C)c1O ZINC000007061756 570781954 /nfs/dbraw/zinc/78/19/54/570781954.db2.gz MCXVBGGCUXDBBQ-UHFFFAOYSA-N 0 0 392.795 3.044 10 5 GGBERN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000005943001 570806947 /nfs/dbraw/zinc/80/69/47/570806947.db2.gz AOVCCOHEFSEZCQ-GOSISDBHSA-N 0 0 380.404 3.478 10 5 GGBERN COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(C)=O)CC2 ZINC000004659368 570809358 /nfs/dbraw/zinc/80/93/58/570809358.db2.gz MJVQBUPMZKMVAJ-GOSISDBHSA-N 0 0 386.404 3.137 10 5 GGBERN O=c1c2cn[nH]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000004660665 570810678 /nfs/dbraw/zinc/81/06/78/570810678.db2.gz AUPGCCQVUHRAFB-UHFFFAOYSA-N 0 0 379.401 3.309 10 5 GGBERN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000007277109 570822879 /nfs/dbraw/zinc/82/28/79/570822879.db2.gz ANUNUBGXVKTVOV-SECBINFHSA-N 0 0 393.325 3.351 10 5 GGBERN CCc1cccc2c(C(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c[nH]c21 ZINC000004515829 570827126 /nfs/dbraw/zinc/82/71/26/570827126.db2.gz SVHYFODOVGPKOW-UHFFFAOYSA-N 0 0 376.372 3.231 10 5 GGBERN COc1ccc(Nc2ccc(N3C(=O)C[C@H](C)C3=O)cc2[N+](=O)[O-])cc1OC ZINC000004684269 570830218 /nfs/dbraw/zinc/83/02/18/570830218.db2.gz PLLOCUDSWFLFCO-NSHDSACASA-N 0 0 385.376 3.255 10 5 GGBERN COC(=O)c1cn(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c2ccccc12 ZINC000032818855 570831476 /nfs/dbraw/zinc/83/14/76/570831476.db2.gz GMKJWGGSNYSHCX-CYBMUJFWSA-N 0 0 393.399 3.314 10 5 GGBERN CNc1ccc(C(=O)c2ccccc2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000012526759 570831673 /nfs/dbraw/zinc/83/16/73/570831673.db2.gz XWIQSDXFGYAQIB-UHFFFAOYSA-N 0 0 379.372 3.391 10 5 GGBERN Cc1nnc2n1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H](C(=O)c1ccc(C)cc1)S2 ZINC000003270758 570846605 /nfs/dbraw/zinc/84/66/05/570846605.db2.gz BQYJONJSXAWBKD-FUHWJXTLSA-N 0 0 395.444 3.445 10 5 GGBERN CC(C)OC(=O)C[C@H](NC(=O)c1ccc2c[nH]nc2c1)c1ccccc1[N+](=O)[O-] ZINC000032901019 570897744 /nfs/dbraw/zinc/89/77/44/570897744.db2.gz FNFCSWLSBHGKCH-KRWDZBQOSA-N 0 0 396.403 3.284 10 5 GGBERN Cc1ccc(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000004579910 570909054 /nfs/dbraw/zinc/90/90/54/570909054.db2.gz NQQSUBRWAMUOJU-UHFFFAOYSA-N 0 0 376.434 3.267 10 5 GGBERN COCCNC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000105548438 570929178 /nfs/dbraw/zinc/92/91/78/570929178.db2.gz ZMWXPVJARMPDAE-SFHVURJKSA-N 0 0 381.432 3.371 10 5 GGBERN COc1ccc(CCCN(C)C(=O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000012679408 570948467 /nfs/dbraw/zinc/94/84/67/570948467.db2.gz ARCAXCFGNXJQHU-UHFFFAOYSA-N 0 0 388.420 3.082 10 5 GGBERN CN(C)c1ccc(CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000043782716 570975213 /nfs/dbraw/zinc/97/52/13/570975213.db2.gz HABWXGKTGXYFFH-UHFFFAOYSA-N 0 0 377.466 3.109 10 5 GGBERN O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012748722 570994342 /nfs/dbraw/zinc/99/43/42/570994342.db2.gz MXCBRLYBVOQXGK-UHFFFAOYSA-N 0 0 396.399 3.101 10 5 GGBERN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000037521114 571023122 /nfs/dbraw/zinc/02/31/22/571023122.db2.gz UWBLUMNYTNFZSW-ZDUSSCGKSA-N 0 0 387.823 3.434 10 5 GGBERN CC(=O)N[C@@H](CC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000012777401 571031099 /nfs/dbraw/zinc/03/10/99/571031099.db2.gz PDIVQFDDALUFCR-LRDDRELGSA-N 0 0 375.450 3.443 10 5 GGBERN CCCOc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000054647515 1406795278 /nfs/dbraw/zinc/79/52/78/1406795278.db2.gz BYYVUKNFWPGKBE-UHFFFAOYSA-N 0 0 387.436 3.434 10 5 GGBERN Cc1cccc(-c2c3c(c4c(C)nc5ccccc5n24)n(C)c(=O)n(C)c3=O)c1 ZINC000002488917 1398311765 /nfs/dbraw/zinc/31/17/65/1398311765.db2.gz YYQLSACKMJPMTM-UHFFFAOYSA-N 0 0 384.439 3.322 10 5 GGBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1COc2ccccc2O1 ZINC000002621021 1398313453 /nfs/dbraw/zinc/31/34/53/1398313453.db2.gz IVHQSVOQSALMRX-INIZCTEOSA-N 0 0 383.385 3.497 10 5 GGBERN CCCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003431066 1398346218 /nfs/dbraw/zinc/34/62/18/1398346218.db2.gz QGLNXQMSSGSKTO-VAWYXSNFSA-N 0 0 397.431 3.494 10 5 GGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000003447137 1398347989 /nfs/dbraw/zinc/34/79/89/1398347989.db2.gz SOHVAFSXRPNLPI-CVTTXWKISA-N 0 0 380.400 3.345 10 5 GGBERN Cc1cc(NC(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1C ZINC000006201625 1398537541 /nfs/dbraw/zinc/53/75/41/1398537541.db2.gz MLNSCMUHMKWIII-VOTSOKGWSA-N 0 0 399.359 3.315 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)/C=C/c1ccccc1 ZINC000007068448 1398592519 /nfs/dbraw/zinc/59/25/19/1398592519.db2.gz BVZHVDSFIZXUGS-LPQFERQCSA-N 0 0 381.432 3.334 10 5 GGBERN C[C@H]1CCCN(S(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)C1 ZINC000007785393 1398744453 /nfs/dbraw/zinc/74/44/53/1398744453.db2.gz QZWRQUOYQCBNBA-AWEZNQCLSA-N 0 0 390.465 3.023 10 5 GGBERN O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000007968047 1398782766 /nfs/dbraw/zinc/78/27/66/1398782766.db2.gz GCSYHMRZGKGXNF-UHFFFAOYSA-N 0 0 398.425 3.479 10 5 GGBERN CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000008036559 1398795482 /nfs/dbraw/zinc/79/54/82/1398795482.db2.gz CQBUMBKUCGUGBC-UHFFFAOYSA-N 0 0 391.811 3.185 10 5 GGBERN CC(C)[C@@H](C)NC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008121558 1398806315 /nfs/dbraw/zinc/80/63/15/1398806315.db2.gz RMDJYRDIHIWTBF-CQSZACIVSA-N 0 0 385.420 3.387 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CC2CCCC2)[nH]1 ZINC000008752494 1398845692 /nfs/dbraw/zinc/84/56/92/1398845692.db2.gz ZENOXUBARTXMCK-UHFFFAOYSA-N 0 0 375.454 3.485 10 5 GGBERN O=C1c2ccccc2N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1C[C@H]1CCCO1 ZINC000009118088 1398854085 /nfs/dbraw/zinc/85/40/85/1398854085.db2.gz PVZISDJWMUWUAV-CWTRNNRKSA-N 0 0 397.387 3.069 10 5 GGBERN O=[N+]([O-])c1ccccc1NCCNc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000009220922 1398855351 /nfs/dbraw/zinc/85/53/51/1398855351.db2.gz ITWPDFVXSMUUON-UHFFFAOYSA-N 0 0 393.382 3.387 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2cccs2)n1 ZINC000009284662 1398856410 /nfs/dbraw/zinc/85/64/10/1398856410.db2.gz HJGWWQZDYDEOQY-UHFFFAOYSA-N 0 0 391.434 3.181 10 5 GGBERN CCCCc1ccc(-n2nnnc2Sc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000009592428 1398861083 /nfs/dbraw/zinc/86/10/83/1398861083.db2.gz GKFCHMRREJHGNA-UHFFFAOYSA-N 0 0 398.448 3.163 10 5 GGBERN Cc1ccc([C@@](O)(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC000012800236 1399058965 /nfs/dbraw/zinc/05/89/65/1399058965.db2.gz XKDXKCLLDKILCB-HNNXBMFYSA-N 0 0 387.314 3.458 10 5 GGBERN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000012870941 1399063184 /nfs/dbraw/zinc/06/31/84/1399063184.db2.gz CHVLFSARNGEDCP-GMMCIKNFSA-N 0 0 388.445 3.231 10 5 GGBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000065712508 1408716213 /nfs/dbraw/zinc/71/62/13/1408716213.db2.gz FCLCFLUQSQXYPA-UHFFFAOYSA-N 0 0 382.395 3.037 10 5 GGBERN COCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000067054256 1408993993 /nfs/dbraw/zinc/99/39/93/1408993993.db2.gz HTEJWDIURMVHLP-AWEZNQCLSA-N 0 0 388.420 3.428 10 5 GGBERN COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068375229 1409382642 /nfs/dbraw/zinc/38/26/42/1409382642.db2.gz BABMVDRJFQONCI-SNVBAGLBSA-N 0 0 378.768 3.441 10 5 GGBERN COc1cccc(N2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2C)c1 ZINC000089939360 1410059547 /nfs/dbraw/zinc/05/95/47/1410059547.db2.gz IRBHVXHYXLKYIJ-OFAQMXQXSA-N 0 0 381.432 3.354 10 5 GGBERN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000096926741 1410337574 /nfs/dbraw/zinc/33/75/74/1410337574.db2.gz OELKVATVGOQBMC-MUSGIIIZSA-N 0 0 379.416 3.485 10 5 GGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000096926723 1410337864 /nfs/dbraw/zinc/33/78/64/1410337864.db2.gz MGLHFBYIEYMROF-OJNOIJSXSA-N 0 0 379.416 3.485 10 5 GGBERN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000096996562 1410343811 /nfs/dbraw/zinc/34/38/11/1410343811.db2.gz CHVLFSARNGEDCP-VDBIKXPHSA-N 0 0 388.445 3.231 10 5 GGBERN CCOC(=O)c1cc(NC2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000176948968 1428528238 /nfs/dbraw/zinc/52/82/38/1428528238.db2.gz NLMPQTCXXBLCBA-UHFFFAOYSA-N 0 0 375.347 3.210 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000109555220 1411785767 /nfs/dbraw/zinc/78/57/67/1411785767.db2.gz HWXTXRKTOUXCAJ-ZIAGYGMSSA-N 0 0 385.420 3.469 10 5 GGBERN Cc1ccc(C)c(N2CCN(CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000119462123 1413455567 /nfs/dbraw/zinc/45/55/67/1413455567.db2.gz FCSSTZKXOSMOAF-UHFFFAOYSA-N 0 0 382.464 3.281 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000120222789 1413738622 /nfs/dbraw/zinc/73/86/22/1413738622.db2.gz CWYHQSCJEKTMBZ-HUUCEWRRSA-N 0 0 392.209 3.137 10 5 GGBERN C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000120317575 1413783293 /nfs/dbraw/zinc/78/32/93/1413783293.db2.gz DSCIVVJGPZEHQX-OAHLLOKOSA-N 0 0 379.420 3.383 10 5 GGBERN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000129121248 1416150216 /nfs/dbraw/zinc/15/02/16/1416150216.db2.gz GQEGKCJOYFGZIT-RHSMWYFYSA-N 0 0 385.420 3.368 10 5 GGBERN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000151229845 1417898129 /nfs/dbraw/zinc/89/81/29/1417898129.db2.gz DRRDKRFYLXQUII-XHDPSFHLSA-N 0 0 398.872 3.025 10 5 GGBERN O=C(NCc1cnn(Cc2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153723401 1422722337 /nfs/dbraw/zinc/72/23/37/1422722337.db2.gz DXTSCYQQBIWMFI-UHFFFAOYSA-N 0 0 391.431 3.108 10 5 GGBERN COc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000154210716 1422855741 /nfs/dbraw/zinc/85/57/41/1422855741.db2.gz BDARTQSFUUTLDA-UHFFFAOYSA-N 0 0 375.812 3.219 10 5 GGBERN CCOC(=O)C(C)(C)n1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cn1 ZINC000179841696 1429606564 /nfs/dbraw/zinc/60/65/64/1429606564.db2.gz DKEYHVPTLFFMDT-UHFFFAOYSA-N 0 0 388.424 3.267 10 5 GGBERN O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000155298261 1423306223 /nfs/dbraw/zinc/30/62/23/1423306223.db2.gz DHQAWIHKDZLXCQ-MRXNPFEDSA-N 0 0 398.806 3.393 10 5 GGBERN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000155298377 1423306329 /nfs/dbraw/zinc/30/63/29/1423306329.db2.gz DHQAWIHKDZLXCQ-INIZCTEOSA-N 0 0 398.806 3.393 10 5 GGBERN O=C(c1ccccc1)c1ccc(N2CCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000160399195 1424601513 /nfs/dbraw/zinc/60/15/13/1424601513.db2.gz DEJGWLHGKCRGRW-LJQANCHMSA-N 0 0 395.459 3.127 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000170395429 1425263393 /nfs/dbraw/zinc/26/33/93/1425263393.db2.gz DSDBAXKNWRGJAG-UHFFFAOYSA-N 0 0 398.419 3.171 10 5 GGBERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000190109621 1432321402 /nfs/dbraw/zinc/32/14/02/1432321402.db2.gz FLVDBWCSMFIAJP-ZLIFDBKOSA-N 0 0 390.415 3.090 10 5 GGBERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000190122517 1432323832 /nfs/dbraw/zinc/32/38/32/1432323832.db2.gz DZPLZKADEPDUFI-GJZGRUSLSA-N 0 0 378.816 3.115 10 5 GGBERN COc1ccc(CNc2ccc(C(=O)NC3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000195156541 1433300849 /nfs/dbraw/zinc/30/08/49/1433300849.db2.gz AJGPPMIQIIWYAU-UHFFFAOYSA-N 0 0 385.420 3.124 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000225385065 1433366903 /nfs/dbraw/zinc/36/69/03/1433366903.db2.gz DURNGRGZAUNRDK-UWJYYQICSA-N 0 0 394.475 3.079 10 5 GGBERN Cc1c(CN(C)CC(=O)Nc2nnc(CC(C)C)s2)cccc1[N+](=O)[O-] ZINC000225520417 1433367129 /nfs/dbraw/zinc/36/71/29/1433367129.db2.gz UMYXBUAQNCMSBO-UHFFFAOYSA-N 0 0 377.470 3.024 10 5 GGBERN CC(=O)c1cccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])c(-c3nccs3)n2)c1 ZINC000225653946 1433367439 /nfs/dbraw/zinc/36/74/39/1433367439.db2.gz ZWDHOOICVUEVBJ-JTQLQIEISA-N 0 0 385.405 3.317 10 5 GGBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)n1cc([N+](=O)[O-])c(-c2nccs2)n1 ZINC000225653871 1433367589 /nfs/dbraw/zinc/36/75/89/1433367589.db2.gz MQEQRKIUFNKDKU-SECBINFHSA-N 0 0 388.365 3.023 10 5 GGBERN CCOC(=O)c1cc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000242338941 1433446478 /nfs/dbraw/zinc/44/64/78/1433446478.db2.gz ZDSHFQGGQPPOLA-UGSOOPFHSA-N 0 0 392.358 3.362 10 5 GGBERN CCCCCC(=O)NC1CCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000266858475 1434382575 /nfs/dbraw/zinc/38/25/75/1434382575.db2.gz GBGDTZLQWFGRGH-UHFFFAOYSA-N 0 0 375.469 3.458 10 5 GGBERN CCCCCC(=O)NC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270256603 1434717224 /nfs/dbraw/zinc/71/72/24/1434717224.db2.gz CBRBYGFATZELKX-UHFFFAOYSA-N 0 0 390.484 3.008 10 5 GGBERN COC(=O)[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000273008734 1434949529 /nfs/dbraw/zinc/94/95/29/1434949529.db2.gz AUKUAQKSEGVBTQ-MRXNPFEDSA-N 0 0 396.403 3.239 10 5 GGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000279323531 1435486389 /nfs/dbraw/zinc/48/63/89/1435486389.db2.gz CBJFJTZJPWURQG-ROUUACIJSA-N 0 0 389.383 3.251 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001648158869 1126250072 /nfs/dbraw/zinc/25/00/72/1126250072.db2.gz SLSYUZUTJBGUND-WBVHZDCISA-N 0 0 384.354 3.228 10 5 GGBERN C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001660387350 1126264245 /nfs/dbraw/zinc/26/42/45/1126264245.db2.gz DYBSLOGJWXZDTG-QGZVFWFLSA-N 0 0 395.253 3.146 10 5 GGBERN O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001659942745 1126263751 /nfs/dbraw/zinc/26/37/51/1126263751.db2.gz BMJLIIDTGPNJHE-GOEBONIOSA-N 0 0 399.325 3.127 10 5 GGBERN C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000017842589 210211331 /nfs/dbraw/zinc/21/13/31/210211331.db2.gz JQLUAZFNQHIPAR-NSHDSACASA-N 0 0 375.406 3.222 10 5 GGBERN C[C@@H]1CCCN(c2ccc(C(=O)OCc3ccc(C(N)=O)cc3)cc2[N+](=O)[O-])C1 ZINC000016756326 210196718 /nfs/dbraw/zinc/19/67/18/210196718.db2.gz YEMZLRNKBYMWEZ-CQSZACIVSA-N 0 0 397.431 3.287 10 5 GGBERN C[C@H]1CCCN(c2ccc(C(=O)OCc3ccc(C(N)=O)cc3)cc2[N+](=O)[O-])C1 ZINC000016756329 210196757 /nfs/dbraw/zinc/19/67/57/210196757.db2.gz YEMZLRNKBYMWEZ-AWEZNQCLSA-N 0 0 397.431 3.287 10 5 GGBERN Cc1noc(/C=C/c2ccc(S(=O)(=O)NC3CCCC3)s2)c1[N+](=O)[O-] ZINC000015822996 210170890 /nfs/dbraw/zinc/17/08/90/210170890.db2.gz SUKWTCSISRZJRE-SOFGYWHQSA-N 0 0 383.451 3.344 10 5 GGBERN O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccn1 ZINC000014668327 210123323 /nfs/dbraw/zinc/12/33/23/210123323.db2.gz BBZJCESLJYBPJB-UHFFFAOYSA-N 0 0 383.385 3.075 10 5 GGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)c(F)c1 ZINC000014574973 210121642 /nfs/dbraw/zinc/12/16/42/210121642.db2.gz FQBYBNTUJMSTOA-LBPRGKRZSA-N 0 0 391.374 3.201 10 5 GGBERN Cc1cccc(Cl)c1NC(=S)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000013656604 210076354 /nfs/dbraw/zinc/07/63/54/210076354.db2.gz PULBWFQOOBETTG-UHFFFAOYSA-N 0 0 391.884 3.471 10 5 GGBERN Cc1c(Cl)cccc1NC(=S)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000013656606 210075401 /nfs/dbraw/zinc/07/54/01/210075401.db2.gz AEKBECLJCVWPPN-UHFFFAOYSA-N 0 0 391.884 3.471 10 5 GGBERN CCOCCCNc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000013524101 210064784 /nfs/dbraw/zinc/06/47/84/210064784.db2.gz JEAJWODUGIIPII-HUUCEWRRSA-N 0 0 375.425 3.113 10 5 GGBERN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1C(F)(F)F ZINC000013102078 210050613 /nfs/dbraw/zinc/05/06/13/210050613.db2.gz POKAYFJEJYELOU-UHFFFAOYSA-N 0 0 395.750 3.126 10 5 GGBERN COc1cccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000012987383 210042624 /nfs/dbraw/zinc/04/26/24/210042624.db2.gz FMDTYMGOYXEROZ-ZBFHGGJFSA-N 0 0 397.431 3.176 10 5 GGBERN CCNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC ZINC000012970581 210035601 /nfs/dbraw/zinc/03/56/01/210035601.db2.gz PUBLVPCNOOYQHQ-UHFFFAOYSA-N 0 0 386.433 3.171 10 5 GGBERN CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000012925494 210030564 /nfs/dbraw/zinc/03/05/64/210030564.db2.gz XEKOYZBVJCWISI-OAHLLOKOSA-N 0 0 387.461 3.231 10 5 GGBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012885705 210023296 /nfs/dbraw/zinc/02/32/96/210023296.db2.gz OELKVATVGOQBMC-GZKZCVOOSA-N 0 0 379.416 3.485 10 5 GGBERN Cc1ccc(-c2nc(C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000012864130 210020820 /nfs/dbraw/zinc/02/08/20/210020820.db2.gz RBQOJMNEHOYRAY-QGZVFWFLSA-N 0 0 383.429 3.490 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012846608 210017465 /nfs/dbraw/zinc/01/74/65/210017465.db2.gz DCYOIZABNOOFMO-GJZGRUSLSA-N 0 0 396.447 3.352 10 5 GGBERN CNc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000012808736 210012463 /nfs/dbraw/zinc/01/24/63/210012463.db2.gz NFSTXARXFSIJOW-OKILXGFUSA-N 0 0 397.431 3.117 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000012798600 210011878 /nfs/dbraw/zinc/01/18/78/210011878.db2.gz FFMNPQRIUPYHRY-AWEZNQCLSA-N 0 0 395.415 3.077 10 5 GGBERN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000012754523 210001733 /nfs/dbraw/zinc/00/17/33/210001733.db2.gz IGVCAMGWANOCQO-SFHVURJKSA-N 0 0 385.395 3.078 10 5 GGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012767468 210005386 /nfs/dbraw/zinc/00/53/86/210005386.db2.gz URMKCPKJUVLOJB-MDZDMXLPSA-N 0 0 393.443 3.163 10 5 GGBERN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000012754518 210000470 /nfs/dbraw/zinc/00/04/70/210000470.db2.gz IGVCAMGWANOCQO-GOSISDBHSA-N 0 0 385.395 3.078 10 5 GGBERN COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 ZINC000012627226 209988127 /nfs/dbraw/zinc/98/81/27/209988127.db2.gz TUINRDJJHPSNIK-QGZVFWFLSA-N 0 0 394.387 3.235 10 5 GGBERN COCCn1c2ccccc2nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012537687 209969495 /nfs/dbraw/zinc/96/94/95/209969495.db2.gz UKLFJYXFHIRDMX-UHFFFAOYSA-N 0 0 386.433 3.322 10 5 GGBERN CCOc1cc2c(cc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000011453591 209872694 /nfs/dbraw/zinc/87/26/94/209872694.db2.gz SFTJRNPRSAJQKB-LLVKDONJSA-N 0 0 390.367 3.474 10 5 GGBERN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccccc1N1CCCC1=O ZINC000009691876 209843032 /nfs/dbraw/zinc/84/30/32/209843032.db2.gz CJTSISCNBIAGSR-BQYQJAHWSA-N 0 0 395.371 3.102 10 5 GGBERN CC[C@H](Oc1ccccc1)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000008921777 209805367 /nfs/dbraw/zinc/80/53/67/209805367.db2.gz FRSKAHHUPKKZKE-KRWDZBQOSA-N 0 0 388.420 3.128 10 5 GGBERN COc1cc(C(=O)Nc2ccc3oc(C)nc3c2)c([N+](=O)[O-])c(OC)c1OC ZINC000008369426 209778271 /nfs/dbraw/zinc/77/82/71/209778271.db2.gz IFZVIGSBJPDWQJ-UHFFFAOYSA-N 0 0 387.348 3.323 10 5 GGBERN O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=CNc1cc([N+](=O)[O-])ccc1Cl ZINC000006883661 209702575 /nfs/dbraw/zinc/70/25/75/209702575.db2.gz WZVFMLRCQRWOMU-RIYZIHGNSA-N 0 0 388.723 3.413 10 5 GGBERN CCCCCCC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(CCCC)c3=O ZINC000006733127 209674262 /nfs/dbraw/zinc/67/42/62/209674262.db2.gz XGZLAVLBKROCEC-UHFFFAOYSA-N 0 0 397.479 3.342 10 5 GGBERN Cc1nn(CC(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000006069452 209628337 /nfs/dbraw/zinc/62/83/37/209628337.db2.gz ZDQSGQXFISUDTR-AWEZNQCLSA-N 0 0 396.403 3.132 10 5 GGBERN CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000006046363 209626906 /nfs/dbraw/zinc/62/69/06/209626906.db2.gz RXFNTIKYRGGMRM-SFHVURJKSA-N 0 0 380.404 3.424 10 5 GGBERN COc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])coc2c1 ZINC000005185013 209578376 /nfs/dbraw/zinc/57/83/76/209578376.db2.gz XMEVRCKPYFJHCN-UHFFFAOYSA-N 0 0 384.344 3.074 10 5 GGBERN C[C@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005113313 209570262 /nfs/dbraw/zinc/57/02/62/209570262.db2.gz IRIZFLHRYNAHFA-WSYSLRRZSA-N 0 0 382.416 3.289 10 5 GGBERN O=C(CSc1ccsc1[N+](=O)[O-])N1CCN(c2ccccc2F)CC1 ZINC000004909180 209542333 /nfs/dbraw/zinc/54/23/33/209542333.db2.gz XADBFBJFGGPYRI-UHFFFAOYSA-N 0 0 381.454 3.236 10 5 GGBERN O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004348042 209482326 /nfs/dbraw/zinc/48/23/26/209482326.db2.gz DZUNFYIUYVORJZ-UHFFFAOYSA-N 0 0 391.430 3.007 10 5 GGBERN O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1 ZINC000004307338 209477336 /nfs/dbraw/zinc/47/73/36/209477336.db2.gz CHOZBHRLLLLESX-UHFFFAOYSA-N 0 0 376.416 3.348 10 5 GGBERN Cc1cccc(C(=O)OCC(=O)c2csc(N3CCCCC3)n2)c1[N+](=O)[O-] ZINC000003437472 209435591 /nfs/dbraw/zinc/43/55/91/209435591.db2.gz RXXLBMLMXWMURB-UHFFFAOYSA-N 0 0 389.433 3.390 10 5 GGBERN O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1 ZINC000002617339 209371227 /nfs/dbraw/zinc/37/12/27/209371227.db2.gz VBLZBCHVDCZPOD-UHFFFAOYSA-N 0 0 383.187 3.375 10 5 GGBERN O=C([O-])C1CC[NH+](Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn32)CC1 ZINC000002599727 209370565 /nfs/dbraw/zinc/37/05/65/209370565.db2.gz WYLFFSQLJAZFSL-UHFFFAOYSA-N 0 0 380.404 3.206 10 5 GGBERN COc1cc(/C=C2\N=C(c3cc(C)ccc3[N+](=O)[O-])OC2=O)cc(OC)c1OC ZINC000001515654 209332782 /nfs/dbraw/zinc/33/27/82/209332782.db2.gz NVHQNVJZKDOZLM-ZSOIEALJSA-N 0 0 398.371 3.274 10 5 GGBERN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001510547 209330719 /nfs/dbraw/zinc/33/07/19/209330719.db2.gz NZNQFJPVEHKODT-MRXNPFEDSA-N 0 0 380.447 3.040 10 5 GGBERN CCOC(=O)[C@H](C(C)=O)c1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000001036804 209291329 /nfs/dbraw/zinc/29/13/29/209291329.db2.gz HYOKDSCVJXQYSE-QGZVFWFLSA-N 0 0 394.383 3.135 10 5 GGBERN Cc1cc(C)c(-n2nnnc2SCC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000001029984 209290585 /nfs/dbraw/zinc/29/05/85/209290585.db2.gz WIELSLKGBMQEEL-UHFFFAOYSA-N 0 0 383.433 3.471 10 5 GGBERN O=C(/C=C\c1c(Cl)nc2ccccn21)NCCNc1ccccc1[N+](=O)[O-] ZINC000096904798 209241157 /nfs/dbraw/zinc/24/11/57/209241157.db2.gz XPDNUAHDHSXARE-HJWRWDBZSA-N 0 0 385.811 3.137 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2cccc(Br)c2)cc1 ZINC000090550163 209237696 /nfs/dbraw/zinc/23/76/96/209237696.db2.gz YMAXBKPNVZJBEF-IURRXHLWSA-N 0 0 383.223 3.103 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2ccccc2Br)cc1 ZINC000090550385 209237159 /nfs/dbraw/zinc/23/71/59/209237159.db2.gz AMDAZUDOPIKLPX-IURRXHLWSA-N 0 0 383.223 3.103 10 5 GGBERN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2c2ccccc2)c(S(=O)(=O)N2CCCC2)c1 ZINC000089828065 209234958 /nfs/dbraw/zinc/23/49/58/209234958.db2.gz JEFHLQNAYHIBHP-AEFFLSMTSA-N 0 0 387.461 3.347 10 5 GGBERN O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 ZINC000255988202 209221229 /nfs/dbraw/zinc/22/12/29/209221229.db2.gz MPFZEILBOPCROF-RHSMWYFYSA-N 0 0 388.351 3.249 10 5 GGBERN CO[C@H]1CCCN(c2nc(N3CCC[C@H](OC)CC3)c([N+](=O)[O-])s2)CC1 ZINC000359901116 209202721 /nfs/dbraw/zinc/20/27/21/209202721.db2.gz QTPADYMEVQYVAI-KBPBESRZSA-N 0 0 384.502 3.062 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000016087447 209171886 /nfs/dbraw/zinc/17/18/86/209171886.db2.gz BYCVKQFRITUGAO-SNVBAGLBSA-N 0 0 385.239 3.397 10 5 GGBERN COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@@H]1C[N@+]4([O-])C[C@@H](C)[C@@H](C[C@@H]4[C@@]12C)C3=O ZINC000252584865 211989865 /nfs/dbraw/zinc/98/98/65/211989865.db2.gz DLTJWHRTAHFESH-GLWRACKOSA-N 0 0 385.504 3.224 10 5 biogenic GGBERN COC(=O)C1=C2CCC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@@H]4[C@@]2(C)[C@@H](C[N@+]4([O-])C[C@H]1C)CC3 ZINC000252489959 211985139 /nfs/dbraw/zinc/98/51/39/211985139.db2.gz KGESJSJJGMUDSQ-AEUXPPABSA-N 0 0 383.488 3.288 10 5 biogenic GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(-n2ccnn2)cc1 ZINC000241316824 211973992 /nfs/dbraw/zinc/97/39/92/211973992.db2.gz LVERXBWNLAZLEJ-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN CCOC(=O)c1c(C)n(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc([N+](=O)[O-])o1 ZINC000008398539 211594644 /nfs/dbraw/zinc/59/46/44/211594644.db2.gz UCFXFNRBJBEOKI-UHFFFAOYSA-N 0 0 386.320 3.434 10 5 GGBERN COCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)CC(C)(C)C ZINC000096293809 211330943 /nfs/dbraw/zinc/33/09/43/211330943.db2.gz JIIIMCXKMGNLSQ-UHFFFAOYSA-N 0 0 390.440 3.099 10 5 GGBERN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000096276837 211329784 /nfs/dbraw/zinc/32/97/84/211329784.db2.gz MFOPYTWPJCKYQW-KRWDZBQOSA-N 0 0 379.416 3.457 10 5 GGBERN C[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096278033 211329573 /nfs/dbraw/zinc/32/95/73/211329573.db2.gz ZQTOLQVDYLZOJA-CYBMUJFWSA-N 0 0 382.376 3.039 10 5 GGBERN CCN1CCN(C(=O)c2c(C)n(-c3ccc([N+](=O)[O-])cc3)nc2CC(C)C)CC1 ZINC000096207135 211319581 /nfs/dbraw/zinc/31/95/81/211319581.db2.gz GIUJSXWDDVRBKQ-UHFFFAOYSA-N 0 0 399.495 3.065 10 5 GGBERN COc1ccc(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(OC)c1OC ZINC000095963864 211289721 /nfs/dbraw/zinc/28/97/21/211289721.db2.gz SZVFLDMHALFWPB-UHFFFAOYSA-N 0 0 386.364 3.283 10 5 GGBERN CN(c1cccnn1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000095462318 211243615 /nfs/dbraw/zinc/24/36/15/211243615.db2.gz DSAWFZVZSCHUAG-UHFFFAOYSA-N 0 0 390.831 3.171 10 5 GGBERN CC(C)(C)OC(=O)N1CCC[C@@H]1C[S@@](=O)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095086101 211218862 /nfs/dbraw/zinc/21/88/62/211218862.db2.gz YKSZNKPZPSZJJA-MUDIAHQHSA-N 0 0 395.437 3.243 10 5 GGBERN CC(C)(C)OC(=O)N1CCC[C@@H]([S@](=O)c2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095084965 211218889 /nfs/dbraw/zinc/21/88/89/211218889.db2.gz NOGHHYKAJRJVMB-KHXSAUHESA-N 0 0 395.437 3.243 10 5 GGBERN CC(C)(C)OC(=O)N1CCC(COc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000095084049 211218602 /nfs/dbraw/zinc/21/86/02/211218602.db2.gz JMLUMUOCTBVTLO-UHFFFAOYSA-N 0 0 376.413 3.497 10 5 GGBERN CC(C)(C)OC(=O)N1CCC[C@H]1C[S@](=O)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095086104 211218092 /nfs/dbraw/zinc/21/80/92/211218092.db2.gz YKSZNKPZPSZJJA-BIXPNRAVSA-N 0 0 395.437 3.243 10 5 GGBERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095075310 211216011 /nfs/dbraw/zinc/21/60/11/211216011.db2.gz SETHMDDLYHHAKQ-AWEZNQCLSA-N 0 0 387.440 3.374 10 5 GGBERN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC(c3nc4ccccc4s3)C2)c1 ZINC000089875042 211184943 /nfs/dbraw/zinc/18/49/43/211184943.db2.gz XYFLDHDBZGWWFF-HNNXBMFYSA-N 0 0 385.445 3.044 10 5 GGBERN CCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(I)c1 ZINC000084744409 211173626 /nfs/dbraw/zinc/17/36/26/211173626.db2.gz VSLABSPYEUKNPL-OLZOCXBDSA-N 0 0 388.205 3.090 10 5 GGBERN CCOC(=O)[C@@H](C)N(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000082170006 211163819 /nfs/dbraw/zinc/16/38/19/211163819.db2.gz WHFQMWWYMCNLAW-CQSZACIVSA-N 0 0 392.433 3.050 10 5 GGBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC1(C)CCC1 ZINC000079022529 211153379 /nfs/dbraw/zinc/15/33/79/211153379.db2.gz NFMCJJJMRJAPIZ-HNNXBMFYSA-N 0 0 381.860 3.309 10 5 GGBERN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@H]1CC1[N+](=O)[O-] ZINC000065550095 210998475 /nfs/dbraw/zinc/99/84/75/210998475.db2.gz AUOHDGYPOJVBSW-QWHCGFSZSA-N 0 0 378.182 3.240 10 5 GGBERN CC(C)Cc1nc2c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c(=O)n2n1 ZINC000062639802 210934984 /nfs/dbraw/zinc/93/49/84/210934984.db2.gz XZTGYDNSDLCHNN-UHFFFAOYSA-N 0 0 377.404 3.199 10 5 GGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000058108643 210905432 /nfs/dbraw/zinc/90/54/32/210905432.db2.gz UQRHVROBSBQFSL-RHSMWYFYSA-N 0 0 391.493 3.079 10 5 GGBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000050936164 210867390 /nfs/dbraw/zinc/86/73/90/210867390.db2.gz UFRNCAZASKFTNP-INIZCTEOSA-N 0 0 376.415 3.329 10 5 GGBERN COc1cc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc([N+](=O)[O-])c1 ZINC000048290849 210849702 /nfs/dbraw/zinc/84/97/02/210849702.db2.gz QHOLMVAAOMEFCV-UHFFFAOYSA-N 0 0 384.436 3.309 10 5 GGBERN CC[C@@H](C)N1Cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2OCC1=O ZINC000035885636 210700380 /nfs/dbraw/zinc/70/03/80/210700380.db2.gz TUUDTTRNSZTWJC-CYBMUJFWSA-N 0 0 383.404 3.367 10 5 GGBERN COc1c(Br)c(Br)nc(Br)c1[N+](=O)[O-] ZINC000035569865 210692834 /nfs/dbraw/zinc/69/28/34/210692834.db2.gz ZZTYRHRFWFOHQH-UHFFFAOYSA-N 0 0 390.813 3.286 10 5 GGBERN CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000032853532 210594327 /nfs/dbraw/zinc/59/43/27/210594327.db2.gz KPNBGBVCNFRAPM-MRXNPFEDSA-N 0 0 375.450 3.381 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCNC(=O)c1cccs1 ZINC000025832008 210488017 /nfs/dbraw/zinc/48/80/17/210488017.db2.gz AVUVAKBWNPKWDV-CYBMUJFWSA-N 0 0 375.450 3.386 10 5 GGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022009526 210403927 /nfs/dbraw/zinc/40/39/27/210403927.db2.gz CTBXIEVDKDEAQI-OAHLLOKOSA-N 0 0 396.447 3.152 10 5 GGBERN CC(=O)n1cc(C2=NN(C(C)=O)[C@H](c3ccccc3[N+](=O)[O-])O2)c2ccccc21 ZINC000021092019 210376194 /nfs/dbraw/zinc/37/61/94/210376194.db2.gz WRYJJLQECKMKBN-FQEVSTJZSA-N 0 0 392.371 3.449 10 5 GGBERN COc1ccc2cc(NC=C3N=C(c4ccc([N+](=O)[O-])cc4)OC3=O)cnc2c1 ZINC000020616216 210353452 /nfs/dbraw/zinc/35/34/52/210353452.db2.gz NZBMKYUIUNDMFQ-WQRHYEAKSA-N 0 0 390.355 3.409 10 5 GGBERN Cc1ccc2[nH]c3c(cnn(CC(=O)Nc4cccc([N+](=O)[O-])c4C)c3=O)c2c1 ZINC000020574543 210348497 /nfs/dbraw/zinc/34/84/97/210348497.db2.gz OUQYXHDBBGMLIY-UHFFFAOYSA-N 0 0 391.387 3.042 10 5 GGBERN CN1CCN(C(=O)c2ccc(SCc3ccccc3F)c([N+](=O)[O-])c2)CC1 ZINC000020663497 210355331 /nfs/dbraw/zinc/35/53/31/210355331.db2.gz UQBDFCSAAOZAAF-UHFFFAOYSA-N 0 0 389.452 3.414 10 5 GGBERN COc1ccc(Sc2ccc(C(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 ZINC000020663962 210354798 /nfs/dbraw/zinc/35/47/98/210354798.db2.gz HINQJDVDULYMDO-UHFFFAOYSA-N 0 0 387.461 3.142 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000020373396 210330473 /nfs/dbraw/zinc/33/04/73/210330473.db2.gz LNFWJTXOQJZKAU-CQSZACIVSA-N 0 0 383.404 3.212 10 5 GGBERN O=C(Nc1ccccc1Cl)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000020405961 210331421 /nfs/dbraw/zinc/33/14/21/210331421.db2.gz UAKXJQYWDGYZCB-UHFFFAOYSA-N 0 0 375.816 3.387 10 5 GGBERN CC(C)(C)OC(=O)NCC1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000095087869 136177680 /nfs/dbraw/zinc/17/76/80/136177680.db2.gz UXGIVCQVUFZDEM-UHFFFAOYSA-N 0 0 387.440 3.279 10 5 GGBERN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000095087510 136177773 /nfs/dbraw/zinc/17/77/73/136177773.db2.gz OKZKJHDNGKQACQ-CYBMUJFWSA-N 0 0 387.440 3.279 10 5 GGBERN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000095074492 136177800 /nfs/dbraw/zinc/17/78/00/136177800.db2.gz NVJFSYWWEKMLMZ-AWEZNQCLSA-N 0 0 387.440 3.374 10 5 GGBERN C[C@@H](OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000106522612 136191546 /nfs/dbraw/zinc/19/15/46/136191546.db2.gz MHTPAHBOTHMOCV-ZIAGYGMSSA-N 0 0 391.468 3.291 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2cnccn2)cc1 ZINC000040134995 221912085 /nfs/dbraw/zinc/91/20/85/221912085.db2.gz QGWDIFQZMOMLLI-UHFFFAOYSA-N 0 0 386.389 3.286 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CC2CCCC2)[nH]1 ZINC000011500382 526079169 /nfs/dbraw/zinc/07/91/69/526079169.db2.gz PKCVGZOHNNRAIP-UHFFFAOYSA-N 0 0 375.454 3.485 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCc1ccccc1 ZINC000007239053 527338365 /nfs/dbraw/zinc/33/83/65/527338365.db2.gz LWQVIKGBOOHCAH-UHFFFAOYSA-N 0 0 375.450 3.034 10 5 GGBERN CN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3nc21 ZINC000096942607 536399179 /nfs/dbraw/zinc/39/91/79/536399179.db2.gz VCBAHYPPNRIKAO-FLIBITNWSA-N 0 0 375.388 3.034 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114741620 564181145 /nfs/dbraw/zinc/18/11/45/564181145.db2.gz CBJFIYSBIHHKPO-SNVBAGLBSA-N 0 0 387.870 3.273 10 5 GGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114741889 564182585 /nfs/dbraw/zinc/18/25/85/564182585.db2.gz LIRHNDXYBXRHLA-ZDUSSCGKSA-N 0 0 381.479 3.182 10 5 GGBERN O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1ccccc1Br ZINC000003229090 564194245 /nfs/dbraw/zinc/19/42/45/564194245.db2.gz BBSDCDVXRHKGRQ-UHFFFAOYSA-N 0 0 394.177 3.162 10 5 GGBERN O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCN(c3ccccn3)CC2)c1 ZINC000003325908 564195210 /nfs/dbraw/zinc/19/52/10/564195210.db2.gz FPBGUSAURBXZAB-UHFFFAOYSA-N 0 0 377.857 3.162 10 5 GGBERN Cc1c(Br)c([N+](=O)[O-])nn1CCCC(=O)Nc1cc(C)ccc1O ZINC000004881407 564208378 /nfs/dbraw/zinc/20/83/78/564208378.db2.gz JXNZLTYUYSAXCH-UHFFFAOYSA-N 0 0 397.229 3.295 10 5 GGBERN Cc1nn(CCCC(=O)Nc2cc(Br)ccc2O)c(C)c1[N+](=O)[O-] ZINC000004873888 564208607 /nfs/dbraw/zinc/20/86/07/564208607.db2.gz PCDTYGOWMUBRTE-UHFFFAOYSA-N 0 0 397.229 3.295 10 5 GGBERN COc1ccc(NC(=O)CCCn2nc([N+](=O)[O-])c(Br)c2C)cc1 ZINC000004881421 564209365 /nfs/dbraw/zinc/20/93/65/564209365.db2.gz KJIRHRRTYKLPQR-UHFFFAOYSA-N 0 0 397.229 3.290 10 5 GGBERN COc1ccc(OC)c(CCNC(=O)CSc2ccsc2[N+](=O)[O-])c1 ZINC000005035908 564211895 /nfs/dbraw/zinc/21/18/95/564211895.db2.gz CJJAXTFTTHKZKP-UHFFFAOYSA-N 0 0 382.463 3.125 10 5 GGBERN Cn1ccnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000005358622 564215475 /nfs/dbraw/zinc/21/54/75/564215475.db2.gz NNYRTIWDQCMFSH-UHFFFAOYSA-N 0 0 375.435 3.183 10 5 GGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc([N+](=O)[O-])ccc1Br ZINC000117669736 564230332 /nfs/dbraw/zinc/23/03/32/564230332.db2.gz CYHQPYGOCSTVJA-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(SCc2ccccc2[N+](=O)[O-])nc1 ZINC000007052034 564230743 /nfs/dbraw/zinc/23/07/43/564230743.db2.gz ONRSGMMDWDTWBO-UHFFFAOYSA-N 0 0 381.479 3.313 10 5 GGBERN C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1F ZINC000007202779 564233494 /nfs/dbraw/zinc/23/34/94/564233494.db2.gz KUHFHDMBZRPTPY-QMMMGPOBSA-N 0 0 384.161 3.297 10 5 GGBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCc2cccc(Br)c2C1 ZINC000118280733 564237826 /nfs/dbraw/zinc/23/78/26/564237826.db2.gz QXLJGTUMOQSWJY-UHFFFAOYSA-N 0 0 391.221 3.321 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000118753225 564246024 /nfs/dbraw/zinc/24/60/24/564246024.db2.gz MYRIWGVAXTZZOT-LBPRGKRZSA-N 0 0 383.223 3.298 10 5 GGBERN O=C(COc1c(Cl)cccc1Cl)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000009388625 564253064 /nfs/dbraw/zinc/25/30/64/564253064.db2.gz DZUNNEXAYCGNFP-AWEZNQCLSA-N 0 0 385.203 3.130 10 5 GGBERN C[C@@H](Sc1nc(=O)c2ccsc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009762795 564255072 /nfs/dbraw/zinc/25/50/72/564255072.db2.gz GQTGDRQOHNKSMW-MRVPVSSYSA-N 0 0 376.419 3.012 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(N2CCCC2)c1 ZINC000119134190 564256383 /nfs/dbraw/zinc/25/63/83/564256383.db2.gz ZNJKKUGLFHWVBG-GFCCVEGCSA-N 0 0 381.479 3.296 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1c[nH]cc(Br)c1=O ZINC000119458159 564272214 /nfs/dbraw/zinc/27/22/14/564272214.db2.gz WKWUUYNSLJWYET-UHFFFAOYSA-N 0 0 386.589 3.293 10 5 GGBERN CC(C)c1nnc(CCC(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)o1 ZINC000119604295 564278290 /nfs/dbraw/zinc/27/82/90/564278290.db2.gz WDVNCWVQCVYRIT-UHFFFAOYSA-N 0 0 383.202 3.435 10 5 GGBERN O=[N+]([O-])c1ccccc1CNCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000119735771 564285796 /nfs/dbraw/zinc/28/57/96/564285796.db2.gz IESFDXKDEDAGLS-UHFFFAOYSA-N 0 0 388.225 3.432 10 5 GGBERN O=[N+]([O-])c1cc(CNCc2nnc(-c3ccc(Br)cc3)[nH]2)cs1 ZINC000119733437 564285915 /nfs/dbraw/zinc/28/59/15/564285915.db2.gz CLFFBSOLTKCBMS-UHFFFAOYSA-N 0 0 394.254 3.494 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2cc[nH]n2)CC1 ZINC000119739039 564286287 /nfs/dbraw/zinc/28/62/87/564286287.db2.gz IVSOIPFBOKBONF-UHFFFAOYSA-N 0 0 393.241 3.029 10 5 GGBERN O=c1c2cc(Br)cc(F)c2ncn1Cc1csc([N+](=O)[O-])c1 ZINC000119779084 564287782 /nfs/dbraw/zinc/28/77/82/564287782.db2.gz NJVKMDMESVMJJP-UHFFFAOYSA-N 0 0 384.186 3.316 10 5 GGBERN Cc1cnc(CCN(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000119884027 564293178 /nfs/dbraw/zinc/29/31/78/564293178.db2.gz NFPTXUOZWKFCQT-UHFFFAOYSA-N 0 0 384.255 3.437 10 5 GGBERN CN1C(=O)C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)cc1 ZINC000119940243 564295830 /nfs/dbraw/zinc/29/58/30/564295830.db2.gz QMOGYOLANQLIQX-XHDPSFHLSA-N 0 0 379.825 3.012 10 5 GGBERN CN1C(=O)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)cc1 ZINC000119939916 564295917 /nfs/dbraw/zinc/29/59/17/564295917.db2.gz QMOGYOLANQLIQX-IAQYHMDHSA-N 0 0 379.825 3.012 10 5 GGBERN COc1ccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cn1 ZINC000121504438 564371788 /nfs/dbraw/zinc/37/17/88/564371788.db2.gz BZMSFPIALSTUQW-UHFFFAOYSA-N 0 0 377.154 3.478 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCSc3ccncc32)cc1[N+](=O)[O-] ZINC000121495597 564372011 /nfs/dbraw/zinc/37/20/11/564372011.db2.gz SFYMNSHZDPWAHD-UHFFFAOYSA-N 0 0 385.854 3.253 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](c3cccs3)C2)c1C ZINC000121629808 564378334 /nfs/dbraw/zinc/37/83/34/564378334.db2.gz ITELBJHPPXXVIW-AWEZNQCLSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)c1C ZINC000121629960 564378744 /nfs/dbraw/zinc/37/87/44/564378744.db2.gz ITELBJHPPXXVIW-CQSZACIVSA-N 0 0 382.463 3.035 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2(c3ccccc3Cl)CC2)c1 ZINC000121698944 564382381 /nfs/dbraw/zinc/38/23/81/564382381.db2.gz NMRVDLWZDRYZSI-UHFFFAOYSA-N 0 0 380.853 3.399 10 5 GGBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1coc(Br)c1 ZINC000121707789 564382515 /nfs/dbraw/zinc/38/25/15/564382515.db2.gz TXVFGCMJPRHKRD-UHFFFAOYSA-N 0 0 383.154 3.364 10 5 GGBERN C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000032038438 564395927 /nfs/dbraw/zinc/39/59/27/564395927.db2.gz VNPJJMWFENNQFC-QMMMGPOBSA-N 0 0 399.881 3.378 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCSc3ncccc32)cc1[N+](=O)[O-] ZINC000122174251 564403345 /nfs/dbraw/zinc/40/33/45/564403345.db2.gz FDTKRBQJWLZSDI-UHFFFAOYSA-N 0 0 385.854 3.253 10 5 GGBERN COc1ccc(C[C@@H](C)CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000122229760 564405369 /nfs/dbraw/zinc/40/53/69/564405369.db2.gz WFBZPCKNRYJDAM-GFCCVEGCSA-N 0 0 384.479 3.164 10 5 GGBERN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc(Br)c3)C2)nc1 ZINC000122262432 564406653 /nfs/dbraw/zinc/40/66/53/564406653.db2.gz IJLZUKDFQUWUNI-AWEZNQCLSA-N 0 0 377.242 3.439 10 5 GGBERN COC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000122285405 564407797 /nfs/dbraw/zinc/40/77/97/564407797.db2.gz YPOKVIIDMQSMCL-HNNXBMFYSA-N 0 0 379.210 3.475 10 5 GGBERN COc1ccc(CNC(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC000122793395 564427569 /nfs/dbraw/zinc/42/75/69/564427569.db2.gz ZVSNWYYAUXQLBO-UHFFFAOYSA-N 0 0 395.209 3.061 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOc3ccc(C(F)(F)F)cc32)s1 ZINC000122883256 564430430 /nfs/dbraw/zinc/43/04/30/564430430.db2.gz KBRBSGWZNDCRLH-UHFFFAOYSA-N 0 0 394.352 3.263 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2F)nc1 ZINC000042096816 564441881 /nfs/dbraw/zinc/44/18/81/564441881.db2.gz CYZDUHBUOUKREH-UHFFFAOYSA-N 0 0 385.442 3.311 10 5 GGBERN CS(=O)(=O)c1cc(NCc2cc(Br)cs2)ccc1[N+](=O)[O-] ZINC000123857384 564464314 /nfs/dbraw/zinc/46/43/14/564464314.db2.gz DLYCROAROQKBLJ-UHFFFAOYSA-N 0 0 391.268 3.434 10 5 GGBERN Cc1cnc(CCN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000124124185 564472204 /nfs/dbraw/zinc/47/22/04/564472204.db2.gz GDIMSYHWYVJRDL-UHFFFAOYSA-N 0 0 384.255 3.437 10 5 GGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1n1ccnc1 ZINC000124294048 564477616 /nfs/dbraw/zinc/47/76/16/564477616.db2.gz FETYBZXQXUUQJF-NHYWBVRUSA-N 0 0 393.241 3.277 10 5 GGBERN C[C@H](Cc1ccc(O)cc1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124332407 564478978 /nfs/dbraw/zinc/47/89/78/564478978.db2.gz NVDPPOWBNSTINT-LLVKDONJSA-N 0 0 384.841 3.206 10 5 GGBERN Cc1csc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)C2)n1 ZINC000124383919 564480526 /nfs/dbraw/zinc/48/05/26/564480526.db2.gz FUKPXDQQPVPBAX-GFCCVEGCSA-N 0 0 381.479 3.147 10 5 GGBERN CC(C)(C)c1csc(CCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)n1 ZINC000124675974 564489555 /nfs/dbraw/zinc/48/95/55/564489555.db2.gz GWPBGCXKGIUMTF-UHFFFAOYSA-N 0 0 383.495 3.407 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000124708354 564490496 /nfs/dbraw/zinc/49/04/96/564490496.db2.gz ODNOQDHEPIEKQD-UHFFFAOYSA-N 0 0 393.241 3.409 10 5 GGBERN C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000046294144 564501023 /nfs/dbraw/zinc/50/10/23/564501023.db2.gz RILBRMOGVBRKPR-QMMMGPOBSA-N 0 0 388.854 3.204 10 5 GGBERN O=C(CN1CCO[C@H](c2ccsc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125676043 564522934 /nfs/dbraw/zinc/52/29/34/564522934.db2.gz IKAZTCIBFCPOKJ-HNNXBMFYSA-N 0 0 381.841 3.322 10 5 GGBERN COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cn1 ZINC000125704380 564523227 /nfs/dbraw/zinc/52/32/27/564523227.db2.gz DFAGZQHPRKLHNE-UHFFFAOYSA-N 0 0 377.154 3.478 10 5 GGBERN O=C(CN1CCO[C@@H](c2ccsc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126678774 564558256 /nfs/dbraw/zinc/55/82/56/564558256.db2.gz IUNXFAXTXCJHHJ-OAHLLOKOSA-N 0 0 381.841 3.322 10 5 GGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000127172424 564575833 /nfs/dbraw/zinc/57/58/33/564575833.db2.gz SSWZTMADSOKADC-JTQLQIEISA-N 0 0 386.499 3.264 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1=O ZINC000127191841 564576778 /nfs/dbraw/zinc/57/67/78/564576778.db2.gz DNSQKLIWAXJPKM-SNVBAGLBSA-N 0 0 384.219 3.249 10 5 GGBERN CCCN(CCc1ccccn1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000127200633 564576964 /nfs/dbraw/zinc/57/69/64/564576964.db2.gz SPUODGQLXQZMRE-UHFFFAOYSA-N 0 0 383.857 3.287 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(Br)ccc2OC(F)F)c1=O ZINC000127239371 564578135 /nfs/dbraw/zinc/57/81/35/564578135.db2.gz CRUYYQSQSOLOKT-UHFFFAOYSA-N 0 0 389.152 3.477 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000127460305 564584427 /nfs/dbraw/zinc/58/44/27/564584427.db2.gz ORAPDCRJRVRXGP-OAHLLOKOSA-N 0 0 382.463 3.035 10 5 GGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000127582261 564589074 /nfs/dbraw/zinc/58/90/74/564589074.db2.gz NXMHZBFAHHEFPF-ZDUSSCGKSA-N 0 0 388.854 3.072 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000127798226 564597244 /nfs/dbraw/zinc/59/72/44/564597244.db2.gz PMHIOCOFRRCVGP-GFCCVEGCSA-N 0 0 388.854 3.072 10 5 GGBERN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127974008 564602972 /nfs/dbraw/zinc/60/29/72/564602972.db2.gz RIHILWPWZLUXHM-BLLLJJGKSA-N 0 0 383.242 3.125 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000055012738 564614002 /nfs/dbraw/zinc/61/40/02/564614002.db2.gz GGSZLCXDQPVFMT-GFCCVEGCSA-N 0 0 381.797 3.450 10 5 GGBERN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000128624577 564623595 /nfs/dbraw/zinc/62/35/95/564623595.db2.gz RDVCNJFNUACYDM-JTQLQIEISA-N 0 0 382.825 3.143 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000128733051 564627376 /nfs/dbraw/zinc/62/73/76/564627376.db2.gz MKYORMPXHWXPAU-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000128759240 564629250 /nfs/dbraw/zinc/62/92/50/564629250.db2.gz DJMLQGUAAOSLQL-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000129145337 564639272 /nfs/dbraw/zinc/63/92/72/564639272.db2.gz BVOZKWFWCWKSKU-BXUZGUMPSA-N 0 0 382.463 3.026 10 5 GGBERN CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000056077214 564640608 /nfs/dbraw/zinc/64/06/08/564640608.db2.gz GFODPFPTTBYHJY-UHFFFAOYSA-N 0 0 384.841 3.468 10 5 GGBERN O=C1Nc2ccccc2[C@@H]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000129309156 564645079 /nfs/dbraw/zinc/64/50/79/564645079.db2.gz XPSGEWYNDVWATD-NSHDSACASA-N 0 0 377.198 3.290 10 5 GGBERN Cc1sc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000056468418 564649162 /nfs/dbraw/zinc/64/91/62/564649162.db2.gz LWNZHYRSCBILCV-UHFFFAOYSA-N 0 0 379.463 3.061 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000057022199 564658152 /nfs/dbraw/zinc/65/81/52/564658152.db2.gz KRDWOWJPCQSYRH-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000129963270 564665976 /nfs/dbraw/zinc/66/59/76/564665976.db2.gz BSFRJQYMXNRVGM-ZDUSSCGKSA-N 0 0 376.722 3.255 10 5 GGBERN Cc1csc(C2CCN(S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000057876084 564676488 /nfs/dbraw/zinc/67/64/88/564676488.db2.gz STGUSGBEMYUKLU-UHFFFAOYSA-N 0 0 381.479 3.236 10 5 GGBERN CCCN(CCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000057924227 564677429 /nfs/dbraw/zinc/67/74/29/564677429.db2.gz URGPKQPGLAUUOO-UHFFFAOYSA-N 0 0 383.857 3.287 10 5 GGBERN CCN(CCc1nccs1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000131158466 564703481 /nfs/dbraw/zinc/70/34/81/564703481.db2.gz SDUQDVRIKNAIHT-UHFFFAOYSA-N 0 0 381.479 3.487 10 5 GGBERN CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242427 564726094 /nfs/dbraw/zinc/72/60/94/564726094.db2.gz DFSNTAGYANSFGD-UHFFFAOYSA-N 0 0 380.369 3.496 10 5 GGBERN COc1ccc2ccccc2c1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245208 564727167 /nfs/dbraw/zinc/72/71/67/564727167.db2.gz GDGCJLZZNQLVKD-UHFFFAOYSA-N 0 0 378.431 3.297 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCSc2ccc(F)cc2)s1 ZINC000064242637 564727383 /nfs/dbraw/zinc/72/73/83/564727383.db2.gz RGPCXAFVYFMJID-UHFFFAOYSA-N 0 0 376.456 3.256 10 5 GGBERN CN(C[C@@H]1CCCO1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000131939224 564729334 /nfs/dbraw/zinc/72/93/34/564729334.db2.gz WBOGRABDCRYETN-VIFPVBQESA-N 0 0 377.622 3.262 10 5 GGBERN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCSCC1 ZINC000065062331 564738411 /nfs/dbraw/zinc/73/84/11/564738411.db2.gz PAOATUYSSIDSRJ-UHFFFAOYSA-N 0 0 377.388 3.381 10 5 GGBERN Cc1cccc(C(=O)NCc2cn3cc(Br)ccc3n2)c1[N+](=O)[O-] ZINC000065522593 564744038 /nfs/dbraw/zinc/74/40/38/564744038.db2.gz KZDOSNATLGARBJ-UHFFFAOYSA-N 0 0 389.209 3.243 10 5 GGBERN O=[N+]([O-])c1cc(COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1 ZINC000065694294 564747505 /nfs/dbraw/zinc/74/75/05/564747505.db2.gz FVCHMLSGULMCMT-UHFFFAOYSA-N 0 0 382.463 3.410 10 5 GGBERN COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1CO ZINC000132601294 564747990 /nfs/dbraw/zinc/74/79/90/564747990.db2.gz QVKQDTZEIYVMMK-UHFFFAOYSA-N 0 0 381.182 3.111 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc(F)cc(Br)c2)s1 ZINC000066001376 564753598 /nfs/dbraw/zinc/75/35/98/564753598.db2.gz JGVRBDKHABNESY-UHFFFAOYSA-N 0 0 395.231 3.036 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc(F)ccc2Br)s1 ZINC000066001249 564753674 /nfs/dbraw/zinc/75/36/74/564753674.db2.gz HGKDZIFYMIPCSZ-UHFFFAOYSA-N 0 0 395.231 3.036 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cccc(OC(F)F)c32)s1 ZINC000066001601 564753712 /nfs/dbraw/zinc/75/37/12/564753712.db2.gz SRWSMJVGUMPMSY-UHFFFAOYSA-N 0 0 390.389 3.399 10 5 GGBERN CN(CCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001288 564753852 /nfs/dbraw/zinc/75/38/52/564753852.db2.gz SYZNFUJSZQHHET-UHFFFAOYSA-N 0 0 390.870 3.399 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc(OC(F)(F)F)cc2)s1 ZINC000066000728 564753970 /nfs/dbraw/zinc/75/39/70/564753970.db2.gz BWUMULYGGNSVES-UHFFFAOYSA-N 0 0 396.368 3.076 10 5 GGBERN COc1cccc(C[C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066001295 564754092 /nfs/dbraw/zinc/75/40/92/564754092.db2.gz KNWVNHSPTOEOJK-CYBMUJFWSA-N 0 0 382.463 3.061 10 5 GGBERN COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1CO ZINC000132821681 564754099 /nfs/dbraw/zinc/75/40/99/564754099.db2.gz COEHIHSEBQSAPZ-UHFFFAOYSA-N 0 0 395.209 3.039 10 5 GGBERN CCN(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000066327802 564762527 /nfs/dbraw/zinc/76/25/27/564762527.db2.gz UPMIORZITYEBGE-GFCCVEGCSA-N 0 0 389.524 3.079 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)s1 ZINC000066333865 564762574 /nfs/dbraw/zinc/76/25/74/564762574.db2.gz OQNYQQYTRAGXMZ-CQSZACIVSA-N 0 0 382.463 3.026 10 5 GGBERN Cc1c(F)cc(S(=O)(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000133114513 564763643 /nfs/dbraw/zinc/76/36/43/564763643.db2.gz XPZLXINRYJNJTA-UWVGGRQHSA-N 0 0 384.351 3.442 10 5 GGBERN Cc1ccc([C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCO2)o1 ZINC000133456674 564775290 /nfs/dbraw/zinc/77/52/90/564775290.db2.gz WWQQCESNBKWYDY-HNNXBMFYSA-N 0 0 395.209 3.472 10 5 GGBERN Cc1ncc([N+](=O)[O-])n1CCCOc1cccc(I)c1 ZINC000133486097 564775758 /nfs/dbraw/zinc/77/57/58/564775758.db2.gz YKAOTWBUBJNYFB-UHFFFAOYSA-N 0 0 387.177 3.173 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000133709186 564782769 /nfs/dbraw/zinc/78/27/69/564782769.db2.gz HPMUAWBCBZAPKR-JTQLQIEISA-N 0 0 378.226 3.422 10 5 GGBERN CSc1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000067435483 564792683 /nfs/dbraw/zinc/79/26/83/564792683.db2.gz QUNYDRSXZGSEIZ-UHFFFAOYSA-N 0 0 379.825 3.225 10 5 GGBERN COc1ccc(CC(=O)NCCc2ccccc2Br)cc1[N+](=O)[O-] ZINC000067822100 564799723 /nfs/dbraw/zinc/79/97/23/564799723.db2.gz VKPHJYFAANXNJC-UHFFFAOYSA-N 0 0 393.237 3.267 10 5 GGBERN Cc1csc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000067950947 564804025 /nfs/dbraw/zinc/80/40/25/564804025.db2.gz SHDQWDIEBMTQJH-SECBINFHSA-N 0 0 375.859 3.361 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC[C@@H]1CCCC[C@H]1O ZINC000134474172 564804679 /nfs/dbraw/zinc/80/46/79/564804679.db2.gz CCLWGGIJZGEHDW-BLLLJJGKSA-N 0 0 399.285 3.347 10 5 GGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000134580677 564808276 /nfs/dbraw/zinc/80/82/76/564808276.db2.gz LUQVCUTVAGNHEL-ABAIWWIYSA-N 0 0 385.258 3.418 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000134652580 564811112 /nfs/dbraw/zinc/81/11/12/564811112.db2.gz LSUDTSRBWVVELQ-GFCCVEGCSA-N 0 0 388.873 3.327 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c3cccnc23)n1 ZINC000138479457 564866758 /nfs/dbraw/zinc/86/67/58/564866758.db2.gz MKOVSYRCQSNMPY-UHFFFAOYSA-N 0 0 390.197 3.374 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(Br)c1 ZINC000092825960 564882141 /nfs/dbraw/zinc/88/21/41/564882141.db2.gz YFGHJXCKLVKBRA-SNVBAGLBSA-N 0 0 393.245 3.063 10 5 GGBERN COc1cc(S(=O)(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000150782442 564889784 /nfs/dbraw/zinc/88/97/84/564889784.db2.gz JTCWTBOPEQYJOV-UWVGGRQHSA-N 0 0 382.360 3.003 10 5 GGBERN COc1cc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000150782427 564890340 /nfs/dbraw/zinc/89/03/40/564890340.db2.gz JTCWTBOPEQYJOV-VHSXEESVSA-N 0 0 382.360 3.003 10 5 GGBERN COc1cc(S(=O)(=O)N[C@H](C)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000150787409 564890783 /nfs/dbraw/zinc/89/07/83/564890783.db2.gz ZIHXJAWDOBRXSB-MRVPVSSYSA-N 0 0 376.843 3.358 10 5 GGBERN COc1cc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000150787381 564891176 /nfs/dbraw/zinc/89/11/76/564891176.db2.gz ZIHXJAWDOBRXSB-QMMMGPOBSA-N 0 0 376.843 3.358 10 5 GGBERN COc1cc(S(=O)(=O)N(C)Cc2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000150811383 564892160 /nfs/dbraw/zinc/89/21/60/564892160.db2.gz XDHCAYWYNMBPPA-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN CCc1nn(C)c(N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1[N+](=O)[O-] ZINC000094131740 564897439 /nfs/dbraw/zinc/89/74/39/564897439.db2.gz WAXICFMHGSJACC-UHFFFAOYSA-N 0 0 386.239 3.272 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1NC[C@@H]1CCCC[C@@H]1O ZINC000096867212 564903051 /nfs/dbraw/zinc/90/30/51/564903051.db2.gz YUCCLTSTYSISPY-ZANVPECISA-N 0 0 376.194 3.162 10 5 GGBERN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000151126289 564906002 /nfs/dbraw/zinc/90/60/02/564906002.db2.gz ZRHWGFYUVRNHTL-CQSZACIVSA-N 0 0 393.193 3.001 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151319754 564914230 /nfs/dbraw/zinc/91/42/30/564914230.db2.gz BCGOEXJBYDTWEA-SUMWQHHRSA-N 0 0 397.269 3.053 10 5 GGBERN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)cc3)CC2)nc1 ZINC000101558122 564917641 /nfs/dbraw/zinc/91/76/41/564917641.db2.gz JYEDUYHOFBCVAA-UHFFFAOYSA-N 0 0 377.242 3.075 10 5 GGBERN CN(Cc1nc2ccccc2s1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151416622 564918711 /nfs/dbraw/zinc/91/87/11/564918711.db2.gz FAKIOTSKYKEQBC-UHFFFAOYSA-N 0 0 377.447 3.166 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000151444897 564920506 /nfs/dbraw/zinc/92/05/06/564920506.db2.gz YXANIFOEKUFRLA-HNNXBMFYSA-N 0 0 382.438 3.390 10 5 GGBERN CC(C)(C)OCc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000101927082 564924239 /nfs/dbraw/zinc/92/42/39/564924239.db2.gz ZIZKJTHLIKKLAE-UHFFFAOYSA-N 0 0 384.479 3.450 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](Oc2cccnc2)C1 ZINC000151539014 564925587 /nfs/dbraw/zinc/92/55/87/564925587.db2.gz SLTDUTROHCHCER-ZDUSSCGKSA-N 0 0 392.209 3.046 10 5 GGBERN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000151876571 564940212 /nfs/dbraw/zinc/94/02/12/564940212.db2.gz WKSLTLWVEFDGQY-KOLCDFICSA-N 0 0 377.622 3.044 10 5 GGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000103152557 564943679 /nfs/dbraw/zinc/94/36/79/564943679.db2.gz PCVPEBQQMQHXLZ-VIFPVBQESA-N 0 0 389.227 3.298 10 5 GGBERN CCC(CC)(NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000103421404 564947937 /nfs/dbraw/zinc/94/79/37/564947937.db2.gz CKGYYDQYSXCAIV-UHFFFAOYSA-N 0 0 386.239 3.325 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3Cl)C2)s1 ZINC000103497038 564949776 /nfs/dbraw/zinc/94/97/76/564949776.db2.gz LWTDTOOWXRIOKA-GFCCVEGCSA-N 0 0 388.854 3.072 10 5 GGBERN O=[N+]([O-])c1nn(C[C@@H](O)Cc2ccccc2C(F)(F)F)cc1Br ZINC000152300024 564953400 /nfs/dbraw/zinc/95/34/00/564953400.db2.gz ITVHQGLOKCVFAG-VIFPVBQESA-N 0 0 394.147 3.176 10 5 GGBERN CC(C)c1ccccc1OC[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000152288218 564953663 /nfs/dbraw/zinc/95/36/63/564953663.db2.gz VETQWQUIYRRHTO-NSHDSACASA-N 0 0 384.230 3.117 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3cc(Br)ccc32)c1 ZINC000152342400 564956011 /nfs/dbraw/zinc/95/60/11/564956011.db2.gz IVAUVZSSCYLOEY-UHFFFAOYSA-N 0 0 397.250 3.250 10 5 GGBERN Cc1cnc(CCN(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000152544879 564963182 /nfs/dbraw/zinc/96/31/82/564963182.db2.gz LRBPGFMIJPEUBB-UHFFFAOYSA-N 0 0 383.857 3.483 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000152578622 564964505 /nfs/dbraw/zinc/96/45/05/564964505.db2.gz QNJAVIVADNYALG-GHMZBOCLSA-N 0 0 389.271 3.086 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1nc(-c2cccs2)no1 ZINC000105713697 564973465 /nfs/dbraw/zinc/97/34/65/564973465.db2.gz BYSAQIZFZZFOTG-SNVBAGLBSA-N 0 0 379.419 3.382 10 5 GGBERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152915422 564977486 /nfs/dbraw/zinc/97/74/86/564977486.db2.gz NJFNYLFTQDAFOK-UFBFGSQYSA-N 0 0 391.649 3.292 10 5 GGBERN O=C1N[C@@]2(CCc3cc(Cl)ccc32)C(=O)N1Cc1csc([N+](=O)[O-])c1 ZINC000152988128 564980834 /nfs/dbraw/zinc/98/08/34/564980834.db2.gz QLKFHTRRIFENDZ-MRXNPFEDSA-N 0 0 377.809 3.203 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1sc(C)nc1C ZINC000106897152 564991058 /nfs/dbraw/zinc/99/10/58/564991058.db2.gz BYAIEWUKJHCDJC-SNVBAGLBSA-N 0 0 385.467 3.058 10 5 GGBERN CN(Cc1ccc(Cl)s1)C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153298258 564991201 /nfs/dbraw/zinc/99/12/01/564991201.db2.gz VGTPVFZUMLJLHT-UHFFFAOYSA-N 0 0 379.869 3.326 10 5 GGBERN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(Br)s1 ZINC000153439999 564995155 /nfs/dbraw/zinc/99/51/55/564995155.db2.gz COOXJTCPMHIZAJ-UHFFFAOYSA-N 0 0 394.044 3.391 10 5 GGBERN COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(Cl)c(F)c1 ZINC000153473865 564997420 /nfs/dbraw/zinc/99/74/20/564997420.db2.gz QAZMTQBMKNHERK-ZDUSSCGKSA-N 0 0 386.788 3.401 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCc1cccc(Br)c1 ZINC000108754285 565016611 /nfs/dbraw/zinc/01/66/11/565016611.db2.gz PTUDEIDCQROQDU-UHFFFAOYSA-N 0 0 378.226 3.423 10 5 GGBERN Cc1ccc(OC[C@H](O)COc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC000154006113 565021990 /nfs/dbraw/zinc/02/19/90/565021990.db2.gz SREMKNXQZJYUAT-LBPRGKRZSA-N 0 0 382.210 3.484 10 5 GGBERN COc1cccc([C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CCO2)c1 ZINC000154122440 565027184 /nfs/dbraw/zinc/02/71/84/565027184.db2.gz CWWLKAVYDLEZLS-HNNXBMFYSA-N 0 0 394.225 3.339 10 5 GGBERN C[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000154203426 565029501 /nfs/dbraw/zinc/02/95/01/565029501.db2.gz KOFPKIWBDULQKM-SECBINFHSA-N 0 0 383.476 3.176 10 5 GGBERN C[C@@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000154203342 565029807 /nfs/dbraw/zinc/02/98/07/565029807.db2.gz KOFPKIWBDULQKM-VIFPVBQESA-N 0 0 383.476 3.176 10 5 GGBERN Cc1sc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000110335665 565040197 /nfs/dbraw/zinc/04/01/97/565040197.db2.gz OWHCIPBNNVRZCT-NSHDSACASA-N 0 0 379.825 3.153 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000154620528 565046519 /nfs/dbraw/zinc/04/65/19/565046519.db2.gz JCWPYLXBHIUOCY-SWLSCSKDSA-N 0 0 384.816 3.363 10 5 GGBERN CCOC(=O)c1sc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)nc1C ZINC000154608402 565046716 /nfs/dbraw/zinc/04/67/16/565046716.db2.gz JAVZBORGTFKOCS-MRVPVSSYSA-N 0 0 383.451 3.397 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000154620717 565046719 /nfs/dbraw/zinc/04/67/19/565046719.db2.gz JCWPYLXBHIUOCY-IUODEOHRSA-N 0 0 384.816 3.363 10 5 GGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110877733 565046724 /nfs/dbraw/zinc/04/67/24/565046724.db2.gz QLNKAHMEQWYFRV-BXUZGUMPSA-N 0 0 379.463 3.132 10 5 GGBERN C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc2O1 ZINC000155109859 565061728 /nfs/dbraw/zinc/06/17/28/565061728.db2.gz USKLKTTZMCWWRG-NSHDSACASA-N 0 0 382.825 3.366 10 5 GGBERN Cc1sc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000112307156 565062357 /nfs/dbraw/zinc/06/23/57/565062357.db2.gz UWWFZCBIVHXJJX-UHFFFAOYSA-N 0 0 379.463 3.015 10 5 GGBERN O=[N+]([O-])c1cccnc1S(=O)(=O)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000112753762 565066163 /nfs/dbraw/zinc/06/61/63/565066163.db2.gz QQOSRDWRDTXUPN-UHFFFAOYSA-N 0 0 379.781 3.272 10 5 GGBERN CC(C)c1cc(Br)ccc1OC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000155469774 565068315 /nfs/dbraw/zinc/06/83/15/565068315.db2.gz GRMZMOSWMOLIPV-ZDUSSCGKSA-N 0 0 384.230 3.117 10 5 GGBERN CO[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000156098251 565075053 /nfs/dbraw/zinc/07/50/53/565075053.db2.gz NIYHUAJQFPATBB-MRXNPFEDSA-N 0 0 384.841 3.055 10 5 GGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCc2cccc(Br)c2C1 ZINC000183606457 565082110 /nfs/dbraw/zinc/08/21/10/565082110.db2.gz ALGGHRSKOZIGQT-UHFFFAOYSA-N 0 0 377.198 3.343 10 5 GGBERN Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183675625 565087496 /nfs/dbraw/zinc/08/74/96/565087496.db2.gz BOZRRIOBPMMEOK-SECBINFHSA-N 0 0 387.845 3.071 10 5 GGBERN CCOc1ccc(C(=O)NCc2ccc(O)c(Br)c2)cc1[N+](=O)[O-] ZINC000156521855 565092548 /nfs/dbraw/zinc/09/25/48/565092548.db2.gz KJGNVEMCFOGVHI-UHFFFAOYSA-N 0 0 395.209 3.392 10 5 GGBERN CC(C)N([C@H]1CCOC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000292030982 565093292 /nfs/dbraw/zinc/09/32/92/565093292.db2.gz DSLGHDZMHSAYSH-VIFPVBQESA-N 0 0 383.253 3.090 10 5 GGBERN CCC1(CC)CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000183871233 565099669 /nfs/dbraw/zinc/09/96/69/565099669.db2.gz LTDNTNDPYRRBEL-YMXBGEKHSA-N 0 0 384.523 3.225 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)c1cccc(Br)c1 ZINC000183878001 565099837 /nfs/dbraw/zinc/09/98/37/565099837.db2.gz LQZRTNKEXJAEPV-OAHLLOKOSA-N 0 0 381.226 3.189 10 5 GGBERN Cn1cc(-c2cc(COc3c(Br)cccc3[N+](=O)[O-])on2)cn1 ZINC000184027136 565111041 /nfs/dbraw/zinc/11/10/41/565111041.db2.gz NETBWMPAYGBPLC-UHFFFAOYSA-N 0 0 379.170 3.325 10 5 GGBERN C[C@]12CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@H]1C2(F)F ZINC000292390495 565113936 /nfs/dbraw/zinc/11/39/36/565113936.db2.gz SEXIEYQBIOTELG-PWSUYJOCSA-N 0 0 384.763 3.053 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c(Br)c1 ZINC000267658438 565126054 /nfs/dbraw/zinc/12/60/54/565126054.db2.gz MYSVRJOTVJETIF-SNVBAGLBSA-N 0 0 394.229 3.397 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC[C@H](c3noc(C4CC4)n3)C2)c(Br)c1 ZINC000267658436 565126312 /nfs/dbraw/zinc/12/63/12/565126312.db2.gz MYSVRJOTVJETIF-JTQLQIEISA-N 0 0 394.229 3.397 10 5 GGBERN O=C(Cc1ccc(Br)s1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370091542 565127475 /nfs/dbraw/zinc/12/74/75/565127475.db2.gz KJZKXLQADANQMQ-UHFFFAOYSA-N 0 0 399.270 3.022 10 5 GGBERN COc1ccc(OCCN[C@@H](c2nccs2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000292888207 565139572 /nfs/dbraw/zinc/13/95/72/565139572.db2.gz FOZMGXVBNOHBHS-LBPRGKRZSA-N 0 0 377.344 3.332 10 5 GGBERN O=C(CN1CCO[C@H](c2cccs2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157754665 565142392 /nfs/dbraw/zinc/14/23/92/565142392.db2.gz OVYQKZMCTMTDIX-AWEZNQCLSA-N 0 0 381.841 3.322 10 5 GGBERN C[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2cc(Cl)ccc2O1 ZINC000184600733 565146292 /nfs/dbraw/zinc/14/62/92/565146292.db2.gz USWHTDKPVAZYLA-NSHDSACASA-N 0 0 382.825 3.366 10 5 GGBERN C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2cc(Cl)ccc2O1 ZINC000184600724 565146829 /nfs/dbraw/zinc/14/68/29/565146829.db2.gz USWHTDKPVAZYLA-LLVKDONJSA-N 0 0 382.825 3.366 10 5 GGBERN Cc1csc([C@H]2CCCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000184596530 565146907 /nfs/dbraw/zinc/14/69/07/565146907.db2.gz CPHHYAHWZAIVQO-ZDUSSCGKSA-N 0 0 381.479 3.069 10 5 GGBERN CCCOc1ccc2c(c1)CCN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000157957778 565150654 /nfs/dbraw/zinc/15/06/54/565150654.db2.gz QVGWNBFLKYETNH-UHFFFAOYSA-N 0 0 382.463 3.192 10 5 GGBERN Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nnn1C(C)C ZINC000293246605 565158417 /nfs/dbraw/zinc/15/84/17/565158417.db2.gz RHUFYCUTBRWWSP-UHFFFAOYSA-N 0 0 382.218 3.399 10 5 GGBERN CCS[C@H]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184988347 565170326 /nfs/dbraw/zinc/17/03/26/565170326.db2.gz IVGQKUYZTKXOCE-NEPJUHHUSA-N 0 0 376.475 3.337 10 5 GGBERN Cc1cc(CC(C)(C)NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Br ZINC000293578527 565175105 /nfs/dbraw/zinc/17/51/05/565175105.db2.gz AMLJKNKSOPTHAJ-UHFFFAOYSA-N 0 0 395.257 3.150 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000269971033 565204497 /nfs/dbraw/zinc/20/44/97/565204497.db2.gz KVNOLPHNMQSIHH-UHFFFAOYSA-N 0 0 393.241 3.409 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1SC1CCOCC1 ZINC000270192500 565211378 /nfs/dbraw/zinc/21/13/78/565211378.db2.gz OVBHRBSGPRXRBY-UHFFFAOYSA-N 0 0 386.495 3.041 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)s1 ZINC000159785007 565217854 /nfs/dbraw/zinc/21/78/54/565217854.db2.gz UGNFEAPPOYVIJE-JSGCOSHPSA-N 0 0 382.463 3.103 10 5 GGBERN C[C@@]12CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]1C2(F)F ZINC000294608810 565220621 /nfs/dbraw/zinc/22/06/21/565220621.db2.gz HULQHRAMNGNDNK-WCQYABFASA-N 0 0 375.169 3.475 10 5 GGBERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000185796091 565221189 /nfs/dbraw/zinc/22/11/89/565221189.db2.gz NYPFYFDWQCNGGU-GFCCVEGCSA-N 0 0 381.479 3.182 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC(c3c[nH]cn3)CC2)cc1[N+](=O)[O-] ZINC000372195881 565225635 /nfs/dbraw/zinc/22/56/35/565225635.db2.gz MDEQWOQGHIMKFI-UHFFFAOYSA-N 0 0 393.241 3.409 10 5 GGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(C)=O)s1 ZINC000270691659 565225742 /nfs/dbraw/zinc/22/57/42/565225742.db2.gz CIIJGXSJDDHKQQ-UHFFFAOYSA-N 0 0 381.435 3.245 10 5 GGBERN COc1cccc([C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CCO2)c1 ZINC000270881131 565230996 /nfs/dbraw/zinc/23/09/96/565230996.db2.gz DTQMPZITGZRFEN-OAHLLOKOSA-N 0 0 394.225 3.339 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCc3c(Cl)cc(F)cc3C2)s1 ZINC000294896199 565234660 /nfs/dbraw/zinc/23/46/60/565234660.db2.gz HSQFQJZOAZJTNY-UHFFFAOYSA-N 0 0 390.845 3.415 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000186000451 565235222 /nfs/dbraw/zinc/23/52/22/565235222.db2.gz KFSHPLDGYXYWKK-UHFFFAOYSA-N 0 0 378.837 3.484 10 5 GGBERN Cc1cccc2[nH]c(CNC(=O)c3ccc([N+](=O)[O-])cc3Br)nc21 ZINC000160370348 565242454 /nfs/dbraw/zinc/24/24/54/565242454.db2.gz KJHVWPROUQHMPP-UHFFFAOYSA-N 0 0 389.209 3.472 10 5 GGBERN COc1c(F)cc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000186220987 565247425 /nfs/dbraw/zinc/24/74/25/565247425.db2.gz GVDLUOWTIUQGFG-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN COc1c(F)cc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000186237972 565248333 /nfs/dbraw/zinc/24/83/33/565248333.db2.gz LABQTUFDWKBTFJ-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])Sc1ccc(Br)cc1 ZINC000271337053 565248811 /nfs/dbraw/zinc/24/88/11/565248811.db2.gz BUGYMTIDZNVWHW-SECBINFHSA-N 0 0 399.270 3.001 10 5 GGBERN Cc1cc(Cl)c(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000295239291 565253995 /nfs/dbraw/zinc/25/39/95/565253995.db2.gz PECLPPTXTCCTCK-GFCCVEGCSA-N 0 0 376.722 3.324 10 5 GGBERN Cc1cc(Cl)c(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000295239293 565254147 /nfs/dbraw/zinc/25/41/47/565254147.db2.gz PECLPPTXTCCTCK-LBPRGKRZSA-N 0 0 376.722 3.324 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000186467656 565262080 /nfs/dbraw/zinc/26/20/80/565262080.db2.gz NPHWMJASYHBXSQ-UHFFFAOYSA-N 0 0 394.225 3.365 10 5 GGBERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000161001434 565267422 /nfs/dbraw/zinc/26/74/22/565267422.db2.gz WSIWFUYMMXBCLA-KOLCDFICSA-N 0 0 377.447 3.271 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000373167613 565273135 /nfs/dbraw/zinc/27/31/35/565273135.db2.gz YLFHMCWVBFVQNM-UHFFFAOYSA-N 0 0 384.211 3.161 10 5 GGBERN CC(C)N(Cc1ccc(Br)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272376641 565286156 /nfs/dbraw/zinc/28/61/56/565286156.db2.gz AWOVYUBUMDSNOM-UHFFFAOYSA-N 0 0 381.230 3.142 10 5 GGBERN CC(C)N(Cc1cccc(Br)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272393920 565286511 /nfs/dbraw/zinc/28/65/11/565286511.db2.gz DGXRIOCPHRBRBX-UHFFFAOYSA-N 0 0 381.230 3.142 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000162083325 565303674 /nfs/dbraw/zinc/30/36/74/565303674.db2.gz LJWBNYYQPFPAEY-UHFFFAOYSA-N 0 0 376.722 3.273 10 5 GGBERN CN(C[C@@H]1CCCCO1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296521187 565321778 /nfs/dbraw/zinc/32/17/78/565321778.db2.gz CFGSXVQFIJDQKT-VIFPVBQESA-N 0 0 383.253 3.091 10 5 GGBERN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000162767511 565327038 /nfs/dbraw/zinc/32/70/38/565327038.db2.gz RQXKFFQSBPNSLR-UHFFFAOYSA-N 0 0 377.813 3.281 10 5 GGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000374370824 565335694 /nfs/dbraw/zinc/33/56/94/565335694.db2.gz GNTLQZVYSXYVQW-LBPRGKRZSA-N 0 0 392.209 3.193 10 5 GGBERN Cc1csc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000163269735 565341589 /nfs/dbraw/zinc/34/15/89/565341589.db2.gz YWZMPFLRODNEML-QMMMGPOBSA-N 0 0 395.384 3.418 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374548934 565345337 /nfs/dbraw/zinc/34/53/37/565345337.db2.gz JHQKXJDSRQYJBU-QGZVFWFLSA-N 0 0 392.253 3.283 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374667239 565350047 /nfs/dbraw/zinc/35/00/47/565350047.db2.gz ZSIZXJJEOURAKV-ZDUSSCGKSA-N 0 0 390.237 3.457 10 5 GGBERN CC(C)N([C@H]1CCOC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000297023717 565351569 /nfs/dbraw/zinc/35/15/69/565351569.db2.gz KPRWLDKJRZFJGY-VIFPVBQESA-N 0 0 383.253 3.090 10 5 GGBERN CC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H](O)C(F)F ZINC000297131348 565357998 /nfs/dbraw/zinc/35/79/98/565357998.db2.gz OIDFAIQTGXTTBJ-KWQFWETISA-N 0 0 396.188 3.192 10 5 GGBERN CC[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H](O)C(F)F ZINC000297131345 565358082 /nfs/dbraw/zinc/35/80/82/565358082.db2.gz OIDFAIQTGXTTBJ-KCJUWKMLSA-N 0 0 396.188 3.192 10 5 GGBERN NC(=O)[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21 ZINC000374901188 565359312 /nfs/dbraw/zinc/35/93/12/565359312.db2.gz JCWJVVIUGQOOLH-ZDUSSCGKSA-N 0 0 390.237 3.337 10 5 GGBERN O=C(Nc1c[nH]nc1-c1ccccc1)c1cc([N+](=O)[O-])ncc1Br ZINC000375092690 565368273 /nfs/dbraw/zinc/36/82/73/565368273.db2.gz CJNXIVAJHLGVHQ-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN Cc1nc([C@H]2CCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000188004670 565370162 /nfs/dbraw/zinc/37/01/62/565370162.db2.gz LJFAFVFNAYQEPU-MRXNPFEDSA-N 0 0 381.479 3.069 10 5 GGBERN O=C([C@H]1CCCOCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000375118101 565370343 /nfs/dbraw/zinc/37/03/43/565370343.db2.gz JFPONBNVHFTOQI-NSHDSACASA-N 0 0 383.242 3.059 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC2(C1)CCOCC2 ZINC000375536941 565393507 /nfs/dbraw/zinc/39/35/07/565393507.db2.gz JIAGZCFXMOOEJC-UHFFFAOYSA-N 0 0 384.230 3.392 10 5 GGBERN Cn1ccnc1[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375541835 565394773 /nfs/dbraw/zinc/39/47/73/565394773.db2.gz SXRVVCOIVBBWOQ-JTQLQIEISA-N 0 0 394.229 3.112 10 5 GGBERN CCOC(=O)c1ccnc(Sc2nnc(C(F)(F)F)s2)c1[N+](=O)[O-] ZINC000275453918 565412080 /nfs/dbraw/zinc/41/20/80/565412080.db2.gz GXOYGGXXDHZFOA-UHFFFAOYSA-N 0 0 380.329 3.188 10 5 GGBERN COc1cc(Br)ccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376033633 565419513 /nfs/dbraw/zinc/41/95/13/565419513.db2.gz FIKJCMCUEITRPB-UHFFFAOYSA-N 0 0 395.257 3.400 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C(F)(F)F)s1 ZINC000275704439 565423891 /nfs/dbraw/zinc/42/38/91/565423891.db2.gz RKFOVJZXHWLRFD-UHFFFAOYSA-N 0 0 394.356 3.205 10 5 GGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc(Cl)s1 ZINC000298813558 565430222 /nfs/dbraw/zinc/43/02/22/565430222.db2.gz ALQQLHIUOCOHHF-UHFFFAOYSA-N 0 0 387.870 3.373 10 5 GGBERN Cc1csc(C2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)n1 ZINC000171426633 565431982 /nfs/dbraw/zinc/43/19/82/565431982.db2.gz KDOYIUCJAVEFCX-UHFFFAOYSA-N 0 0 385.442 3.067 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCCc3c(Br)cccc32)n1 ZINC000376340309 565432196 /nfs/dbraw/zinc/43/21/96/565432196.db2.gz KINNWWQNVBYBHS-UHFFFAOYSA-N 0 0 379.214 3.074 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)c1 ZINC000376400269 565433986 /nfs/dbraw/zinc/43/39/86/565433986.db2.gz SPYYQILEOPWAOP-UHFFFAOYSA-N 0 0 376.423 3.119 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccnc2)s1 ZINC000171768559 565449041 /nfs/dbraw/zinc/44/90/41/565449041.db2.gz ROAKPXWVDFDHQF-INIZCTEOSA-N 0 0 375.431 3.119 10 5 GGBERN CCOC(=O)c1csc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000276551562 565452872 /nfs/dbraw/zinc/45/28/72/565452872.db2.gz HVBAARZLLWXTMF-UHFFFAOYSA-N 0 0 383.813 3.120 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189244976 565453812 /nfs/dbraw/zinc/45/38/12/565453812.db2.gz TZIAFVBPOZJRHV-UHFFFAOYSA-N 0 0 379.210 3.225 10 5 GGBERN CC(C)[C@](C)(NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000276663372 565457040 /nfs/dbraw/zinc/45/70/40/565457040.db2.gz GFGBCTVHSPJVAI-INIZCTEOSA-N 0 0 395.257 3.392 10 5 GGBERN COc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1Br ZINC000301063665 565463081 /nfs/dbraw/zinc/46/30/81/565463081.db2.gz CIOAHXFCSJMVPZ-MRVPVSSYSA-N 0 0 395.213 3.033 10 5 GGBERN Cc1cc2c(ncnc2N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)s1 ZINC000189525394 565471892 /nfs/dbraw/zinc/47/18/92/565471892.db2.gz DGTHTAFSVVIOQG-UHFFFAOYSA-N 0 0 375.479 3.292 10 5 GGBERN COc1cnccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000189544309 565474096 /nfs/dbraw/zinc/47/40/96/565474096.db2.gz YISGRMSTRFAPMM-SECBINFHSA-N 0 0 380.198 3.252 10 5 GGBERN C[C@@H]1SCCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)[C@H]1C ZINC000301282720 565476957 /nfs/dbraw/zinc/47/69/57/565476957.db2.gz LHCWVLJMCSCXIG-QWRGUYRKSA-N 0 0 380.857 3.124 10 5 GGBERN Cc1csc(CN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000301281639 565477007 /nfs/dbraw/zinc/47/70/07/565477007.db2.gz KSFGBFVRBXPQHI-UHFFFAOYSA-N 0 0 395.384 3.290 10 5 GGBERN COc1cc(N2CCN(c3ccc(Br)cn3)CC2)ccc1[N+](=O)[O-] ZINC000301327952 565479311 /nfs/dbraw/zinc/47/93/11/565479311.db2.gz AAYBAXZLUUPAHG-UHFFFAOYSA-N 0 0 393.241 3.088 10 5 GGBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCc2cccc(Br)c2C1 ZINC000172388605 565482259 /nfs/dbraw/zinc/48/22/59/565482259.db2.gz HDABPPQLPQABQH-UHFFFAOYSA-N 0 0 390.237 3.354 10 5 GGBERN Cn1cc(N2CCC[C@@H](Nc3ccc(Br)cc3[N+](=O)[O-])C2)cn1 ZINC000301409333 565483826 /nfs/dbraw/zinc/48/38/26/565483826.db2.gz JCENQRJTQJDRAR-GFCCVEGCSA-N 0 0 380.246 3.172 10 5 GGBERN NC(=O)c1ccc(CN2CCc3cccc(Br)c3C2)c([N+](=O)[O-])c1 ZINC000172405240 565483943 /nfs/dbraw/zinc/48/39/43/565483943.db2.gz LHFOPOPETOVMRF-UHFFFAOYSA-N 0 0 390.237 3.015 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2cccc(Br)c2C1 ZINC000172416503 565485349 /nfs/dbraw/zinc/48/53/49/565485349.db2.gz IGJXUQYVNUPJHK-UHFFFAOYSA-N 0 0 397.250 3.104 10 5 GGBERN CO[C@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000301418326 565485345 /nfs/dbraw/zinc/48/53/45/565485345.db2.gz BJXWTGSSGMNXSZ-AAEUAGOBSA-N 0 0 382.360 3.258 10 5 GGBERN Cc1ccc(N2CCN(c3ccc(Br)cn3)CC2)c([N+](=O)[O-])c1 ZINC000301443760 565487062 /nfs/dbraw/zinc/48/70/62/565487062.db2.gz OLSJBIDZLQBLNG-UHFFFAOYSA-N 0 0 377.242 3.387 10 5 GGBERN Cn1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3Br)C2)cn1 ZINC000301454517 565487181 /nfs/dbraw/zinc/48/71/81/565487181.db2.gz YISCXCROHLELSU-NSHDSACASA-N 0 0 380.246 3.172 10 5 GGBERN COc1cc(CNc2ncc([N+](=O)[O-])cc2Br)cc(OC)c1O ZINC000301523863 565492318 /nfs/dbraw/zinc/49/23/18/565492318.db2.gz ICBUXTYQGXINSH-UHFFFAOYSA-N 0 0 384.186 3.087 10 5 GGBERN CC(C)(C)C(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301587251 565497599 /nfs/dbraw/zinc/49/75/99/565497599.db2.gz RVCUBHDZPCXRTM-UHFFFAOYSA-N 0 0 384.274 3.442 10 5 GGBERN CCN(CC)C(=O)C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301640109 565500781 /nfs/dbraw/zinc/50/07/81/565500781.db2.gz BASREGCOIUIYBQ-UHFFFAOYSA-N 0 0 384.274 3.442 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(Br)c(F)c3)cc2N1 ZINC000301676960 565503628 /nfs/dbraw/zinc/50/36/28/565503628.db2.gz HZDKVDCVUVNPRV-UHFFFAOYSA-N 0 0 396.172 3.439 10 5 GGBERN O=C(C1CCCCC1)N1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301681489 565504745 /nfs/dbraw/zinc/50/47/45/565504745.db2.gz TUNCWDQOFFFLKA-CYBMUJFWSA-N 0 0 397.273 3.345 10 5 GGBERN Cc1cnc(NCc2nnc(-c3ccc(Br)cc3)[nH]2)c([N+](=O)[O-])c1 ZINC000172807972 565504919 /nfs/dbraw/zinc/50/49/19/565504919.db2.gz ZCRADZPRVZAITJ-UHFFFAOYSA-N 0 0 389.213 3.458 10 5 GGBERN Cc1ccc(C)c(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000190071420 565505416 /nfs/dbraw/zinc/50/54/16/565505416.db2.gz LTSFWCWZGKIAPY-AWEZNQCLSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1ccc(C)c(S(=O)(=O)N2CCO[C@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000190074354 565506304 /nfs/dbraw/zinc/50/63/04/565506304.db2.gz XEYBEHSWLRVKBG-ZDUSSCGKSA-N 0 0 382.463 3.035 10 5 GGBERN CC(C)OC(=O)N1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301712072 565507049 /nfs/dbraw/zinc/50/70/49/565507049.db2.gz YFTUGCCCOPJDQY-UHFFFAOYSA-N 0 0 387.234 3.174 10 5 GGBERN COc1ccc(Br)cc1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000172869797 565508691 /nfs/dbraw/zinc/50/86/91/565508691.db2.gz ZJPHDECCKFTFTR-UHFFFAOYSA-N 0 0 393.237 3.267 10 5 GGBERN CSc1ccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277591285 565508772 /nfs/dbraw/zinc/50/87/72/565508772.db2.gz NDHCKOAYNXBIDI-MFKMUULPSA-N 0 0 378.372 3.092 10 5 GGBERN CO[C@H]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301791324 565510361 /nfs/dbraw/zinc/51/03/61/565510361.db2.gz RGHWEOOJNSYQJT-UWVGGRQHSA-N 0 0 382.360 3.258 10 5 GGBERN COc1ccc(Br)cc1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172896626 565510706 /nfs/dbraw/zinc/51/07/06/565510706.db2.gz ZFTOHSJFZBYISJ-UHFFFAOYSA-N 0 0 379.210 3.225 10 5 GGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H](c2ccsc2)O1 ZINC000301789981 565510940 /nfs/dbraw/zinc/51/09/40/565510940.db2.gz MZCABIPTIGPFPE-ABAIWWIYSA-N 0 0 382.463 3.026 10 5 GGBERN O=C(c1ccccn1)N1CC[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000301828334 565512138 /nfs/dbraw/zinc/51/21/38/565512138.db2.gz GEFHOUZCSOBFCL-LBPRGKRZSA-N 0 0 391.225 3.079 10 5 GGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301898690 565516191 /nfs/dbraw/zinc/51/61/91/565516191.db2.gz SKNCRWNAXMOCDK-NSHDSACASA-N 0 0 399.289 3.129 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000301898726 565516971 /nfs/dbraw/zinc/51/69/71/565516971.db2.gz SMBPUUNPKLXWMD-VIFPVBQESA-N 0 0 398.648 3.492 10 5 GGBERN CCO[C@H]1C[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000301924091 565518647 /nfs/dbraw/zinc/51/86/47/565518647.db2.gz FZZXIQYIYWRZRH-STQMWFEESA-N 0 0 388.511 3.234 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2Cc2cccc(F)c2)s1 ZINC000301933895 565520087 /nfs/dbraw/zinc/52/00/87/565520087.db2.gz NVKQUYISCGXRHR-ZDUSSCGKSA-N 0 0 384.454 3.410 10 5 GGBERN CCc1cnc(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000173034026 565521428 /nfs/dbraw/zinc/52/14/28/565521428.db2.gz JAXXNZJWUCUOMW-UHFFFAOYSA-N 0 0 383.857 3.395 10 5 GGBERN CCc1cnc(CCNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])s1 ZINC000173033833 565521588 /nfs/dbraw/zinc/52/15/88/565521588.db2.gz GCCXNZHSPIZMEC-UHFFFAOYSA-N 0 0 381.479 3.317 10 5 GGBERN CN(CCc1ccc(Br)cc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301967327 565522357 /nfs/dbraw/zinc/52/23/57/565522357.db2.gz LGOJCHDHKBABBB-UHFFFAOYSA-N 0 0 376.214 3.079 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(NCCc3cc(Br)ccc3F)nn21 ZINC000302003519 565524441 /nfs/dbraw/zinc/52/44/41/565524441.db2.gz RKQBCNJZHXVKDQ-UHFFFAOYSA-N 0 0 380.177 3.194 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277854472 565525423 /nfs/dbraw/zinc/52/54/23/565525423.db2.gz JOJLZDMVOHIMBG-TVQRCGJNSA-N 0 0 378.372 3.092 10 5 GGBERN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccccc1Br ZINC000302018161 565525629 /nfs/dbraw/zinc/52/56/29/565525629.db2.gz ZLBMMJCBDZVGND-SNVBAGLBSA-N 0 0 392.213 3.279 10 5 GGBERN Cc1noc([C@@H](C)N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000302026161 565526693 /nfs/dbraw/zinc/52/66/93/565526693.db2.gz KZDZQHMTHICJAW-SECBINFHSA-N 0 0 386.239 3.476 10 5 GGBERN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000302073616 565528190 /nfs/dbraw/zinc/52/81/90/565528190.db2.gz GBKXSAUULZOMDX-MRXNPFEDSA-N 0 0 381.841 3.459 10 5 GGBERN COc1ccnc(N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000302052578 565528232 /nfs/dbraw/zinc/52/82/32/565528232.db2.gz YAJFTUMXJHBXNE-UHFFFAOYSA-N 0 0 384.223 3.027 10 5 GGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000302146180 565533187 /nfs/dbraw/zinc/53/31/87/565533187.db2.gz JKANLEODITVJBI-GFCCVEGCSA-N 0 0 397.229 3.153 10 5 GGBERN Cc1cnc(CCN(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])s1 ZINC000277994197 565533334 /nfs/dbraw/zinc/53/33/34/565533334.db2.gz HCSGHTWINVUUAI-UHFFFAOYSA-N 0 0 390.284 3.498 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N(CC(F)F)C2CC2)cc1[N+](=O)[O-] ZINC000173201415 565536330 /nfs/dbraw/zinc/53/63/30/565536330.db2.gz GWSDCWBKELVXFZ-UHFFFAOYSA-N 0 0 399.213 3.084 10 5 GGBERN C[C@@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000190497067 565536996 /nfs/dbraw/zinc/53/69/96/565536996.db2.gz BLEMVCNAAZJSNP-QGZVFWFLSA-N 0 0 399.285 3.347 10 5 GGBERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000173213599 565537242 /nfs/dbraw/zinc/53/72/42/565537242.db2.gz RZONVLKFRJDAHL-UWVGGRQHSA-N 0 0 377.260 3.166 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000302227841 565538098 /nfs/dbraw/zinc/53/80/98/565538098.db2.gz QNFLGKNXBUKKIV-UHFFFAOYSA-N 0 0 382.251 3.056 10 5 GGBERN O=[N+]([O-])c1cnc(Nc2cccc(Oc3ncc(Br)cn3)c2)nc1 ZINC000302241596 565538729 /nfs/dbraw/zinc/53/87/29/565538729.db2.gz YAXFSJCNOFIKMX-UHFFFAOYSA-N 0 0 389.169 3.473 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC([C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000190526269 565539258 /nfs/dbraw/zinc/53/92/58/565539258.db2.gz HGARJPCCLDRATI-INIZCTEOSA-N 0 0 388.873 3.136 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000278227152 565546281 /nfs/dbraw/zinc/54/62/81/565546281.db2.gz UVYGPTFDQVMCCZ-UHFFFAOYSA-N 0 0 379.766 3.267 10 5 GGBERN CO[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000302595868 565547474 /nfs/dbraw/zinc/54/74/74/565547474.db2.gz XIFXFAIQBZBGNN-TVQRCGJNSA-N 0 0 376.194 3.061 10 5 GGBERN CN(Cc1ccc(Br)cc1Cl)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000302647333 565548411 /nfs/dbraw/zinc/54/84/11/565548411.db2.gz AVYNTODOUZDJPL-UHFFFAOYSA-N 0 0 399.632 3.141 10 5 GGBERN CC1(C)CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000302734160 565553521 /nfs/dbraw/zinc/55/35/21/565553521.db2.gz VQMXNKYNNITKKE-VIFPVBQESA-N 0 0 386.417 3.475 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000278427707 565557725 /nfs/dbraw/zinc/55/77/25/565557725.db2.gz CXPXQQFSLVININ-UHFFFAOYSA-N 0 0 376.722 3.239 10 5 GGBERN C[C@@H]1COCC[C@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000278553567 565566043 /nfs/dbraw/zinc/56/60/43/565566043.db2.gz OTYBFPLWXAFNTB-MWLCHTKSSA-N 0 0 378.372 3.247 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000173600831 565570903 /nfs/dbraw/zinc/57/09/03/565570903.db2.gz LDNZNBXZVSJVQG-CQSZACIVSA-N 0 0 388.873 3.361 10 5 GGBERN Cc1ccc(NCCCNC(=O)c2coc(Br)c2)c([N+](=O)[O-])c1 ZINC000303886216 565575587 /nfs/dbraw/zinc/57/55/87/565575587.db2.gz ZADGAKPEJLIQSU-UHFFFAOYSA-N 0 0 382.214 3.491 10 5 GGBERN O=C(NCC1(CO)CC2(CCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000279096516 565595302 /nfs/dbraw/zinc/59/53/02/565595302.db2.gz JARVWUODWMKHHG-UHFFFAOYSA-N 0 0 383.242 3.030 10 5 GGBERN Cc1cc(NCc2nnc(-c3ccc(Br)cc3)[nH]2)ncc1[N+](=O)[O-] ZINC000173915358 565598547 /nfs/dbraw/zinc/59/85/47/565598547.db2.gz QTZUMQPQVFQVIX-UHFFFAOYSA-N 0 0 389.213 3.458 10 5 GGBERN CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)C[C@]2(CCOC2)O1 ZINC000408337689 565603906 /nfs/dbraw/zinc/60/39/06/565603906.db2.gz VTIGZLHYKPTYOO-WBMJQRKESA-N 0 0 385.258 3.440 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)c(Br)c1 ZINC000408447300 565609298 /nfs/dbraw/zinc/60/92/98/565609298.db2.gz WOGMQNPUQZHZID-GHMZBOCLSA-N 0 0 389.271 3.168 10 5 GGBERN C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000408445980 565609495 /nfs/dbraw/zinc/60/94/95/565609495.db2.gz FKALUCAHTOKUFL-JTQLQIEISA-N 0 0 377.260 3.168 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)c2ccc(Br)cc2)n1 ZINC000191538626 565611841 /nfs/dbraw/zinc/61/18/41/565611841.db2.gz YFEMPVAVXXZDGB-UHFFFAOYSA-N 0 0 395.257 3.281 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H]1c1ccncc1 ZINC000323480628 565614417 /nfs/dbraw/zinc/61/44/17/565614417.db2.gz ZZMUVNCPKRRYBP-CYBMUJFWSA-N 0 0 377.198 3.125 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Br)ccc2C1 ZINC000191600247 565615707 /nfs/dbraw/zinc/61/57/07/565615707.db2.gz LEZOXWSVDPFJSJ-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCn1cc(Br)cn1 ZINC000279519888 565616932 /nfs/dbraw/zinc/61/69/32/565616932.db2.gz VEYMDLXZTDGJML-UHFFFAOYSA-N 0 0 381.230 3.072 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2csc(Br)c2)C2CC2)n1 ZINC000191684373 565620425 /nfs/dbraw/zinc/62/04/25/565620425.db2.gz JMRVUJBZKVZZTI-UHFFFAOYSA-N 0 0 399.270 3.440 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)n1 ZINC000191674908 565620805 /nfs/dbraw/zinc/62/08/05/565620805.db2.gz PQSLWYAABVNQJG-SECBINFHSA-N 0 0 399.220 3.074 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(Br)cc2F)n1 ZINC000191685805 565621699 /nfs/dbraw/zinc/62/16/99/565621699.db2.gz DIEBNGOXVJSVJL-UHFFFAOYSA-N 0 0 375.129 3.104 10 5 GGBERN CCn1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1C ZINC000325608814 565622419 /nfs/dbraw/zinc/62/24/19/565622419.db2.gz BDTRTOQPOLMPND-UHFFFAOYSA-N 0 0 396.241 3.149 10 5 GGBERN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409541063 565623648 /nfs/dbraw/zinc/62/36/48/565623648.db2.gz MZNJZPMKJQQNQJ-UFBFGSQYSA-N 0 0 382.269 3.031 10 5 GGBERN CS(=O)(=O)NC[C@@H]1CCC[C@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409541062 565623799 /nfs/dbraw/zinc/62/37/99/565623799.db2.gz MZNJZPMKJQQNQJ-QPUJVOFHSA-N 0 0 382.269 3.031 10 5 GGBERN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC000328050066 565634907 /nfs/dbraw/zinc/63/49/07/565634907.db2.gz GZIHFFJYZZZRDV-UHFFFAOYSA-N 0 0 384.797 3.144 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c(Br)c1 ZINC000409896010 565647932 /nfs/dbraw/zinc/64/79/32/565647932.db2.gz HZMPVLPGUFIYCP-SNVBAGLBSA-N 0 0 399.213 3.166 10 5 GGBERN Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000192036161 565652206 /nfs/dbraw/zinc/65/22/06/565652206.db2.gz SFEWUWABTRVCCC-OAHLLOKOSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000192043314 565652351 /nfs/dbraw/zinc/65/23/51/565652351.db2.gz VNAIZVHOZPNKGV-AWEZNQCLSA-N 0 0 382.463 3.035 10 5 GGBERN CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280433214 565671789 /nfs/dbraw/zinc/67/17/89/565671789.db2.gz BJTNZPITLDOZPW-CYBMUJFWSA-N 0 0 384.230 3.005 10 5 GGBERN Cc1cc([C@H]2CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Br ZINC000280555095 565680240 /nfs/dbraw/zinc/68/02/40/565680240.db2.gz JCEGHSWPESHLJF-CYBMUJFWSA-N 0 0 393.241 3.377 10 5 GGBERN Cc1cc([C@@H]2CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Br ZINC000280555101 565680283 /nfs/dbraw/zinc/68/02/83/565680283.db2.gz JCEGHSWPESHLJF-ZDUSSCGKSA-N 0 0 393.241 3.377 10 5 GGBERN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1n1ccnc1 ZINC000192366656 565683565 /nfs/dbraw/zinc/68/35/65/565683565.db2.gz CVSDWMLIBBQCDC-BXUZGUMPSA-N 0 0 393.241 3.277 10 5 GGBERN Cc1c(NC(=O)N(C)C[C@@H]2CCC[C@H]2O)cc(Br)cc1[N+](=O)[O-] ZINC000280632623 565686353 /nfs/dbraw/zinc/68/63/53/565686353.db2.gz AKLLZQMUCFXBKB-IINYFYTJSA-N 0 0 386.246 3.290 10 5 GGBERN Cc1c(NC(=O)C(=O)N(C)[C@@H](C)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280693290 565689488 /nfs/dbraw/zinc/68/94/88/565689488.db2.gz GMCBVWHSJLSOAM-JTQLQIEISA-N 0 0 386.246 3.107 10 5 GGBERN Cc1c(NC(=O)CCNC(=O)CC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280780211 565695459 /nfs/dbraw/zinc/69/54/59/565695459.db2.gz SGBIRZZPNAAJLN-UHFFFAOYSA-N 0 0 386.246 3.157 10 5 GGBERN Cc1c(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cnn1C ZINC000280830607 565699053 /nfs/dbraw/zinc/69/90/53/565699053.db2.gz VAFGXSHRVBKJBT-UHFFFAOYSA-N 0 0 382.218 3.029 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000330477758 565708524 /nfs/dbraw/zinc/70/85/24/565708524.db2.gz WSUNOTSVJZMEKU-SCZZXKLOSA-N 0 0 384.230 3.442 10 5 GGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000281053251 565710383 /nfs/dbraw/zinc/71/03/83/565710383.db2.gz KLBLGMFTBKMOJZ-AWEZNQCLSA-N 0 0 393.241 3.458 10 5 GGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC3CC2(C(F)(F)F)C3)cc1SC ZINC000411121932 565713206 /nfs/dbraw/zinc/71/32/06/565713206.db2.gz MJFDEPDWINDFIS-UHFFFAOYSA-N 0 0 376.356 3.492 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000175672403 565714816 /nfs/dbraw/zinc/71/48/16/565714816.db2.gz IPUIBUPRUGRJIO-QWRGUYRKSA-N 0 0 389.271 3.168 10 5 GGBERN COC(=O)[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000175707936 565719240 /nfs/dbraw/zinc/71/92/40/565719240.db2.gz YTGLFSKXZZPLIB-AWEZNQCLSA-N 0 0 393.193 3.001 10 5 GGBERN Cc1c(NC(=O)C(=O)N(C)CC(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000281287727 565721859 /nfs/dbraw/zinc/72/18/59/565721859.db2.gz WMBWYEGTWCRFPI-UHFFFAOYSA-N 0 0 386.246 3.109 10 5 GGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000281341930 565724420 /nfs/dbraw/zinc/72/44/20/565724420.db2.gz RLDNEWAUYGMTIJ-CQSZACIVSA-N 0 0 393.241 3.458 10 5 GGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000330859779 565726480 /nfs/dbraw/zinc/72/64/80/565726480.db2.gz RIYPEGKENKFPLL-OCCSQVGLSA-N 0 0 385.258 3.226 10 5 GGBERN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000281643301 565740246 /nfs/dbraw/zinc/74/02/46/565740246.db2.gz QUWDKHHNEBTRNI-SSDOTTSWSA-N 0 0 375.606 3.062 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)C ZINC000193252470 565740959 /nfs/dbraw/zinc/74/09/59/565740959.db2.gz QOSQBYHWMHKVHE-SECBINFHSA-N 0 0 376.194 3.282 10 5 GGBERN COC(=O)c1cc(NC(=O)N2CCC=C(Br)C2)c(C)c([N+](=O)[O-])c1 ZINC000281761072 565746944 /nfs/dbraw/zinc/74/69/44/565746944.db2.gz JLLITHACCSHDBP-UHFFFAOYSA-N 0 0 398.213 3.206 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(I)c(C)n1 ZINC000176106956 565750500 /nfs/dbraw/zinc/75/05/00/565750500.db2.gz HDCNWIMWGMYAQV-UHFFFAOYSA-N 0 0 397.172 3.464 10 5 GGBERN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC=C(Br)C1 ZINC000282144013 565765885 /nfs/dbraw/zinc/76/58/85/565765885.db2.gz HWGNKJQYWBROAY-UHFFFAOYSA-N 0 0 390.031 3.482 10 5 GGBERN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC=C(Br)C1 ZINC000282232819 565770813 /nfs/dbraw/zinc/77/08/13/565770813.db2.gz NNJYLMJPWWVSJF-UHFFFAOYSA-N 0 0 394.269 3.322 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000177268307 565839448 /nfs/dbraw/zinc/83/94/48/565839448.db2.gz MDWVSVMDSPLXTQ-SNVBAGLBSA-N 0 0 394.225 3.258 10 5 GGBERN COC(=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177386771 565847505 /nfs/dbraw/zinc/84/75/05/565847505.db2.gz GNMJBITVFPUBBX-UHFFFAOYSA-N 0 0 393.193 3.325 10 5 GGBERN O=[N+]([O-])c1cnc(NCc2nnc(-c3ccc(Br)cc3)[nH]2)s1 ZINC000195512768 565889506 /nfs/dbraw/zinc/88/95/06/565889506.db2.gz KARCNTANIGAYHG-UHFFFAOYSA-N 0 0 381.215 3.211 10 5 GGBERN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[nH]n1 ZINC000285389536 565904401 /nfs/dbraw/zinc/90/44/01/565904401.db2.gz UZZTWXMVNLLVSL-MRVPVSSYSA-N 0 0 381.230 3.058 10 5 GGBERN CCOC1CC2(C1)CCN(S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C2 ZINC000285507730 565911840 /nfs/dbraw/zinc/91/18/40/565911840.db2.gz FSTCAQZKMCXRRM-UHFFFAOYSA-N 0 0 388.873 3.136 10 5 GGBERN O=c1cc[nH]c2cc(CNc3ncc([N+](=O)[O-])cc3Br)ccc12 ZINC000225386697 565915150 /nfs/dbraw/zinc/91/51/50/565915150.db2.gz DNXGNEXGMSIPMI-UHFFFAOYSA-N 0 0 375.182 3.206 10 5 GGBERN Cc1nc(CO[C@@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)cs1 ZINC000225396898 565915173 /nfs/dbraw/zinc/91/51/73/565915173.db2.gz ARPWXELPTXWBPX-GFCCVEGCSA-N 0 0 399.270 3.313 10 5 GGBERN CC[C@H]1CO/C(=C(/C=C(\Cl)[N+](=O)[O-])[N+](=O)[O-])N1Cc1ccc(Cl)nc1 ZINC000230036411 565926758 /nfs/dbraw/zinc/92/67/58/565926758.db2.gz ZGSDIZKBJLLBNS-JSVRPKRDSA-N 0 0 389.195 3.149 10 5 GGBERN Cc1nc(C(F)(F)F)c(CS(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000414420898 565927609 /nfs/dbraw/zinc/92/76/09/565927609.db2.gz WUVHFVQMKPYAHN-UHFFFAOYSA-N 0 0 380.369 3.494 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1cccc(Br)c1 ZINC000178621233 565929184 /nfs/dbraw/zinc/92/91/84/565929184.db2.gz PWEKNAAWJYVCBZ-AWEZNQCLSA-N 0 0 380.198 3.212 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1cccc(Br)c1 ZINC000178621222 565929278 /nfs/dbraw/zinc/92/92/78/565929278.db2.gz PWEKNAAWJYVCBZ-CQSZACIVSA-N 0 0 380.198 3.212 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCc1ccccn1 ZINC000178622843 565929489 /nfs/dbraw/zinc/92/94/89/565929489.db2.gz FVYQTEYGGUBHCC-UHFFFAOYSA-N 0 0 378.226 3.044 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2sccc2Br)c1 ZINC000178670108 565932750 /nfs/dbraw/zinc/93/27/50/565932750.db2.gz AFUPLPKWJGJNBJ-UHFFFAOYSA-N 0 0 391.268 3.038 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000414458799 565936695 /nfs/dbraw/zinc/93/66/95/565936695.db2.gz YSNYNBIKLRSIKP-NSHDSACASA-N 0 0 395.384 3.250 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCOC[C@H]2CC(F)F)cc1[N+](=O)[O-] ZINC000286643084 565972601 /nfs/dbraw/zinc/97/26/01/565972601.db2.gz FTYWRILCHIFTPS-SNVBAGLBSA-N 0 0 393.184 3.162 10 5 GGBERN Cc1cc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n(C)n1 ZINC000286689443 565975353 /nfs/dbraw/zinc/97/53/53/565975353.db2.gz HUPTWVXSHHERKY-UHFFFAOYSA-N 0 0 382.218 3.029 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCOC[C@H]1CC(F)F ZINC000287212305 566004544 /nfs/dbraw/zinc/00/45/44/566004544.db2.gz UUMJVGUOUUCBNZ-SECBINFHSA-N 0 0 394.172 3.245 10 5 GGBERN Cc1c(NC(=O)NCc2nnc(C3CC3)o2)cc(Br)cc1[N+](=O)[O-] ZINC000287322909 566010909 /nfs/dbraw/zinc/01/09/09/566010909.db2.gz WLZLBVROBDJQES-UHFFFAOYSA-N 0 0 396.201 3.248 10 5 GGBERN C[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCC12CCOCC2 ZINC000363799124 566022343 /nfs/dbraw/zinc/02/23/43/566022343.db2.gz PUOXNTSXWPDZNC-NSHDSACASA-N 0 0 383.242 3.389 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000363904938 566025768 /nfs/dbraw/zinc/02/57/68/566025768.db2.gz BBEKMPPHUPHPOF-UHFFFAOYSA-N 0 0 379.825 3.121 10 5 GGBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000363889286 566026272 /nfs/dbraw/zinc/02/62/72/566026272.db2.gz OZBBTRCBTYDHNI-AWEZNQCLSA-N 0 0 391.225 3.312 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)cc([N+](=O)[O-])c1F ZINC000180104008 566032823 /nfs/dbraw/zinc/03/28/23/566032823.db2.gz BAZPFPZTWOMMEC-GFCCVEGCSA-N 0 0 385.442 3.415 10 5 GGBERN Cc1cc(=NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[nH]n1CC(F)(F)F ZINC000416093703 566034796 /nfs/dbraw/zinc/03/47/96/566034796.db2.gz NWABWKCXFINKBL-UHFFFAOYSA-N 0 0 376.722 3.298 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000287879551 566045559 /nfs/dbraw/zinc/04/55/59/566045559.db2.gz NXUDRRSTYZPSMT-AWEZNQCLSA-N 0 0 380.750 3.476 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(c2ccccn2)CC1 ZINC000364518716 566056273 /nfs/dbraw/zinc/05/62/73/566056273.db2.gz BCWJDAAQKFDBKJ-UHFFFAOYSA-N 0 0 381.841 3.212 10 5 GGBERN Cc1nn(C)c(C)c1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000180376359 566059388 /nfs/dbraw/zinc/05/93/88/566059388.db2.gz BDDBFSBXUDBFQF-UHFFFAOYSA-N 0 0 395.257 3.070 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000180435800 566062755 /nfs/dbraw/zinc/06/27/55/566062755.db2.gz LMFJTWDALMIVEN-UHFFFAOYSA-N 0 0 378.182 3.100 10 5 GGBERN Cc1nc(C(C)(C)NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)sc1C ZINC000416404983 566063493 /nfs/dbraw/zinc/06/34/93/566063493.db2.gz YORNYGJGJWCQOF-UHFFFAOYSA-N 0 0 383.495 3.499 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000180480041 566066196 /nfs/dbraw/zinc/06/61/96/566066196.db2.gz SJTSWGGBABPXOI-UHFFFAOYSA-N 0 0 392.209 3.029 10 5 GGBERN COc1cc(S(=O)(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000416478737 566073154 /nfs/dbraw/zinc/07/31/54/566073154.db2.gz DKFGVGUOKQOTCH-UHFFFAOYSA-N 0 0 384.841 3.120 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000180601306 566075998 /nfs/dbraw/zinc/07/59/98/566075998.db2.gz ZOIGFQCPIUEOQH-UHFFFAOYSA-N 0 0 376.221 3.084 10 5 GGBERN CC(C)(C)C1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000416518954 566080067 /nfs/dbraw/zinc/08/00/67/566080067.db2.gz HYMYHFWDUNORBB-UHFFFAOYSA-N 0 0 377.260 3.024 10 5 GGBERN CC(C)(C)C1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000416523689 566080236 /nfs/dbraw/zinc/08/02/36/566080236.db2.gz SNXDLZUTGOWGRG-UHFFFAOYSA-N 0 0 377.260 3.024 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@H]1C(F)F ZINC000416517976 566080339 /nfs/dbraw/zinc/08/03/39/566080339.db2.gz BZFAQZKETDNPFK-VIFPVBQESA-N 0 0 388.314 3.422 10 5 GGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000365077440 566081519 /nfs/dbraw/zinc/08/15/19/566081519.db2.gz MLNDVXSPIFCRDY-LSDHHAIUSA-N 0 0 382.203 3.027 10 5 GGBERN CCOC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000416546434 566084889 /nfs/dbraw/zinc/08/48/89/566084889.db2.gz LKRKVWUDHRMDFS-LBPRGKRZSA-N 0 0 376.862 3.136 10 5 GGBERN COCC1CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000416596009 566092329 /nfs/dbraw/zinc/09/23/29/566092329.db2.gz QXTKLJFGAQZQGT-UHFFFAOYSA-N 0 0 376.862 3.040 10 5 GGBERN C[C@H]1N(C(=O)c2cccc([N+](=O)[O-])c2Br)CCC12CCOCC2 ZINC000365352664 566096368 /nfs/dbraw/zinc/09/63/68/566096368.db2.gz BCBAQFKFTGLKBW-LLVKDONJSA-N 0 0 383.242 3.389 10 5 GGBERN C[C@@H]1N(C(=O)c2cccc([N+](=O)[O-])c2Br)CCC12CCOCC2 ZINC000365352665 566096945 /nfs/dbraw/zinc/09/69/45/566096945.db2.gz BCBAQFKFTGLKBW-NSHDSACASA-N 0 0 383.242 3.389 10 5 GGBERN O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000181111637 566115515 /nfs/dbraw/zinc/11/55/15/566115515.db2.gz QWCURHVYFJWTLM-ZDUSSCGKSA-N 0 0 399.628 3.474 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@H](CO)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000417079929 566123394 /nfs/dbraw/zinc/12/33/94/566123394.db2.gz TXBCNSWPJPVNQE-GHMZBOCLSA-N 0 0 386.246 3.290 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@H](CO)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000417079930 566123590 /nfs/dbraw/zinc/12/35/90/566123590.db2.gz TXBCNSWPJPVNQE-MNOVXSKESA-N 0 0 386.246 3.290 10 5 GGBERN CC(=O)c1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000181204578 566123728 /nfs/dbraw/zinc/12/37/28/566123728.db2.gz UAGBHGDPZDUURL-UHFFFAOYSA-N 0 0 382.825 3.435 10 5 GGBERN CCn1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000417075046 566123817 /nfs/dbraw/zinc/12/38/17/566123817.db2.gz LLLSHDMPZFCJFZ-UHFFFAOYSA-N 0 0 382.218 3.204 10 5 GGBERN Cc1c(NC(=O)N[C@@H](C)c2csnn2)cc(Br)cc1[N+](=O)[O-] ZINC000417082997 566123906 /nfs/dbraw/zinc/12/39/06/566123906.db2.gz ZBCNUFHIJAUXKX-ZETCQYMHSA-N 0 0 386.231 3.400 10 5 GGBERN O=[N+]([O-])c1cc(CN2CCC(Oc3cnccn3)CC2)ccc1Br ZINC000365942252 566127232 /nfs/dbraw/zinc/12/72/32/566127232.db2.gz TYAPFYNDYGEQFW-UHFFFAOYSA-N 0 0 393.241 3.191 10 5 GGBERN Cc1c(NC(=O)N2CC[C@](O)(C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000366724776 566165358 /nfs/dbraw/zinc/16/53/58/566165358.db2.gz FODIAYTZCSNRQF-OAHLLOKOSA-N 0 0 384.230 3.044 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@](O)(C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000366724774 566166284 /nfs/dbraw/zinc/16/62/84/566166284.db2.gz FODIAYTZCSNRQF-HNNXBMFYSA-N 0 0 384.230 3.044 10 5 GGBERN Cc1nn(CCCOc2cccc(I)c2)cc1[N+](=O)[O-] ZINC000181814372 566167750 /nfs/dbraw/zinc/16/77/50/566167750.db2.gz ZFIBAAVILFTDQI-UHFFFAOYSA-N 0 0 387.177 3.173 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000181928523 566173710 /nfs/dbraw/zinc/17/37/10/566173710.db2.gz KPQCONNTFCVTFY-VIFPVBQESA-N 0 0 375.328 3.048 10 5 GGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000290531545 566176546 /nfs/dbraw/zinc/17/65/46/566176546.db2.gz UMBQNZAZUUKSQG-SWLSCSKDSA-N 0 0 382.251 3.410 10 5 GGBERN Cc1c(NC(=O)[C@H]2CCCc3nn(C)cc32)cc(Br)cc1[N+](=O)[O-] ZINC000366999829 566180360 /nfs/dbraw/zinc/18/03/60/566180360.db2.gz YYKNDFFDFLNVRN-NSHDSACASA-N 0 0 393.241 3.458 10 5 GGBERN COc1cc(Br)ccc1CCCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000182097086 566183107 /nfs/dbraw/zinc/18/31/07/566183107.db2.gz TZVXALZRAFWIIO-UHFFFAOYSA-N 0 0 381.226 3.469 10 5 GGBERN CN(C)c1ncccc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182194542 566189753 /nfs/dbraw/zinc/18/97/53/566189753.db2.gz IAZYSDFEWQYQHX-UHFFFAOYSA-N 0 0 380.857 3.118 10 5 GGBERN Cc1nn(C)c(C)c1CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000182224959 566190645 /nfs/dbraw/zinc/19/06/45/566190645.db2.gz HHRRDCJTYDFRNZ-UHFFFAOYSA-N 0 0 395.257 3.070 10 5 GGBERN CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCCC2 ZINC000367197733 566190789 /nfs/dbraw/zinc/19/07/89/566190789.db2.gz ZNAISVCGIGEAQJ-CHWSQXEVSA-N 0 0 398.257 3.220 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000182664310 566218018 /nfs/dbraw/zinc/21/80/18/566218018.db2.gz BQCMLVUKMVKWQG-ZBEGNZNMSA-N 0 0 383.242 3.125 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000367831161 566218902 /nfs/dbraw/zinc/21/89/02/566218902.db2.gz JOHGURDOLVGYRJ-WFASDCNBSA-N 0 0 382.463 3.250 10 5 GGBERN CCOCc1nc([C@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])no1 ZINC000291426626 566219593 /nfs/dbraw/zinc/21/95/93/566219593.db2.gz LGVBDZHDNYELJR-ZETCQYMHSA-N 0 0 389.195 3.312 10 5 GGBERN O=[N+]([O-])c1cncc(I)c1N[C@H]1CCCC(F)(F)C1 ZINC000418900388 566226536 /nfs/dbraw/zinc/22/65/36/566226536.db2.gz KDHNOIYEVQVZMH-ZETCQYMHSA-N 0 0 383.136 3.006 10 5 GGBERN Cc1cc(C(C)(C)NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Br ZINC000291633762 566228808 /nfs/dbraw/zinc/22/88/08/566228808.db2.gz JTULSQMDJJGSLF-UHFFFAOYSA-N 0 0 381.230 3.064 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000291692661 566231004 /nfs/dbraw/zinc/23/10/04/566231004.db2.gz DQCRSJYYNFXJSG-LBPRGKRZSA-N 0 0 379.825 3.442 10 5 GGBERN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccc(Br)s1 ZINC000368344385 566236668 /nfs/dbraw/zinc/23/66/68/566236668.db2.gz KCTXNLVVFAAMDG-LBPRGKRZSA-N 0 0 398.282 3.418 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2cc[nH]n2)CC1 ZINC000183177545 566239778 /nfs/dbraw/zinc/23/97/78/566239778.db2.gz QKYUWHDTCCOMFM-UHFFFAOYSA-N 0 0 380.857 3.470 10 5 GGBERN O=C(C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000183236191 566241451 /nfs/dbraw/zinc/24/14/51/566241451.db2.gz CQSLKIVLLAWHES-ZDUSSCGKSA-N 0 0 380.447 3.082 10 5 GGBERN O=C(C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000183244854 566241824 /nfs/dbraw/zinc/24/18/24/566241824.db2.gz YEHUKCUJNGTZGM-JTQLQIEISA-N 0 0 386.476 3.144 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000419721520 566242729 /nfs/dbraw/zinc/24/27/29/566242729.db2.gz KJMLYTTZKFZHET-UHFFFAOYSA-N 0 0 383.857 3.419 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000183304396 566243597 /nfs/dbraw/zinc/24/35/97/566243597.db2.gz UGWGRXCBBRKEQE-LBPRGKRZSA-N 0 0 384.376 3.249 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000183458131 566247396 /nfs/dbraw/zinc/24/73/96/566247396.db2.gz KTPRJOVEPFGMPA-CYBMUJFWSA-N 0 0 381.841 3.477 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000183458149 566247487 /nfs/dbraw/zinc/24/74/87/566247487.db2.gz KTPRJOVEPFGMPA-ZDUSSCGKSA-N 0 0 381.841 3.477 10 5 GGBERN CCC(F)(F)C(C)(C)CS(=O)(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000599300624 566252845 /nfs/dbraw/zinc/25/28/45/566252845.db2.gz UOUWEGRWAJUQSP-UHFFFAOYSA-N 0 0 378.441 3.470 10 5 GGBERN O=[N+]([O-])c1cnc(NCC[C@@H]2COc3ccccc3O2)c(Br)c1 ZINC000481812174 566254141 /nfs/dbraw/zinc/25/41/41/566254141.db2.gz DFFRVZYMYYPKMB-LLVKDONJSA-N 0 0 380.198 3.394 10 5 GGBERN O=[N+]([O-])c1cc(F)c(CN[C@@H](CO)c2cccc(Br)c2)c(F)c1 ZINC000508993067 566254156 /nfs/dbraw/zinc/25/41/56/566254156.db2.gz WSNOPQPGDJDEMP-HNNXBMFYSA-N 0 0 387.180 3.459 10 5 GGBERN CC(C)N([C@@H]1CCOC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462142167 566254250 /nfs/dbraw/zinc/25/42/50/566254250.db2.gz UNNRKQJWYWCWIJ-SNVBAGLBSA-N 0 0 383.253 3.090 10 5 GGBERN CC(C)N([C@H]1CCOC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462142166 566254628 /nfs/dbraw/zinc/25/46/28/566254628.db2.gz UNNRKQJWYWCWIJ-JTQLQIEISA-N 0 0 383.253 3.090 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NCC[C@H]1COc2ccccc2O1 ZINC000481834229 566255166 /nfs/dbraw/zinc/25/51/66/566255166.db2.gz ARGGKVCGHMXAOQ-NSHDSACASA-N 0 0 380.198 3.394 10 5 GGBERN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCSC1 ZINC000534835464 566258588 /nfs/dbraw/zinc/25/85/88/566258588.db2.gz RFCQJDHTSRLLFU-ZDUSSCGKSA-N 0 0 378.479 3.094 10 5 GGBERN COc1ccc(C(C)(C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000599426256 566263625 /nfs/dbraw/zinc/26/36/25/566263625.db2.gz ADMKBOTVSGKAKB-UHFFFAOYSA-N 0 0 388.442 3.326 10 5 GGBERN COC(=O)c1ccc(CN(C)Cc2ccc(Br)cc2[N+](=O)[O-])nc1 ZINC000599450123 566265435 /nfs/dbraw/zinc/26/54/35/566265435.db2.gz NCSMBBRNYGLNRA-UHFFFAOYSA-N 0 0 394.225 3.171 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c(cccc3C(F)(F)F)C2)s1 ZINC000599450389 566265680 /nfs/dbraw/zinc/26/56/80/566265680.db2.gz UFWVNYFIQODNIM-UHFFFAOYSA-N 0 0 392.380 3.422 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)COc1cccc(Br)c1 ZINC000556048630 566267217 /nfs/dbraw/zinc/26/72/17/566267217.db2.gz ZLBPSGODUZNALK-ZDUSSCGKSA-N 0 0 382.210 3.484 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cc(C(F)(F)F)ccc3C2)s1 ZINC000599474179 566267910 /nfs/dbraw/zinc/26/79/10/566267910.db2.gz KBYMTSVDZBKODW-UHFFFAOYSA-N 0 0 392.380 3.422 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000599510704 566271690 /nfs/dbraw/zinc/27/16/90/566271690.db2.gz YEELKLZVLCIVOJ-LBPRGKRZSA-N 0 0 382.825 3.132 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c(Cl)c1 ZINC000599509407 566272467 /nfs/dbraw/zinc/27/24/67/566272467.db2.gz LJECEQZROVIVFM-GFCCVEGCSA-N 0 0 382.825 3.132 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(CC(F)F)C1CC1 ZINC000462280961 566273364 /nfs/dbraw/zinc/27/33/64/566273364.db2.gz PQMFAXCALZITBC-UHFFFAOYSA-N 0 0 375.180 3.320 10 5 GGBERN CN([C@H]1CCCC[C@H]1C(F)(F)F)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000462285637 566275400 /nfs/dbraw/zinc/27/54/00/566275400.db2.gz CBMMXOYDBNRSKF-OCCSQVGLSA-N 0 0 380.388 3.478 10 5 GGBERN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC(=O)Nc2ccccc21 ZINC000445253938 566276546 /nfs/dbraw/zinc/27/65/46/566276546.db2.gz XWVASVCRZFAVBD-UHFFFAOYSA-N 0 0 382.195 3.018 10 5 GGBERN NC(=O)c1ccc(CNc2cc(F)cc(Br)c2F)c([N+](=O)[O-])c1 ZINC000575792776 566285092 /nfs/dbraw/zinc/28/50/92/566285092.db2.gz WGHBMMOGPADXCY-UHFFFAOYSA-N 0 0 386.152 3.347 10 5 GGBERN COc1cc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)cc(Br)c1O ZINC000445398363 566287796 /nfs/dbraw/zinc/28/77/96/566287796.db2.gz SZJPPQZJTVUMGO-UHFFFAOYSA-N 0 0 381.142 3.117 10 5 GGBERN Cc1nn(C)c(C)c1CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599732676 566291489 /nfs/dbraw/zinc/29/14/89/566291489.db2.gz DYOLZEULHHVNDP-UHFFFAOYSA-N 0 0 395.257 3.070 10 5 GGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC000599745498 566291558 /nfs/dbraw/zinc/29/15/58/566291558.db2.gz CDZTYZHHDRNFCS-ZWNOBZJWSA-N 0 0 385.258 3.226 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000599748800 566292619 /nfs/dbraw/zinc/29/26/19/566292619.db2.gz ZWDVYTQLXPRCMI-ZDUSSCGKSA-N 0 0 390.237 3.457 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599784972 566295270 /nfs/dbraw/zinc/29/52/70/566295270.db2.gz HMFOJGPGTZMWQO-FZMZJTMJSA-N 0 0 384.230 3.355 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@H](CO)C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000599785145 566295296 /nfs/dbraw/zinc/29/52/96/566295296.db2.gz JVJKZTQDHRDIDJ-MWLCHTKSSA-N 0 0 386.246 3.290 10 5 GGBERN Cc1c(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000599785136 566295309 /nfs/dbraw/zinc/29/53/09/566295309.db2.gz JPGOJEIXSYISSO-PSLIRLAXSA-N 0 0 384.230 3.355 10 5 GGBERN Cc1c(NC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599785360 566295502 /nfs/dbraw/zinc/29/55/02/566295502.db2.gz QFSNGLBYEJQXRK-MEDUHNTESA-N 0 0 398.257 3.292 10 5 GGBERN Cc1cc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc(C)c1Br ZINC000445562663 566296850 /nfs/dbraw/zinc/29/68/50/566296850.db2.gz FLXYQRRRKPRGNB-UHFFFAOYSA-N 0 0 378.186 3.425 10 5 GGBERN C[C@H](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)c1ccc(Br)cc1 ZINC000445571924 566297865 /nfs/dbraw/zinc/29/78/65/566297865.db2.gz BFJYIEATROVUNU-SECBINFHSA-N 0 0 392.213 3.487 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(C(C)(C)c2cccc(Br)c2)n1 ZINC000445574428 566298503 /nfs/dbraw/zinc/29/85/03/566298503.db2.gz MBKYHRDOWAONDA-UHFFFAOYSA-N 0 0 392.213 3.467 10 5 GGBERN COCc1nc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)co1 ZINC000575954224 566301026 /nfs/dbraw/zinc/30/10/26/566301026.db2.gz HPAKKBDJXQTTLR-UHFFFAOYSA-N 0 0 395.169 3.133 10 5 GGBERN CO[C@H](CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(F)(F)F ZINC000556440293 566302130 /nfs/dbraw/zinc/30/21/30/566302130.db2.gz XDFDWDBHCYMSHY-LLVKDONJSA-N 0 0 399.163 3.363 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ncn(-c2ccccc2)n1 ZINC000556469419 566304516 /nfs/dbraw/zinc/30/45/16/566304516.db2.gz XUZSLBPVLXQPLI-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CC12CCSCC2 ZINC000420706410 566304599 /nfs/dbraw/zinc/30/45/99/566304599.db2.gz LCIKQBXQRYKWHF-SNVBAGLBSA-N 0 0 376.887 3.060 10 5 GGBERN CC(=O)Nc1ccc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000556469573 566305043 /nfs/dbraw/zinc/30/50/43/566305043.db2.gz XIADTBISFMGACZ-UHFFFAOYSA-N 0 0 392.209 3.497 10 5 GGBERN C[C@]12CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000599963992 566305836 /nfs/dbraw/zinc/30/58/36/566305836.db2.gz KOXXZDIZINJPFV-MFKMUULPSA-N 0 0 375.169 3.475 10 5 GGBERN C[C@@]12CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000599963990 566305907 /nfs/dbraw/zinc/30/59/07/566305907.db2.gz KOXXZDIZINJPFV-GXFFZTMASA-N 0 0 375.169 3.475 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OC(F)F)C1 ZINC000556477372 566306789 /nfs/dbraw/zinc/30/67/89/566306789.db2.gz OWCFSPMSWRFUSK-VIFPVBQESA-N 0 0 379.157 3.119 10 5 GGBERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000445740123 566308620 /nfs/dbraw/zinc/30/86/20/566308620.db2.gz DCWGUJYDLNPMNT-HRDYMLBCSA-N 0 0 383.253 3.088 10 5 GGBERN CN(CCc1cccc([N+](=O)[O-])c1)c1cc(Br)cc(F)c1C(N)=O ZINC000509476098 566309463 /nfs/dbraw/zinc/30/94/63/566309463.db2.gz OKTUGKRLYQMXJB-UHFFFAOYSA-N 0 0 396.216 3.274 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nc(C(F)(F)F)no1 ZINC000600032053 566310567 /nfs/dbraw/zinc/31/05/67/566310567.db2.gz RJICZCJNVSESJC-LURJTMIESA-N 0 0 378.694 3.449 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)c1nc(C(F)(F)F)no1 ZINC000600032054 566311139 /nfs/dbraw/zinc/31/11/39/566311139.db2.gz RJICZCJNVSESJC-ZCFIWIBFSA-N 0 0 378.694 3.449 10 5 GGBERN Cc1nc(C)c(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000462497786 566313040 /nfs/dbraw/zinc/31/30/40/566313040.db2.gz ZZVVGSWYNPFRBP-UHFFFAOYSA-N 0 0 375.859 3.108 10 5 GGBERN COCC1(C2CCC2)CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600095071 566313732 /nfs/dbraw/zinc/31/37/32/566313732.db2.gz INMXYDJCDKDAHM-UHFFFAOYSA-N 0 0 383.242 3.246 10 5 GGBERN COC(=O)c1cncc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000576125990 566317536 /nfs/dbraw/zinc/31/75/36/566317536.db2.gz BXSPYQVUIWMNCL-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000600119629 566318398 /nfs/dbraw/zinc/31/83/98/566318398.db2.gz QXYWAJKPBOEWJO-RMLUDKJBSA-N 0 0 393.184 3.242 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)NCC/C=C/c1ccc(Br)cc1 ZINC000600178954 566321222 /nfs/dbraw/zinc/32/12/22/566321222.db2.gz SDNQMDKETXQPPU-HNQUOIGGSA-N 0 0 393.241 3.164 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000600176226 566322045 /nfs/dbraw/zinc/32/20/45/566322045.db2.gz DNKZFXMXIHZFEQ-RQOWECAXSA-N 0 0 393.241 3.082 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC(=O)NCc1cccs1 ZINC000446056271 566325549 /nfs/dbraw/zinc/32/55/49/566325549.db2.gz XXCQZTRHEPEUNQ-UHFFFAOYSA-N 0 0 381.841 3.007 10 5 GGBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ccc(Br)c(F)c1 ZINC000482704853 566326697 /nfs/dbraw/zinc/32/66/97/566326697.db2.gz HVVIFNOKWZTWBN-UHFFFAOYSA-N 0 0 379.141 3.293 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Cc3ccc(F)cc3)CC2)s1 ZINC000509679052 566328101 /nfs/dbraw/zinc/32/81/01/566328101.db2.gz BMTKBNFKRDPPBU-UHFFFAOYSA-N 0 0 384.454 3.439 10 5 GGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600272257 566329985 /nfs/dbraw/zinc/32/99/85/566329985.db2.gz UHGKMOHVAMTPKC-KGLIPLIRSA-N 0 0 382.507 3.443 10 5 GGBERN CCc1cnc(CCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000462598874 566330668 /nfs/dbraw/zinc/33/06/68/566330668.db2.gz OWHQNIDWKIFFGZ-UHFFFAOYSA-N 0 0 389.886 3.097 10 5 GGBERN Cc1cn2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccc2n1 ZINC000446148839 566331686 /nfs/dbraw/zinc/33/16/86/566331686.db2.gz GVUSWWMSTZJJEZ-UHFFFAOYSA-N 0 0 389.209 3.495 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)Sc1ccccc1 ZINC000462607623 566332088 /nfs/dbraw/zinc/33/20/88/566332088.db2.gz QURXERUZLFVYKU-GFCCVEGCSA-N 0 0 382.463 3.063 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2ncc[nH]2)CC1 ZINC000446127871 566332765 /nfs/dbraw/zinc/33/27/65/566332765.db2.gz UAVUEEXYQALOKP-UHFFFAOYSA-N 0 0 393.241 3.029 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(=O)CC(C)(C)C1 ZINC000600305869 566332802 /nfs/dbraw/zinc/33/28/02/566332802.db2.gz XNAWCHXRUSDRKR-UHFFFAOYSA-N 0 0 383.242 3.497 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC(=O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000600305153 566332808 /nfs/dbraw/zinc/33/28/08/566332808.db2.gz NUUAZPLFCNXYEC-UHFFFAOYSA-N 0 0 383.242 3.497 10 5 GGBERN COc1ncc(Br)cc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000600348407 566333990 /nfs/dbraw/zinc/33/39/90/566333990.db2.gz ZIMLMJYJLPANAU-UHFFFAOYSA-N 0 0 394.225 3.010 10 5 GGBERN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(C)nn(C)c1C ZINC000462614708 566334068 /nfs/dbraw/zinc/33/40/68/566334068.db2.gz KLHUZHCTSGXPBD-CYBMUJFWSA-N 0 0 386.861 3.028 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC(Cc2ccco2)C1 ZINC000600369796 566335350 /nfs/dbraw/zinc/33/53/50/566335350.db2.gz CSCBWCKYNZNHSP-UHFFFAOYSA-N 0 0 379.210 3.194 10 5 GGBERN COC(=O)c1ccc(Br)cc1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000509768887 566335978 /nfs/dbraw/zinc/33/59/78/566335978.db2.gz ZIASNMWYSYYTQH-UHFFFAOYSA-N 0 0 396.193 3.215 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)n1 ZINC000462648422 566336488 /nfs/dbraw/zinc/33/64/88/566336488.db2.gz YMHJKZXKJARDGZ-AULYBMBSSA-N 0 0 393.241 3.250 10 5 GGBERN Cc1ccc([C@@H](C)NC(=O)c2cc[nH]c(=O)c2Br)cc1[N+](=O)[O-] ZINC000446248527 566338072 /nfs/dbraw/zinc/33/80/72/566338072.db2.gz OFMNXNGWNMBUAJ-SECBINFHSA-N 0 0 380.198 3.257 10 5 GGBERN CC[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000446298763 566341347 /nfs/dbraw/zinc/34/13/47/566341347.db2.gz CTDQVBVLOTWUFH-GFCCVEGCSA-N 0 0 375.803 3.358 10 5 GGBERN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000600507707 566341769 /nfs/dbraw/zinc/34/17/69/566341769.db2.gz FLUKTIUSWUTEJT-CQSZACIVSA-N 0 0 393.241 3.226 10 5 GGBERN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000600521104 566342817 /nfs/dbraw/zinc/34/28/17/566342817.db2.gz MXTCSWNVFITQQU-YUMQZZPRSA-N 0 0 384.152 3.492 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000446351666 566344108 /nfs/dbraw/zinc/34/41/08/566344108.db2.gz ZAODAGZCCNRWPI-UHFFFAOYSA-N 0 0 399.266 3.362 10 5 GGBERN Cc1c(Br)c(=O)n(Cc2ccccc2OC2CC2)cc1[N+](=O)[O-] ZINC000600533071 566344864 /nfs/dbraw/zinc/34/48/64/566344864.db2.gz JMNXBOZGBVDGFK-UHFFFAOYSA-N 0 0 379.210 3.417 10 5 GGBERN O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000600529705 566344885 /nfs/dbraw/zinc/34/48/85/566344885.db2.gz XZRRMSIACHIMMN-WDEREUQCSA-N 0 0 379.356 3.306 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](CCO)CC1 ZINC000421110980 566345362 /nfs/dbraw/zinc/34/53/62/566345362.db2.gz PEMOJWRWQVGFCR-LLVKDONJSA-N 0 0 386.246 3.374 10 5 GGBERN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600593589 566348618 /nfs/dbraw/zinc/34/86/18/566348618.db2.gz YGBVRCZIINRKGR-KOLCDFICSA-N 0 0 379.214 3.099 10 5 GGBERN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600590348 566349245 /nfs/dbraw/zinc/34/92/45/566349245.db2.gz JXYGEMIJBCTMKG-ZYHUDNBSSA-N 0 0 393.241 3.109 10 5 GGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000462759233 566349546 /nfs/dbraw/zinc/34/95/46/566349546.db2.gz HOIMRXVLMUTWGK-LLVKDONJSA-N 0 0 394.225 3.253 10 5 GGBERN COC(=O)c1ccsc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000483019364 566352306 /nfs/dbraw/zinc/35/23/06/566352306.db2.gz FQZSYTDJVLMNKD-UHFFFAOYSA-N 0 0 382.419 3.426 10 5 GGBERN Cc1cc2c(cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)OCO2 ZINC000510118545 566365416 /nfs/dbraw/zinc/36/54/16/566365416.db2.gz UIPIICUAHQRPNK-UHFFFAOYSA-N 0 0 384.797 3.395 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(F)c(F)cc1Br ZINC000557141886 566366898 /nfs/dbraw/zinc/36/68/98/566366898.db2.gz NFQCAUPMTQZDPS-UHFFFAOYSA-N 0 0 386.152 3.269 10 5 GGBERN C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000557155836 566368707 /nfs/dbraw/zinc/36/87/07/566368707.db2.gz DQFGUSIHFVELQL-VIFPVBQESA-N 0 0 386.246 3.237 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCCCC2)c(Br)c1 ZINC000446967234 566374439 /nfs/dbraw/zinc/37/44/39/566374439.db2.gz RNGAXPOAWOPXOH-UHFFFAOYSA-N 0 0 377.260 3.216 10 5 GGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Cc1ccccc1 ZINC000536455144 566374964 /nfs/dbraw/zinc/37/49/64/566374964.db2.gz OOXQIQWNDJXSHK-LLVKDONJSA-N 0 0 391.221 3.287 10 5 GGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000536469545 566375602 /nfs/dbraw/zinc/37/56/02/566375602.db2.gz URASPMCVAPCLMN-GFCCVEGCSA-N 0 0 385.239 3.191 10 5 GGBERN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC)c(OC)c1 ZINC000510370072 566378428 /nfs/dbraw/zinc/37/84/28/566378428.db2.gz UXCUBDDUFPQHPE-NSHDSACASA-N 0 0 386.451 3.103 10 5 GGBERN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC)c(OC)c1 ZINC000510370071 566378456 /nfs/dbraw/zinc/37/84/56/566378456.db2.gz UXCUBDDUFPQHPE-LLVKDONJSA-N 0 0 386.451 3.103 10 5 GGBERN CO[C@@H](C)CN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447040785 566381068 /nfs/dbraw/zinc/38/10/68/566381068.db2.gz TXAVEVDAJKWGEG-JTQLQIEISA-N 0 0 384.376 3.048 10 5 GGBERN CC(C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000447043360 566381711 /nfs/dbraw/zinc/38/17/11/566381711.db2.gz ZANUYXGNELPQQP-SNVBAGLBSA-N 0 0 377.260 3.024 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000510448520 566383452 /nfs/dbraw/zinc/38/34/52/566383452.db2.gz UVXADCRBHSCKNU-AWEZNQCLSA-N 0 0 384.845 3.196 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000510441339 566383481 /nfs/dbraw/zinc/38/34/81/566383481.db2.gz GIROICQDQHRLRP-FZMZJTMJSA-N 0 0 383.242 3.307 10 5 GGBERN Cc1nc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)cs1 ZINC000536570472 566385070 /nfs/dbraw/zinc/38/50/70/566385070.db2.gz PHIHYNMWOFVAPP-UHFFFAOYSA-N 0 0 389.174 3.217 10 5 GGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Sc1nnc(-c2cccs2)n1C ZINC000601101353 566390624 /nfs/dbraw/zinc/39/06/24/566390624.db2.gz PHUDDRMHWPNXGB-UHFFFAOYSA-N 0 0 390.372 3.355 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000447151823 566390899 /nfs/dbraw/zinc/39/08/99/566390899.db2.gz ANKUEBBAJIZBOX-UHFFFAOYSA-N 0 0 384.454 3.384 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(F)cc(Br)c2)n1 ZINC000557502620 566390979 /nfs/dbraw/zinc/39/09/79/566390979.db2.gz VJEOVVAQLLNUGG-UHFFFAOYSA-N 0 0 384.161 3.290 10 5 GGBERN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](c2ccsc2)O1 ZINC000601129612 566391767 /nfs/dbraw/zinc/39/17/67/566391767.db2.gz KXMGMBZXRNZFSF-PSASIEDQSA-N 0 0 376.360 3.375 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000447163600 566392119 /nfs/dbraw/zinc/39/21/19/566392119.db2.gz UBJOERFVRVGHGO-LLVKDONJSA-N 0 0 391.287 3.332 10 5 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/nfs/dbraw/zinc/39/96/43/566399643.db2.gz HRGBYZUKGLHZOF-VIFPVBQESA-N 0 0 375.497 3.420 10 5 GGBERN Cc1cc(S(=O)(=O)N(C)Cc2nc3c(s2)CCCC3)c([N+](=O)[O-])s1 ZINC000601363453 566402074 /nfs/dbraw/zinc/40/20/74/566402074.db2.gz PWTVXVCWOWVQDY-UHFFFAOYSA-N 0 0 387.508 3.121 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601386132 566403627 /nfs/dbraw/zinc/40/36/27/566403627.db2.gz XDXPDSOSTPXLDP-HIFRSBDPSA-N 0 0 382.463 3.021 10 5 GGBERN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)C[C@@H]2CCC2(F)F)cc1 ZINC000601383335 566403673 /nfs/dbraw/zinc/40/36/73/566403673.db2.gz PIWFRZODBNTFKN-WCQYABFASA-N 0 0 378.422 3.017 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000601393246 566404192 /nfs/dbraw/zinc/40/41/92/566404192.db2.gz DNMORMKQBPCSKX-UONOGXRCSA-N 0 0 382.463 3.163 10 5 GGBERN Cc1cn2cc(CC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])nc2s1 ZINC000601414323 566405074 /nfs/dbraw/zinc/40/50/74/566405074.db2.gz VXDNMLPMXFALSV-UHFFFAOYSA-N 0 0 378.841 3.167 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)c([N+](=O)[O-])s1 ZINC000601452740 566406937 /nfs/dbraw/zinc/40/69/37/566406937.db2.gz BEMXBJVWDZAWID-UHFFFAOYSA-N 0 0 388.364 3.020 10 5 GGBERN Cc1ccnc([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000601459310 566408243 /nfs/dbraw/zinc/40/82/43/566408243.db2.gz AEUDQQRVJZJUCH-GFCCVEGCSA-N 0 0 381.841 3.130 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC3(CCSCC3)CC2)c([N+](=O)[O-])s1 ZINC000601495890 566409658 /nfs/dbraw/zinc/40/96/58/566409658.db2.gz GOPQOVPCKVLHLB-UHFFFAOYSA-N 0 0 376.525 3.263 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CCF)CC2)c(C(F)(F)F)c1 ZINC000601498082 566409769 /nfs/dbraw/zinc/40/97/69/566409769.db2.gz OKPWSKQHEVXNJK-UHFFFAOYSA-N 0 0 384.351 3.374 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(Cc2nccs2)CC1 ZINC000601497195 566409991 /nfs/dbraw/zinc/40/99/91/566409991.db2.gz PQGRXKDOARIEAQ-UHFFFAOYSA-N 0 0 381.479 3.003 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)n1 ZINC000577202489 566414150 /nfs/dbraw/zinc/41/41/50/566414150.db2.gz ATSYHGKCDQOKGP-CQSZACIVSA-N 0 0 393.241 3.144 10 5 GGBERN Cc1nn(CCC(=O)NCc2ccsc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000601687285 566417367 /nfs/dbraw/zinc/41/73/67/566417367.db2.gz AEVGAEIOJWKMKL-UHFFFAOYSA-N 0 0 376.360 3.195 10 5 GGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000601689720 566418040 /nfs/dbraw/zinc/41/80/40/566418040.db2.gz WJTSSTGOBLKWRB-UHFFFAOYSA-N 0 0 382.270 3.282 10 5 GGBERN O=C(N[C@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1I ZINC000601701831 566418499 /nfs/dbraw/zinc/41/84/99/566418499.db2.gz ABMNJWSCGPKDBJ-LBPRGKRZSA-N 0 0 386.189 3.262 10 5 GGBERN CN(CC(=O)NCCc1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC000463579153 566419828 /nfs/dbraw/zinc/41/98/28/566419828.db2.gz QXKNOIVZACPCIZ-UHFFFAOYSA-N 0 0 392.253 3.152 10 5 GGBERN CCCc1[nH]nc(C(=O)N2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC000421970086 566420830 /nfs/dbraw/zinc/42/08/30/566420830.db2.gz PUHCDZKXJWPBQS-UHFFFAOYSA-N 0 0 379.214 3.236 10 5 GGBERN O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc([N+](=O)[O-])cc1I ZINC000601777583 566423269 /nfs/dbraw/zinc/42/32/69/566423269.db2.gz TZNQBBIAAIYSEI-XPTSAGLGSA-N 0 0 386.189 3.262 10 5 GGBERN C[C@H](CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])[S@@](C)=O ZINC000447688256 566423334 /nfs/dbraw/zinc/42/33/34/566423334.db2.gz LCPJSIINVUXHQZ-JHNRLJBESA-N 0 0 375.319 3.213 10 5 GGBERN CC(C)Oc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)ccc1Br ZINC000601775676 566423464 /nfs/dbraw/zinc/42/34/64/566423464.db2.gz OHRIPBBISVWYRO-UHFFFAOYSA-N 0 0 383.202 3.130 10 5 GGBERN Cc1nn(C)c(C(=O)Nc2ccc(Br)c(OC(C)C)c2)c1[N+](=O)[O-] ZINC000601769937 566423474 /nfs/dbraw/zinc/42/34/74/566423474.db2.gz CJVWXSHOLXSETC-UHFFFAOYSA-N 0 0 397.229 3.439 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H](CO)c3cccc(Br)c3)nc2c1 ZINC000447686428 566423588 /nfs/dbraw/zinc/42/35/88/566423588.db2.gz FKSSSDXYEWGALF-AWEZNQCLSA-N 0 0 377.198 3.379 10 5 GGBERN C[C@](CO)(NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000601779309 566423826 /nfs/dbraw/zinc/42/38/26/566423826.db2.gz PJAXARPXJVPJSK-PBFPGSCMSA-N 0 0 380.853 3.437 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCO[C@@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000601806545 566426707 /nfs/dbraw/zinc/42/67/07/566426707.db2.gz ZBCGWLXMOJBSPN-GFCCVEGCSA-N 0 0 393.184 3.162 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cnn2c1CCCC2 ZINC000601829392 566428371 /nfs/dbraw/zinc/42/83/71/566428371.db2.gz GYFYPIURXUYPLP-UHFFFAOYSA-N 0 0 379.214 3.451 10 5 GGBERN CCOC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000447858382 566439550 /nfs/dbraw/zinc/43/95/50/566439550.db2.gz KKPGKVIKAXJHMN-UHFFFAOYSA-N 0 0 399.241 3.353 10 5 GGBERN CCc1cnc(CCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000464142031 566448684 /nfs/dbraw/zinc/44/86/84/566448684.db2.gz ZBMBUAWWMFPUPX-SNVBAGLBSA-N 0 0 383.857 3.393 10 5 GGBERN O=C(COc1cc(Cl)ccc1Cl)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000537577986 566453927 /nfs/dbraw/zinc/45/39/27/566453927.db2.gz CSYIHKKGBUFROS-UHFFFAOYSA-N 0 0 382.203 3.260 10 5 GGBERN CC(C)(C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)n1cc([N+](=O)[O-])cn1 ZINC000464298822 566462500 /nfs/dbraw/zinc/46/25/00/566462500.db2.gz DOPCOBVKUSEYNF-LLVKDONJSA-N 0 0 385.207 3.083 10 5 GGBERN CC(C)(C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)n1cc([N+](=O)[O-])cn1 ZINC000464298826 566463092 /nfs/dbraw/zinc/46/30/92/566463092.db2.gz DOPCOBVKUSEYNF-NSHDSACASA-N 0 0 385.207 3.083 10 5 GGBERN CCCc1n[nH]c(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)c1[N+](=O)[O-] ZINC000464300305 566463344 /nfs/dbraw/zinc/46/33/44/566463344.db2.gz ZEASIJBQKWWYBG-JTQLQIEISA-N 0 0 385.207 3.441 10 5 GGBERN Nc1c(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc(F)cc1[N+](=O)[O-] ZINC000464307360 566463951 /nfs/dbraw/zinc/46/39/51/566463951.db2.gz VVZRNOUUTWBFIE-SNVBAGLBSA-N 0 0 386.166 3.486 10 5 GGBERN Nc1c(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc(F)cc1[N+](=O)[O-] ZINC000464307359 566464296 /nfs/dbraw/zinc/46/42/96/566464296.db2.gz VVZRNOUUTWBFIE-JTQLQIEISA-N 0 0 386.166 3.486 10 5 GGBERN Cc1cc(F)cc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000577777719 566464589 /nfs/dbraw/zinc/46/45/89/566464589.db2.gz AIBLLSIBYZZYQF-UHFFFAOYSA-N 0 0 396.172 3.382 10 5 GGBERN C[C@@](CO)(NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000511588703 566475707 /nfs/dbraw/zinc/47/57/07/566475707.db2.gz QIUSWHAXEHKUMA-INIZCTEOSA-N 0 0 383.217 3.494 10 5 GGBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(Br)cc2ccccc21 ZINC000464445967 566476760 /nfs/dbraw/zinc/47/67/60/566476760.db2.gz ILVVRBSSKQJFMI-UHFFFAOYSA-N 0 0 375.182 3.496 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(NCCc2ccsc2)c([N+](=O)[O-])c1 ZINC000511614589 566477606 /nfs/dbraw/zinc/47/76/06/566477606.db2.gz SQDLRNOWFSXNCI-UHFFFAOYSA-N 0 0 383.495 3.341 10 5 GGBERN COCCOc1cccc(CNc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000485193019 566480690 /nfs/dbraw/zinc/48/06/90/566480690.db2.gz FVLJKEKHMNTSQU-UHFFFAOYSA-N 0 0 382.214 3.390 10 5 GGBERN COC[C@](C)(NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000464504624 566481025 /nfs/dbraw/zinc/48/10/25/566481025.db2.gz KBXBUFOQOJKHON-OQPBUACISA-N 0 0 384.738 3.099 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCOc1cccc(Br)c1 ZINC000511680305 566481707 /nfs/dbraw/zinc/48/17/07/566481707.db2.gz KWJCYTSIQCCAAU-UHFFFAOYSA-N 0 0 379.210 3.475 10 5 GGBERN O=[N+]([O-])c1cnc(NCc2nccn2CC(F)(F)F)c(Br)c1 ZINC000485204106 566482814 /nfs/dbraw/zinc/48/28/14/566482814.db2.gz JUHRZJVNEXNWGZ-UHFFFAOYSA-N 0 0 380.124 3.123 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000464555734 566485423 /nfs/dbraw/zinc/48/54/23/566485423.db2.gz PGZYJKIOLUQXAK-UHFFFAOYSA-N 0 0 376.170 3.189 10 5 GGBERN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000538041131 566489167 /nfs/dbraw/zinc/48/91/67/566489167.db2.gz VXLXAIOAZFDWHC-ZUZCIYMTSA-N 0 0 394.225 3.258 10 5 GGBERN Cn1cc([N+](=O)[O-])c(-c2nc(C(C)(C)c3ccccc3Br)no2)n1 ZINC000578103111 566490835 /nfs/dbraw/zinc/49/08/35/566490835.db2.gz NKXQFVABYCBNBS-UHFFFAOYSA-N 0 0 392.213 3.467 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000464664570 566496159 /nfs/dbraw/zinc/49/61/59/566496159.db2.gz BBRDMOWKCPXOPC-SNVBAGLBSA-N 0 0 394.225 3.258 10 5 GGBERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485433035 566497191 /nfs/dbraw/zinc/49/71/91/566497191.db2.gz PRBCPTDZTJGFRL-TYWRASTISA-N 0 0 396.241 3.244 10 5 GGBERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485433033 566497680 /nfs/dbraw/zinc/49/76/80/566497680.db2.gz PRBCPTDZTJGFRL-LRQZZLGCSA-N 0 0 396.241 3.244 10 5 GGBERN Cc1noc([C@@H]2CCCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000485475104 566501137 /nfs/dbraw/zinc/50/11/37/566501137.db2.gz NDCVUWMAOGONKY-LBPRGKRZSA-N 0 0 396.201 3.418 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(Cl)cc(Br)c32)n1 ZINC000558794803 566506846 /nfs/dbraw/zinc/50/68/46/566506846.db2.gz WNTVDVRJNKXVJU-UHFFFAOYSA-N 0 0 399.632 3.430 10 5 GGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCc1ccccc1Br ZINC000558793682 566507317 /nfs/dbraw/zinc/50/73/17/566507317.db2.gz BTZSJDRIKJGTMA-UHFFFAOYSA-N 0 0 392.253 3.442 10 5 GGBERN O=C1CN(C2CCCC2)C(=O)N1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000424091372 566511556 /nfs/dbraw/zinc/51/15/56/566511556.db2.gz MOGWGALSEBIHLE-UHFFFAOYSA-N 0 0 382.214 3.064 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1CC(F)F ZINC000485603805 566512942 /nfs/dbraw/zinc/51/29/42/566512942.db2.gz WPDGJBNAESUVQG-NSHDSACASA-N 0 0 394.172 3.245 10 5 GGBERN C[C@@H]1CCCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000512142472 566515043 /nfs/dbraw/zinc/51/50/43/566515043.db2.gz LBJRUVAFDVFZMT-SNVBAGLBSA-N 0 0 377.260 3.311 10 5 GGBERN CC[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000485666174 566517273 /nfs/dbraw/zinc/51/72/73/566517273.db2.gz FARXGKHWAAJSHS-NSHDSACASA-N 0 0 385.193 3.111 10 5 GGBERN CSc1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000485768855 566524137 /nfs/dbraw/zinc/52/41/37/566524137.db2.gz JVQJCYNYSVNZOQ-OLZOCXBDSA-N 0 0 382.507 3.443 10 5 GGBERN CSc1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000485769123 566526556 /nfs/dbraw/zinc/52/65/56/566526556.db2.gz JVQJCYNYSVNZOQ-QWHCGFSZSA-N 0 0 382.507 3.443 10 5 GGBERN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000538693162 566527673 /nfs/dbraw/zinc/52/76/73/566527673.db2.gz AGKGDRIVEKTVNG-JTQLQIEISA-N 0 0 381.219 3.305 10 5 GGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)c2sccc2C)cc1SC ZINC000538701706 566528749 /nfs/dbraw/zinc/52/87/49/566528749.db2.gz WHSPTSGXMHKPMX-LLVKDONJSA-N 0 0 382.463 3.159 10 5 GGBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)c2sccc2C)cc1SC ZINC000538701707 566529064 /nfs/dbraw/zinc/52/90/64/566529064.db2.gz WHSPTSGXMHKPMX-NSHDSACASA-N 0 0 382.463 3.159 10 5 GGBERN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000538719908 566529745 /nfs/dbraw/zinc/52/97/45/566529745.db2.gz QZGQTLBPYUMTLX-CYBMUJFWSA-N 0 0 380.491 3.190 10 5 GGBERN NC(=O)c1c(F)cc(Br)cc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000538742266 566532023 /nfs/dbraw/zinc/53/20/23/566532023.db2.gz BOABWZZDTCRHHJ-UHFFFAOYSA-N 0 0 382.189 3.250 10 5 GGBERN CSc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000603572213 566534454 /nfs/dbraw/zinc/53/44/54/566534454.db2.gz RGLJQKSNIFNUQL-KBPBESRZSA-N 0 0 382.507 3.443 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2OC(F)(F)F)s1 ZINC000465496790 566534625 /nfs/dbraw/zinc/53/46/25/566534625.db2.gz VMWXCUMNCNPAOB-UHFFFAOYSA-N 0 0 396.368 3.076 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(C)cc1SC ZINC000465501041 566534819 /nfs/dbraw/zinc/53/48/19/566534819.db2.gz HQPPRYHJBMRQIZ-UHFFFAOYSA-N 0 0 382.463 3.112 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cc(F)cc(Br)c3)no2)n1 ZINC000578614119 566538770 /nfs/dbraw/zinc/53/87/70/566538770.db2.gz JTFBRDQSCCLTLP-UHFFFAOYSA-N 0 0 382.149 3.430 10 5 GGBERN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000603751364 566538956 /nfs/dbraw/zinc/53/89/56/566538956.db2.gz ODVBNQWTCLYVAV-UHFFFAOYSA-N 0 0 383.813 3.029 10 5 GGBERN C[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000485937874 566541255 /nfs/dbraw/zinc/54/12/55/566541255.db2.gz DOXYMCIGIRPOJT-SNVBAGLBSA-N 0 0 377.260 3.311 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2ncsc2c1 ZINC000485943893 566541748 /nfs/dbraw/zinc/54/17/48/566541748.db2.gz VSUJCEUDSQPGGV-SECBINFHSA-N 0 0 381.410 3.383 10 5 GGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000538891475 566545397 /nfs/dbraw/zinc/54/53/97/566545397.db2.gz VRPBVGKCCJNIKO-GFCCVEGCSA-N 0 0 385.239 3.191 10 5 GGBERN Cn1c(=O)ccc2ccc(Nc3ncc([N+](=O)[O-])cc3Br)cc21 ZINC000486007507 566548531 /nfs/dbraw/zinc/54/85/31/566548531.db2.gz SZAGRIGTABKEOL-UHFFFAOYSA-N 0 0 375.182 3.348 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)n1 ZINC000539017641 566553107 /nfs/dbraw/zinc/55/31/07/566553107.db2.gz QWVCBQYIOLOATD-UHFFFAOYSA-N 0 0 381.776 3.497 10 5 GGBERN COc1cc(CSCc2cc(=O)n3c(C)csc3n2)ccc1[N+](=O)[O-] ZINC000486121806 566560618 /nfs/dbraw/zinc/56/06/18/566560618.db2.gz CJFWYUHOTLXETO-UHFFFAOYSA-N 0 0 377.447 3.415 10 5 GGBERN Nc1c(C(=O)N[C@@H]2CCc3cc(Br)ccc32)cc(F)cc1[N+](=O)[O-] ZINC000604344825 566560992 /nfs/dbraw/zinc/56/09/92/566560992.db2.gz ZGMGMOOLIMNXJS-CYBMUJFWSA-N 0 0 394.200 3.496 10 5 GGBERN CNC(=O)c1cc(Br)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000486151316 566563321 /nfs/dbraw/zinc/56/33/21/566563321.db2.gz ZZLUIUQPZNHBAR-UHFFFAOYSA-N 0 0 394.225 3.338 10 5 GGBERN CN(C)c1ncccc1N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486161731 566564844 /nfs/dbraw/zinc/56/48/44/566564844.db2.gz ANYASRPVYRMYAV-UHFFFAOYSA-N 0 0 385.243 3.156 10 5 GGBERN Cc1csc([C@H]2CCCCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000604551153 566570608 /nfs/dbraw/zinc/57/06/08/566570608.db2.gz AXZMQCWOUNEFPT-CQSZACIVSA-N 0 0 381.479 3.495 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(NCc2nc(CC(F)(F)F)no2)c1 ZINC000559945472 566577806 /nfs/dbraw/zinc/57/78/06/566577806.db2.gz ZFUPKOYMXWQALK-UHFFFAOYSA-N 0 0 381.108 3.457 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000539385291 566578478 /nfs/dbraw/zinc/57/84/78/566578478.db2.gz RDJSQHBPBAMXLX-HNNXBMFYSA-N 0 0 382.825 3.440 10 5 GGBERN COc1ncc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Br ZINC000424841004 566578627 /nfs/dbraw/zinc/57/86/27/566578627.db2.gz QLMUSRSUCMWVJD-UHFFFAOYSA-N 0 0 394.225 3.076 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000486369714 566581654 /nfs/dbraw/zinc/58/16/54/566581654.db2.gz SJVPTIKXBBJSJC-UHFFFAOYSA-N 0 0 379.766 3.313 10 5 GGBERN COC(=O)c1cnc([C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000424973321 566591940 /nfs/dbraw/zinc/59/19/40/566591940.db2.gz DKJCUBPLBDFUQA-QMMMGPOBSA-N 0 0 383.813 3.291 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(Br)c2F)cc1 ZINC000486570875 566599322 /nfs/dbraw/zinc/59/93/22/566599322.db2.gz AWYCYDFLBDZCJC-UHFFFAOYSA-N 0 0 393.165 3.436 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000560129924 566600965 /nfs/dbraw/zinc/60/09/65/566600965.db2.gz JCQVBQATIPJNMJ-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN COc1cc2c(cc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)OCO2 ZINC000560132389 566601063 /nfs/dbraw/zinc/60/10/63/566601063.db2.gz UHQZVZBFFAJTCK-UHFFFAOYSA-N 0 0 395.165 3.347 10 5 GGBERN NC(=O)Nc1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000560130073 566601703 /nfs/dbraw/zinc/60/17/03/566601703.db2.gz MHCQSELFRZJHRH-UHFFFAOYSA-N 0 0 379.170 3.100 10 5 GGBERN O=C(Cc1ccc2c(c1)OCCO2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560128946 566601735 /nfs/dbraw/zinc/60/17/35/566601735.db2.gz BBGYCOCKYXNPSA-UHFFFAOYSA-N 0 0 393.193 3.310 10 5 GGBERN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ncc(Br)cn1 ZINC000486605162 566603939 /nfs/dbraw/zinc/60/39/39/566603939.db2.gz MNDHCERTZHOXFH-MRVPVSSYSA-N 0 0 399.632 3.221 10 5 GGBERN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000486616373 566603949 /nfs/dbraw/zinc/60/39/49/566603949.db2.gz CFNJEGZJBYPGQM-SECBINFHSA-N 0 0 397.254 3.117 10 5 GGBERN C[C@H](c1ccco1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560181848 566606165 /nfs/dbraw/zinc/60/61/65/566606165.db2.gz WEPXEKOSLKSMSZ-SECBINFHSA-N 0 0 396.197 3.108 10 5 GGBERN C[C@@H](c1ccco1)N(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560181849 566606579 /nfs/dbraw/zinc/60/65/79/566606579.db2.gz WEPXEKOSLKSMSZ-VIFPVBQESA-N 0 0 396.197 3.108 10 5 GGBERN CN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000560182998 566606795 /nfs/dbraw/zinc/60/67/95/566606795.db2.gz JLDPNEIBJSHPRY-UHFFFAOYSA-N 0 0 384.230 3.087 10 5 GGBERN C[C@@](CO)(NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000513521352 566606952 /nfs/dbraw/zinc/60/69/52/566606952.db2.gz RPRMJMLYALVHEJ-INIZCTEOSA-N 0 0 394.225 3.387 10 5 GGBERN C[C@@](CO)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000513543081 566608920 /nfs/dbraw/zinc/60/89/20/566608920.db2.gz OIPMHQPJCVXEPI-INIZCTEOSA-N 0 0 394.225 3.387 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000486677028 566611149 /nfs/dbraw/zinc/61/11/49/566611149.db2.gz ODANNDWLXWGTSF-UHFFFAOYSA-N 0 0 388.779 3.273 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000467042384 566620108 /nfs/dbraw/zinc/62/01/08/566620108.db2.gz CFACTQWYNFLWHR-XJKSGUPXSA-N 0 0 382.463 3.021 10 5 GGBERN Cc1sc(S(=O)(=O)NC[C@H](C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000467073928 566624109 /nfs/dbraw/zinc/62/41/09/566624109.db2.gz SIXIEQKMAOTJSC-QMMMGPOBSA-N 0 0 376.406 3.325 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000467077314 566624391 /nfs/dbraw/zinc/62/43/91/566624391.db2.gz BCGLUZLZQJHITN-IEVXNVSRSA-N 0 0 382.463 3.196 10 5 GGBERN C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1cccc(Br)c1 ZINC000486824801 566625294 /nfs/dbraw/zinc/62/52/94/566625294.db2.gz MLEZCEGWRKPAIT-LLVKDONJSA-N 0 0 390.237 3.441 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H](O)CCc1ccccc1 ZINC000579624733 566625940 /nfs/dbraw/zinc/62/59/40/566625940.db2.gz CHOJHDVNJPIILO-OAHLLOKOSA-N 0 0 379.210 3.290 10 5 GGBERN Cc1cccc(Br)c1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000486855335 566629699 /nfs/dbraw/zinc/62/96/99/566629699.db2.gz LPPAJPRXTABKPY-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN O=C(Cc1ccc(F)cc1Br)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000486954423 566637645 /nfs/dbraw/zinc/63/76/45/566637645.db2.gz IJVWZMKAMKIXQI-UHFFFAOYSA-N 0 0 394.200 3.019 10 5 GGBERN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425403299 566638998 /nfs/dbraw/zinc/63/89/98/566638998.db2.gz UENRULATYVDLOX-CQSZACIVSA-N 0 0 384.274 3.190 10 5 GGBERN CCc1nc(C2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000425444606 566643112 /nfs/dbraw/zinc/64/31/12/566643112.db2.gz MHQNFICBEVNZSU-UHFFFAOYSA-N 0 0 394.273 3.417 10 5 GGBERN Cc1sc(S(=O)(=O)NCc2cc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000467399526 566643097 /nfs/dbraw/zinc/64/30/97/566643097.db2.gz GEMPSZLEJHQFQQ-UHFFFAOYSA-N 0 0 379.419 3.098 10 5 GGBERN CCNC(=O)C[C@H]1CCCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425445657 566644007 /nfs/dbraw/zinc/64/40/07/566644007.db2.gz PFVAOJXRNDVOOK-CQSZACIVSA-N 0 0 384.274 3.238 10 5 GGBERN CCC1(CC)CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000425434223 566644046 /nfs/dbraw/zinc/64/40/46/566644046.db2.gz PRGLLYPDHDZDIM-QFIPXVFZSA-N 0 0 389.315 3.480 10 5 GGBERN Cc1sc(S(=O)(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000467412084 566645407 /nfs/dbraw/zinc/64/54/07/566645407.db2.gz GRJOUTRXBNGUTN-NHYWBVRUSA-N 0 0 382.463 3.115 10 5 GGBERN Cc1sc(S(=O)(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467422841 566645964 /nfs/dbraw/zinc/64/59/64/566645964.db2.gz HOAKWGQSBUCUFM-IAQYHMDHSA-N 0 0 382.463 3.115 10 5 GGBERN C[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000540337621 566646735 /nfs/dbraw/zinc/64/67/35/566646735.db2.gz JQBUTSXISILDTM-BMIGLBTASA-N 0 0 378.226 3.235 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(C)cc2[N+](=O)[O-])nc1 ZINC000514197164 566646832 /nfs/dbraw/zinc/64/68/32/566646832.db2.gz KEDGXEGZUGHQEO-UHFFFAOYSA-N 0 0 381.479 3.480 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCC(Oc2cnccn2)CC1 ZINC000425471802 566647156 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CCc1cc(Br)cc2c1N(C(=O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000425610834 566659903 /nfs/dbraw/zinc/65/99/03/566659903.db2.gz QQKAXSGLPUHRIH-UHFFFAOYSA-N 0 0 393.241 3.096 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000425672982 566665585 /nfs/dbraw/zinc/66/55/85/566665585.db2.gz MEWUZTKOMMEFNU-XHDPSFHLSA-N 0 0 397.273 3.224 10 5 GGBERN C[C@]12CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]1C2(F)F ZINC000560934016 566667070 /nfs/dbraw/zinc/66/70/70/566667070.db2.gz TXZNMCOLBZABLU-OCCSQVGLSA-N 0 0 389.196 3.404 10 5 GGBERN O=[N+]([O-])c1cnn(CCNc2ncc(Br)cc2C(F)(F)F)c1 ZINC000450394137 566667075 /nfs/dbraw/zinc/66/70/75/566667075.db2.gz PKIQIFNSOGQDFP-UHFFFAOYSA-N 0 0 380.124 3.080 10 5 GGBERN CC(C)COc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000561004108 566668541 /nfs/dbraw/zinc/66/85/41/566668541.db2.gz OSVVEHKJHPGXNS-UHFFFAOYSA-N 0 0 384.479 3.212 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCc2c(F)cc(Br)cc21 ZINC000540780498 566671824 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CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CSc3ccc(Br)cc32)n1 ZINC000489659610 566800684 /nfs/dbraw/zinc/80/06/84/566800684.db2.gz MBTYBBQWDQYVCD-SNVBAGLBSA-N 0 0 397.254 3.151 10 5 GGBERN Cc1cc(S(=O)(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c(C)s1 ZINC000610086636 566804515 /nfs/dbraw/zinc/80/45/15/566804515.db2.gz LBFUROWYRSVVDN-UHFFFAOYSA-N 0 0 383.495 3.362 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000517229596 566814453 /nfs/dbraw/zinc/81/44/53/566814453.db2.gz SPPSDMOHRRZCHU-GFCCVEGCSA-N 0 0 383.242 3.185 10 5 GGBERN C[C@H](Cc1cc(Br)ccc1F)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000428138366 566820113 /nfs/dbraw/zinc/82/01/13/566820113.db2.gz QHCCWWBYAFNGFW-SECBINFHSA-N 0 0 394.204 3.004 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)C2CCCC2)c(Cl)c1 ZINC000610266909 566820389 /nfs/dbraw/zinc/82/03/89/566820389.db2.gz PHIKQZHPVUAMAH-AWEZNQCLSA-N 0 0 388.873 3.361 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@H]2CCCO2)C2CCCC2)c(Cl)c1 ZINC000610266910 566820821 /nfs/dbraw/zinc/82/08/21/566820821.db2.gz PHIKQZHPVUAMAH-CQSZACIVSA-N 0 0 388.873 3.361 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)NCCCC2CC2)cc1[N+](=O)[O-] ZINC000610338689 566826971 /nfs/dbraw/zinc/82/69/71/566826971.db2.gz NRWUXMYLPRBRRF-UHFFFAOYSA-N 0 0 377.260 3.134 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000428273372 566829427 /nfs/dbraw/zinc/82/94/27/566829427.db2.gz ZZZCUIYRPHRPQQ-UHFFFAOYSA-N 0 0 397.229 3.142 10 5 GGBERN CO[C@@H](CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000469947091 566830007 /nfs/dbraw/zinc/83/00/07/566830007.db2.gz HVNPJSZVSXMIJM-LBPRGKRZSA-N 0 0 384.738 3.101 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N[C@H](C)C(C)(C)O)cc2[N+](=O)[O-])n1 ZINC000610430525 566831539 /nfs/dbraw/zinc/83/15/39/566831539.db2.gz WFQLNPIUNYPGFN-SNVBAGLBSA-N 0 0 381.479 3.400 10 5 GGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(I)ccc1O ZINC000610485700 566834657 /nfs/dbraw/zinc/83/46/57/566834657.db2.gz AEYKBWOKQHCUQZ-UHFFFAOYSA-N 0 0 398.156 3.086 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(I)ccc2O)c1 ZINC000610491084 566836915 /nfs/dbraw/zinc/83/69/15/566836915.db2.gz RCUWZPHGUNIJIM-UHFFFAOYSA-N 0 0 398.156 3.466 10 5 GGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(I)ccc1O ZINC000610491163 566837123 /nfs/dbraw/zinc/83/71/23/566837123.db2.gz VQAGHSTUEDEVRY-UHFFFAOYSA-N 0 0 398.156 3.086 10 5 GGBERN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccc(Cl)cc1 ZINC000428393223 566837942 /nfs/dbraw/zinc/83/79/42/566837942.db2.gz NDBVTSCIEQMVMB-VIFPVBQESA-N 0 0 376.843 3.056 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)CCC2)n1 ZINC000517646979 566837905 /nfs/dbraw/zinc/83/79/05/566837905.db2.gz GLVQCNPVBRZFEQ-UHFFFAOYSA-N 0 0 381.479 3.334 10 5 GGBERN O=c1cc[nH]c2cc(CNc3ncc(Br)cc3[N+](=O)[O-])ccc12 ZINC000470042777 566840997 /nfs/dbraw/zinc/84/09/97/566840997.db2.gz NXTUGGZTHIJUPF-UHFFFAOYSA-N 0 0 375.182 3.206 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CCC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000451594238 566846510 /nfs/dbraw/zinc/84/65/10/566846510.db2.gz BAHUWFJKRJXCEQ-ZDUSSCGKSA-N 0 0 395.250 3.178 10 5 GGBERN CCN(Cc1ccccc1Br)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000543065910 566848430 /nfs/dbraw/zinc/84/84/30/566848430.db2.gz BLLSRMXTAGYTIW-UHFFFAOYSA-N 0 0 376.214 3.427 10 5 GGBERN Cc1c(NC(=O)C2(CF)CCOCC2)cc(Br)cc1[N+](=O)[O-] ZINC000451619113 566852078 /nfs/dbraw/zinc/85/20/78/566852078.db2.gz XDCGIOIIHLEUFT-UHFFFAOYSA-N 0 0 375.194 3.371 10 5 GGBERN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccncc1 ZINC000610668518 566853000 /nfs/dbraw/zinc/85/30/00/566853000.db2.gz BVZFCIRPJMWLSO-LLVKDONJSA-N 0 0 378.226 3.215 10 5 GGBERN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000610715744 566855490 /nfs/dbraw/zinc/85/54/90/566855490.db2.gz CNADVRVAINZZAS-CQSZACIVSA-N 0 0 376.862 3.122 10 5 GGBERN COc1ccc(CSCC(=O)N2CC(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610745179 566859649 /nfs/dbraw/zinc/85/96/49/566859649.db2.gz ZAYOTMICNPATQA-UHFFFAOYSA-N 0 0 378.372 3.247 10 5 GGBERN CCc1cnc(N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)s1 ZINC000610770057 566861239 /nfs/dbraw/zinc/86/12/39/566861239.db2.gz UEARJXMCFRJLKJ-UHFFFAOYSA-N 0 0 398.286 3.098 10 5 GGBERN O=C(N[C@@H]1CCOc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000610771014 566861500 /nfs/dbraw/zinc/86/15/00/566861500.db2.gz ITUCMHHHQCORLT-GFCCVEGCSA-N 0 0 378.182 3.006 10 5 GGBERN CO[C@H](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000470321124 566863937 /nfs/dbraw/zinc/86/39/37/566863937.db2.gz QTSLYUXFIRKPSR-SNVBAGLBSA-N 0 0 385.136 3.055 10 5 GGBERN O=[N+]([O-])c1cnccc1N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000610808314 566867030 /nfs/dbraw/zinc/86/70/30/566867030.db2.gz NCXJZZQIDIHUSA-UHFFFAOYSA-N 0 0 395.232 3.214 10 5 GGBERN CO[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000470389943 566869751 /nfs/dbraw/zinc/86/97/51/566869751.db2.gz WFTMLHAZUKKADU-SNVBAGLBSA-N 0 0 385.136 3.055 10 5 GGBERN O=C(NCc1cc2cccnc2cc1Br)c1ccc([N+](=O)[O-])cn1 ZINC000610919245 566874359 /nfs/dbraw/zinc/87/43/59/566874359.db2.gz OAWYXOPXYJTBCM-UHFFFAOYSA-N 0 0 387.193 3.231 10 5 GGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000451774065 566878939 /nfs/dbraw/zinc/87/89/39/566878939.db2.gz DJCWLKPEAREMOC-WCQYABFASA-N 0 0 380.388 3.130 10 5 GGBERN Cc1c(Br)c(N[C@@H]2CCN(c3ccccc3)C2=O)ncc1[N+](=O)[O-] ZINC000543436127 566880921 /nfs/dbraw/zinc/88/09/21/566880921.db2.gz KQMNYNRGHNXPEL-GFCCVEGCSA-N 0 0 391.225 3.278 10 5 GGBERN C[C@H]1C[C@H](C(F)(F)F)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000451791327 566882700 /nfs/dbraw/zinc/88/27/00/566882700.db2.gz ZVXJQTJJQLCQNE-WCQYABFASA-N 0 0 380.388 3.130 10 5 GGBERN Cc1c(Br)c(N[C@H]2CCN(c3ccccc3)C2=O)ncc1[N+](=O)[O-] ZINC000543436133 566883024 /nfs/dbraw/zinc/88/30/24/566883024.db2.gz KQMNYNRGHNXPEL-LBPRGKRZSA-N 0 0 391.225 3.278 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccc(I)cc1)CC2 ZINC000543478138 566885429 /nfs/dbraw/zinc/88/54/29/566885429.db2.gz MSYBTFMVIOMVAP-UHFFFAOYSA-N 0 0 395.200 3.153 10 5 GGBERN COC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000451811557 566885859 /nfs/dbraw/zinc/88/58/59/566885859.db2.gz PKGWPGBDHKISSL-NSHDSACASA-N 0 0 390.870 3.018 10 5 GGBERN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2sccc2s1 ZINC000543511692 566888139 /nfs/dbraw/zinc/88/81/39/566888139.db2.gz BPARPGIQGSCARA-UHFFFAOYSA-N 0 0 396.471 3.075 10 5 GGBERN C[C@@H](Cc1cc(Br)ccc1F)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000611104550 566889973 /nfs/dbraw/zinc/88/99/73/566889973.db2.gz DJELMXYQZWEDOD-QMMMGPOBSA-N 0 0 397.204 3.033 10 5 GGBERN O=[N+]([O-])c1ccc(NCc2ccccc2CS(=O)(=O)N2CCCC2)s1 ZINC000611104167 566890101 /nfs/dbraw/zinc/89/01/01/566890101.db2.gz NCCJCMCSCXRVKV-UHFFFAOYSA-N 0 0 381.479 3.194 10 5 GGBERN Cc1nc(S(=O)(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)sc1C ZINC000451839780 566892660 /nfs/dbraw/zinc/89/26/60/566892660.db2.gz DMJLHRFEDZEDFY-AWEZNQCLSA-N 0 0 381.479 3.236 10 5 GGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000543676002 566899840 /nfs/dbraw/zinc/89/98/40/566899840.db2.gz ZMZKMCXUWVMPDW-HNNXBMFYSA-N 0 0 382.463 3.035 10 5 GGBERN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C1CC1 ZINC000611223120 566902149 /nfs/dbraw/zinc/90/21/49/566902149.db2.gz CVXNSXTYBFNFSV-CYBMUJFWSA-N 0 0 386.189 3.214 10 5 GGBERN COc1c(F)cc(S(=O)(=O)N2CCc3sccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000491285156 566902716 /nfs/dbraw/zinc/90/27/16/566902716.db2.gz SHMPRDOKNXHNNC-VIFPVBQESA-N 0 0 386.426 3.112 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCC2)n1 ZINC000470788510 566904687 /nfs/dbraw/zinc/90/46/87/566904687.db2.gz GOGLHVDUSAHUKJ-UHFFFAOYSA-N 0 0 387.870 3.371 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(c2cccnc2)CC1 ZINC000611257286 566905884 /nfs/dbraw/zinc/90/58/84/566905884.db2.gz ODAFTMSJBFBADG-UHFFFAOYSA-N 0 0 381.841 3.212 10 5 GGBERN Cc1cc(NC(=O)C(=O)c2ccc(Cl)s2)c2cc([N+](=O)[O-])ccc2n1 ZINC000429090904 566907694 /nfs/dbraw/zinc/90/76/94/566907694.db2.gz GKTMBEMIOYVCPB-UHFFFAOYSA-N 0 0 375.793 3.410 10 5 GGBERN COc1cc(Br)ccc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000470826265 566907804 /nfs/dbraw/zinc/90/78/04/566907804.db2.gz ISFUSLSWIXUVIH-VIFPVBQESA-N 0 0 394.225 3.439 10 5 GGBERN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000470833395 566907862 /nfs/dbraw/zinc/90/78/62/566907862.db2.gz SAZPUHXIKACIGV-SECBINFHSA-N 0 0 382.214 3.195 10 5 GGBERN COc1ccc(S(=O)(=O)N2CC(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000451925001 566909253 /nfs/dbraw/zinc/90/92/53/566909253.db2.gz DTGNGYDFFIODCO-UHFFFAOYSA-N 0 0 382.825 3.045 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000451925350 566909999 /nfs/dbraw/zinc/90/99/99/566909999.db2.gz FFTLHNRXHWYRND-UHFFFAOYSA-N 0 0 380.853 3.220 10 5 GGBERN CN(Cc1cc(Br)ccc1Cl)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000491765860 566914827 /nfs/dbraw/zinc/91/48/27/566914827.db2.gz VJALFEDHVHCFCE-UHFFFAOYSA-N 0 0 399.632 3.141 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC2(Cc3cccc(Cl)c3)CC2)c1 ZINC000452001942 566921541 /nfs/dbraw/zinc/92/15/41/566921541.db2.gz GKFKMCKVVYBTHV-UHFFFAOYSA-N 0 0 380.853 3.443 10 5 GGBERN COc1ccc(NC(=O)C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000543930046 566922934 /nfs/dbraw/zinc/92/29/34/566922934.db2.gz FNOQLRAUHHEKLX-UHFFFAOYSA-N 0 0 379.166 3.187 10 5 GGBERN Cc1cc(C)c(S(=O)(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000563854424 566923611 /nfs/dbraw/zinc/92/36/11/566923611.db2.gz XMWUXKGFGGAEER-UHFFFAOYSA-N 0 0 379.463 3.275 10 5 GGBERN O=[N+]([O-])c1cc(CN[C@H](CO)c2ccc(Br)c(F)c2)cs1 ZINC000492223868 566927846 /nfs/dbraw/zinc/92/78/46/566927846.db2.gz IATQCWOQXQINNO-GFCCVEGCSA-N 0 0 375.219 3.381 10 5 GGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](OC(F)F)C1 ZINC000611580586 566928499 /nfs/dbraw/zinc/92/84/99/566928499.db2.gz YDWZLZXXFRHPDT-GXSJLCMTSA-N 0 0 377.775 3.279 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](OC(F)F)C1 ZINC000611573789 566928698 /nfs/dbraw/zinc/92/86/98/566928698.db2.gz XSTRBSAPFDHQOK-LLVKDONJSA-N 0 0 379.157 3.201 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1N1CCC[C@@H](OC(F)F)C1 ZINC000611584234 566930001 /nfs/dbraw/zinc/93/00/01/566930001.db2.gz YKHILLBBWSRNHN-SECBINFHSA-N 0 0 398.147 3.407 10 5 GGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](OC(F)F)C1 ZINC000611580597 566930022 /nfs/dbraw/zinc/93/00/22/566930022.db2.gz YDWZLZXXFRHPDT-ONGXEEELSA-N 0 0 377.775 3.279 10 5 GGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000611582555 566930536 /nfs/dbraw/zinc/93/05/36/566930536.db2.gz WYXKGZGERLANAE-GFCCVEGCSA-N 0 0 377.775 3.204 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(n3cc(Br)cn3)CC2)n1 ZINC000611616259 566932044 /nfs/dbraw/zinc/93/20/44/566932044.db2.gz CRJUCTQZWCHVDN-UHFFFAOYSA-N 0 0 380.246 3.407 10 5 GGBERN Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000544087208 566937308 /nfs/dbraw/zinc/93/73/08/566937308.db2.gz AZRHBAALINEHJF-UHFFFAOYSA-N 0 0 380.447 3.038 10 5 GGBERN COc1cc(Br)ccc1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000544116758 566941352 /nfs/dbraw/zinc/94/13/52/566941352.db2.gz IQDDFSHUARCHBT-UHFFFAOYSA-N 0 0 394.225 3.124 10 5 GGBERN COCCN(Cc1ccc(Br)s1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000493278961 566946062 /nfs/dbraw/zinc/94/60/62/566946062.db2.gz GMSIASRJALQQLN-UHFFFAOYSA-N 0 0 388.243 3.036 10 5 GGBERN C[C@@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000452197879 566950536 /nfs/dbraw/zinc/95/05/36/566950536.db2.gz UBUQIPJGSUWXDB-CYBMUJFWSA-N 0 0 392.168 3.164 10 5 GGBERN O=C(NCCCC1CCOCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000452200442 566950670 /nfs/dbraw/zinc/95/06/70/566950670.db2.gz OQXIRDNCNRHEDS-UHFFFAOYSA-N 0 0 377.260 3.355 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000471432186 566953199 /nfs/dbraw/zinc/95/31/99/566953199.db2.gz ITPBWRAABWAETK-SWLSCSKDSA-N 0 0 394.200 3.486 10 5 GGBERN Cn1nc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1C1CC1 ZINC000519636451 566955158 /nfs/dbraw/zinc/95/51/58/566955158.db2.gz RXEPPPUXKQPFFN-UHFFFAOYSA-N 0 0 380.202 3.034 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)CCC2)n1 ZINC000493797957 566956536 /nfs/dbraw/zinc/95/65/36/566956536.db2.gz RVOKYEGQFDZJIM-UHFFFAOYSA-N 0 0 381.479 3.334 10 5 GGBERN COc1cc(COc2ccc(Br)cc2CCO)ccc1[N+](=O)[O-] ZINC000564383047 566970619 /nfs/dbraw/zinc/97/06/19/566970619.db2.gz ZRDVWPGCSCREIM-UHFFFAOYSA-N 0 0 382.210 3.480 10 5 GGBERN Cc1cc(S(=O)(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)s1 ZINC000583656250 566970847 /nfs/dbraw/zinc/97/08/47/566970847.db2.gz MTRCICLNZFMPEH-UHFFFAOYSA-N 0 0 379.463 3.275 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)CC[C@@H]1CCCCO1 ZINC000544596527 566971781 /nfs/dbraw/zinc/97/17/81/566971781.db2.gz NNDJPYMMINYFDP-NSHDSACASA-N 0 0 378.244 3.090 10 5 GGBERN Cc1c(Br)c(N2CCN(C(=O)CC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000612438123 566972894 /nfs/dbraw/zinc/97/28/94/566972894.db2.gz MHGSEOZERZPFDL-UHFFFAOYSA-N 0 0 399.289 3.146 10 5 GGBERN O=C(NCCC1(F)CCC1)c1ccc([N+](=O)[O-])cc1I ZINC000519843930 566973747 /nfs/dbraw/zinc/97/37/47/566973747.db2.gz SDPOCGFGRMPUMY-UHFFFAOYSA-N 0 0 392.168 3.212 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nccnc2c1Br ZINC000583717633 566975659 /nfs/dbraw/zinc/97/56/59/566975659.db2.gz ZDAMOSCAKJLQMU-UHFFFAOYSA-N 0 0 388.181 3.256 10 5 GGBERN Cc1ccc(C(C)(C)NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cn1 ZINC000544696769 566981701 /nfs/dbraw/zinc/98/17/01/566981701.db2.gz BZKPJYNYROLHAL-UHFFFAOYSA-N 0 0 383.857 3.474 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544722486 566987304 /nfs/dbraw/zinc/98/73/04/566987304.db2.gz XCIQMTBNIQRIQQ-UHFFFAOYSA-N 0 0 384.454 3.217 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)s1 ZINC000494389085 566996755 /nfs/dbraw/zinc/99/67/55/566996755.db2.gz XBVAZPWEXZNXDE-UHFFFAOYSA-N 0 0 397.865 3.469 10 5 GGBERN C[C@H](C(=O)N[C@@H](CO)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000520321190 566997562 /nfs/dbraw/zinc/99/75/62/566997562.db2.gz LDDWVLHEQKRNTB-ZBEGNZNMSA-N 0 0 393.237 3.311 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)c1cccc(Br)c1 ZINC000430202834 567000588 /nfs/dbraw/zinc/00/05/88/567000588.db2.gz DJNJRITYFJRNEC-OAHLLOKOSA-N 0 0 381.226 3.189 10 5 GGBERN O=C(N[C@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1I ZINC000430257305 567002358 /nfs/dbraw/zinc/00/23/58/567002358.db2.gz ZZURRYBESZVUNU-LBPRGKRZSA-N 0 0 386.189 3.262 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCOc1ncccc1F ZINC000564740122 567004449 /nfs/dbraw/zinc/00/44/49/567004449.db2.gz AKXMSYGPOJZVIJ-UHFFFAOYSA-N 0 0 398.188 3.009 10 5 GGBERN O=C(c1cc(Br)c(F)cc1F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000430284014 567005592 /nfs/dbraw/zinc/00/55/92/567005592.db2.gz MBEILEWYBHCWCH-UHFFFAOYSA-N 0 0 398.163 3.229 10 5 GGBERN Cc1c(NC(=O)C(=O)Nc2ccsc2)cc(Br)cc1[N+](=O)[O-] ZINC000430341168 567011521 /nfs/dbraw/zinc/01/15/21/567011521.db2.gz FJJUNILCENFKPA-UHFFFAOYSA-N 0 0 384.211 3.304 10 5 GGBERN Cc1cc(OCC(=O)NCCc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000430414196 567014738 /nfs/dbraw/zinc/01/47/38/567014738.db2.gz BHYMFNHPVNZUQR-UHFFFAOYSA-N 0 0 393.237 3.403 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(Cc2cnccn2)no1 ZINC000584139324 567015126 /nfs/dbraw/zinc/01/51/26/567015126.db2.gz FRLDNBDNYKBDCT-UHFFFAOYSA-N 0 0 376.170 3.097 10 5 GGBERN COCCC1(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CCCC1 ZINC000472317413 567018940 /nfs/dbraw/zinc/01/89/40/567018940.db2.gz YHBIDNIWDWVEEU-UHFFFAOYSA-N 0 0 390.889 3.432 10 5 GGBERN COc1ccc(CCNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000472335753 567020346 /nfs/dbraw/zinc/02/03/46/567020346.db2.gz FMUIMBIHWOVMAJ-UHFFFAOYSA-N 0 0 384.841 3.086 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000494864717 567030332 /nfs/dbraw/zinc/03/03/32/567030332.db2.gz PEDJBEZXCCTLBK-UHFFFAOYSA-N 0 0 382.189 3.472 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)n1 ZINC000495285661 567055844 /nfs/dbraw/zinc/05/58/44/567055844.db2.gz VVLNHVWMUMNIMS-UHFFFAOYSA-N 0 0 377.813 3.281 10 5 GGBERN Cc1c(Br)c(=O)n(Cc2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000545484219 567056193 /nfs/dbraw/zinc/05/61/93/567056193.db2.gz INVHRMKLLCDILS-UHFFFAOYSA-N 0 0 389.209 3.061 10 5 GGBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ncsc1Br ZINC000565326832 567058978 /nfs/dbraw/zinc/05/89/78/567058978.db2.gz OSXCJKXYPHUTHN-UHFFFAOYSA-N 0 0 379.195 3.036 10 5 GGBERN Cc1c(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000431180653 567063339 /nfs/dbraw/zinc/06/33/39/567063339.db2.gz HTHQGYNMYYXWIC-JTQLQIEISA-N 0 0 398.257 3.251 10 5 GGBERN Cc1c(NC(=O)CSc2nncs2)cc(Br)cc1[N+](=O)[O-] ZINC000431178924 567063623 /nfs/dbraw/zinc/06/36/23/567063623.db2.gz KICAYFDAGPTBPR-UHFFFAOYSA-N 0 0 389.256 3.248 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1csc(C(C)(C)C)n1 ZINC000521549642 567065464 /nfs/dbraw/zinc/06/54/64/567065464.db2.gz QSKRATRZTNHHLP-UHFFFAOYSA-N 0 0 384.479 3.472 10 5 GGBERN CC(C)(C)c1ccc(NS(=O)(=O)CCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000565455073 567069492 /nfs/dbraw/zinc/06/94/92/567069492.db2.gz RKJMJXHHJDUGRI-UHFFFAOYSA-N 0 0 384.376 3.213 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCc2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000431296279 567072073 /nfs/dbraw/zinc/07/20/73/567072073.db2.gz UDFLJOUYJBCILF-UHFFFAOYSA-N 0 0 382.825 3.065 10 5 GGBERN CCn1cc(Br)cc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000545778704 567076625 /nfs/dbraw/zinc/07/66/25/567076625.db2.gz AJHUQGGZHSLNAS-UHFFFAOYSA-N 0 0 378.186 3.215 10 5 GGBERN CCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000565620055 567082952 /nfs/dbraw/zinc/08/29/52/567082952.db2.gz KTJAAJDMJSRRCR-UHFFFAOYSA-N 0 0 379.463 3.221 10 5 GGBERN C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ncc(Br)cn1 ZINC000431492483 567085162 /nfs/dbraw/zinc/08/51/62/567085162.db2.gz CTUQIKSEUKMRAN-LURJTMIESA-N 0 0 381.215 3.325 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CSc3ccccc3O2)s1 ZINC000565654202 567086056 /nfs/dbraw/zinc/08/60/56/567086056.db2.gz IQDAEFZPROOAHD-SECBINFHSA-N 0 0 386.476 3.025 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cnn(CC(F)(F)F)c1 ZINC000585750464 567086326 /nfs/dbraw/zinc/08/63/26/567086326.db2.gz DSARUBOIBHHQSX-UHFFFAOYSA-N 0 0 393.119 3.368 10 5 GGBERN O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585810065 567090651 /nfs/dbraw/zinc/09/06/51/567090651.db2.gz GIVUINQLEGTSDW-ZDUSSCGKSA-N 0 0 390.193 3.422 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](n2ccnc2)C1 ZINC000585808807 567091318 /nfs/dbraw/zinc/09/13/18/567091318.db2.gz WKSKAHXFIJUVCW-ZDUSSCGKSA-N 0 0 394.229 3.423 10 5 GGBERN COc1cccc(C[C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000497422816 567097283 /nfs/dbraw/zinc/09/72/83/567097283.db2.gz UECSWYRPCIDYJH-NSHDSACASA-N 0 0 384.841 3.166 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCOc2ncccc2C1 ZINC000586807562 567097586 /nfs/dbraw/zinc/09/75/86/567097586.db2.gz UCOSTSGNKBJBQG-UHFFFAOYSA-N 0 0 392.209 3.096 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@@H]1CCO ZINC000586835107 567099984 /nfs/dbraw/zinc/09/99/84/567099984.db2.gz FKNGLZGSEKGAAX-GFCCVEGCSA-N 0 0 385.258 3.433 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cnc2ccccc2c1O ZINC000586836025 567101214 /nfs/dbraw/zinc/10/12/14/567101214.db2.gz KXTWPWCGUVKVED-UHFFFAOYSA-N 0 0 388.177 3.451 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000586836249 567101293 /nfs/dbraw/zinc/10/12/93/567101293.db2.gz ORZTYVHEZMZESJ-AWEZNQCLSA-N 0 0 381.157 3.439 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000586835290 567101672 /nfs/dbraw/zinc/10/16/72/567101672.db2.gz UCPVLKGUMZJDCD-CYBMUJFWSA-N 0 0 385.258 3.433 10 5 GGBERN COc1ccc(Br)cc1CN(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000586964760 567103007 /nfs/dbraw/zinc/10/30/07/567103007.db2.gz YPDGMOPGOXJVEZ-UHFFFAOYSA-N 0 0 396.241 3.077 10 5 GGBERN COc1ccccc1C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000546076019 567103909 /nfs/dbraw/zinc/10/39/09/567103909.db2.gz WCCUZRCCMDPLEO-UHFFFAOYSA-N 0 0 382.463 3.065 10 5 GGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000587416158 567104490 /nfs/dbraw/zinc/10/44/90/567104490.db2.gz QQPVXAVNIJVSEN-NRUUGDAUSA-N 0 0 378.372 3.254 10 5 GGBERN COC(=O)c1cc(C)nc(NCc2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC000587975025 567106001 /nfs/dbraw/zinc/10/60/01/567106001.db2.gz VGWBKQLFSUCXPK-UHFFFAOYSA-N 0 0 394.225 3.190 10 5 GGBERN Nc1cc(N2CCc3c(F)cc(Br)cc3C2)cc(CO)c1[N+](=O)[O-] ZINC000587997152 567106378 /nfs/dbraw/zinc/10/63/78/567106378.db2.gz HQIXPEUJAFBTQE-UHFFFAOYSA-N 0 0 396.216 3.134 10 5 GGBERN Cc1cc(Br)ccc1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000587974963 567106662 /nfs/dbraw/zinc/10/66/62/567106662.db2.gz GAOBVKDQAWCEMM-UHFFFAOYSA-N 0 0 389.209 3.349 10 5 GGBERN COc1cc(Br)ccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588022096 567108057 /nfs/dbraw/zinc/10/80/57/567108057.db2.gz FOCJSYOVBIKUCM-UHFFFAOYSA-N 0 0 382.214 3.053 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000588040227 567109629 /nfs/dbraw/zinc/10/96/29/567109629.db2.gz VCKXWZADVWRXCR-CQSZACIVSA-N 0 0 377.413 3.225 10 5 GGBERN Nc1cc(N[C@@H]2CCOc3c(Br)cccc32)cc(CO)c1[N+](=O)[O-] ZINC000588042286 567110387 /nfs/dbraw/zinc/11/03/87/567110387.db2.gz DZJIGSJJIKDAST-CQSZACIVSA-N 0 0 394.225 3.368 10 5 GGBERN Nc1cc(N[C@H]2CCOc3c(Br)cccc32)cc(CO)c1[N+](=O)[O-] ZINC000588042285 567110809 /nfs/dbraw/zinc/11/08/09/567110809.db2.gz DZJIGSJJIKDAST-AWEZNQCLSA-N 0 0 394.225 3.368 10 5 GGBERN C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000431841423 567111846 /nfs/dbraw/zinc/11/18/46/567111846.db2.gz DLJVFSBDKXIRME-VHSXEESVSA-N 0 0 394.229 3.269 10 5 GGBERN C[C@@H](NC(=O)N[C@H](C)c1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000431841420 567112349 /nfs/dbraw/zinc/11/23/49/567112349.db2.gz DLJVFSBDKXIRME-NXEZZACHSA-N 0 0 394.229 3.269 10 5 GGBERN C[C@H](NC(=O)N[C@@H](C)c1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000431841421 567112463 /nfs/dbraw/zinc/11/24/63/567112463.db2.gz DLJVFSBDKXIRME-UWVGGRQHSA-N 0 0 394.229 3.269 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144505 567117608 /nfs/dbraw/zinc/11/76/08/567117608.db2.gz LPJWCIJLHSSBPB-NSHDSACASA-N 0 0 399.213 3.132 10 5 GGBERN C[C@H](c1noc(CCc2cccc([N+](=O)[O-])c2)n1)n1cc(Br)cn1 ZINC000566009342 567117895 /nfs/dbraw/zinc/11/78/95/567117895.db2.gz OFLRYFGULFYFPV-SNVBAGLBSA-N 0 0 392.213 3.331 10 5 GGBERN O=C(N[C@@H]1CCCC1(F)F)c1cc(I)cc([N+](=O)[O-])c1 ZINC000588180067 567118702 /nfs/dbraw/zinc/11/87/02/567118702.db2.gz GDLUAAUFDGNTQE-SNVBAGLBSA-N 0 0 396.131 3.117 10 5 GGBERN O=C(Cn1cnc2ccccc21)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000566025848 567119170 /nfs/dbraw/zinc/11/91/70/567119170.db2.gz MPAYQXRUAMLVRW-UHFFFAOYSA-N 0 0 375.182 3.346 10 5 GGBERN COc1ccc(Br)cc1-c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000546338846 567123969 /nfs/dbraw/zinc/12/39/69/567123969.db2.gz YYDMTOCKWODRBX-UHFFFAOYSA-N 0 0 377.154 3.478 10 5 GGBERN COc1ncc(Br)cc1Cc1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000546460778 567130026 /nfs/dbraw/zinc/13/00/26/567130026.db2.gz AZEDLSGMGDNVNQ-UHFFFAOYSA-N 0 0 391.181 3.402 10 5 GGBERN COc1ccc(Br)c(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC000546490324 567131941 /nfs/dbraw/zinc/13/19/41/567131941.db2.gz DHJSUTVYTDLGLB-UHFFFAOYSA-N 0 0 391.181 3.402 10 5 GGBERN Cc1cc(F)ccc1S(=O)(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000497947631 567136196 /nfs/dbraw/zinc/13/61/96/567136196.db2.gz AMJLOMTWVNAZKH-MRXNPFEDSA-N 0 0 382.438 3.479 10 5 GGBERN NC(=O)[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000522935236 567138097 /nfs/dbraw/zinc/13/80/97/567138097.db2.gz DCQYMBZIBDTNRZ-NSHDSACASA-N 0 0 385.605 3.044 10 5 GGBERN O=C(Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)c1cccc(Br)c1 ZINC000566214192 567138523 /nfs/dbraw/zinc/13/85/23/567138523.db2.gz IROZBRNLYJSKSV-UHFFFAOYSA-N 0 0 391.221 3.281 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC3(C2)Oc2ccccc2O3)c(Br)c1 ZINC000588861411 567140775 /nfs/dbraw/zinc/14/07/75/567140775.db2.gz PIRBOTBMXQTUST-UHFFFAOYSA-N 0 0 378.182 3.130 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cc(F)ccc2F)c(Cl)c1 ZINC000474206905 567146277 /nfs/dbraw/zinc/14/62/77/567146277.db2.gz HTGGGETXDYGNPO-UHFFFAOYSA-N 0 0 376.768 3.047 10 5 GGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589021855 567151342 /nfs/dbraw/zinc/15/13/42/567151342.db2.gz UKCZGTNVBFAJOE-RDDDGLTNSA-N 0 0 397.147 3.149 10 5 GGBERN C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432515264 567165686 /nfs/dbraw/zinc/16/56/86/567165686.db2.gz QSUFTDWRZRDIBQ-JTQLQIEISA-N 0 0 394.229 3.050 10 5 GGBERN C[C@@H]1C[C@H](C)[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000474399639 567167904 /nfs/dbraw/zinc/16/79/04/567167904.db2.gz ZTDGRPCTGWIHTL-OUAUKWLOSA-N 0 0 391.287 3.412 10 5 GGBERN C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000474399638 567168706 /nfs/dbraw/zinc/16/87/06/567168706.db2.gz ZTDGRPCTGWIHTL-MXWKQRLJSA-N 0 0 391.287 3.412 10 5 GGBERN C[C@@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1F ZINC000589258384 567170269 /nfs/dbraw/zinc/17/02/69/567170269.db2.gz JCRBLTWFRCCVBW-NOZJJQNGSA-N 0 0 378.185 3.379 10 5 GGBERN C[C@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000589258387 567170428 /nfs/dbraw/zinc/17/04/28/567170428.db2.gz JCRBLTWFRCCVBW-ZANVPECISA-N 0 0 378.185 3.379 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@H]1C1CCC1 ZINC000566677268 567178146 /nfs/dbraw/zinc/17/81/46/567178146.db2.gz ZAXLLDZOZVOVCE-AWEZNQCLSA-N 0 0 384.230 3.390 10 5 GGBERN C[C@@H](Cc1ccc(Br)cc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589560891 567183278 /nfs/dbraw/zinc/18/32/78/567183278.db2.gz SAGSLBXOYWQMTQ-JTQLQIEISA-N 0 0 380.242 3.475 10 5 GGBERN O=C(Cc1ccc(Br)s1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000524373028 567195888 /nfs/dbraw/zinc/19/58/88/567195888.db2.gz HNMITIOLZXQXKE-UHFFFAOYSA-N 0 0 385.239 3.157 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000589916563 567197923 /nfs/dbraw/zinc/19/79/23/567197923.db2.gz OIBODLXMRMXIJQ-QWHCGFSZSA-N 0 0 380.800 3.222 10 5 GGBERN COCCOc1cccc(CNc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC000474781037 567199336 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CCOC(=O)c1sc2ccsc2c1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000500096539 567298842 /nfs/dbraw/zinc/29/88/42/567298842.db2.gz DVLVKNLFXBKJJM-UHFFFAOYSA-N 0 0 379.419 3.306 10 5 GGBERN Cc1cc(Br)ccc1CN(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000434215796 567298857 /nfs/dbraw/zinc/29/88/57/567298857.db2.gz JHMCYVUAXPLFGM-UHFFFAOYSA-N 0 0 379.214 3.147 10 5 GGBERN CC(C)(C)CC(=O)N1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000591840703 567300696 /nfs/dbraw/zinc/30/06/96/567300696.db2.gz MEBXMPQULBGYJI-UHFFFAOYSA-N 0 0 398.301 3.438 10 5 GGBERN O=C(CNC(=O)CC1CCCCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000568101063 567304293 /nfs/dbraw/zinc/30/42/93/567304293.db2.gz FCAQLXBPMBKRMO-UHFFFAOYSA-N 0 0 398.257 3.382 10 5 GGBERN CN1CCO[C@@H](CSc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000591953172 567305113 /nfs/dbraw/zinc/30/51/13/567305113.db2.gz FOJMQJJBNZIPGH-MRVPVSSYSA-N 0 0 387.330 3.067 10 5 GGBERN Cn1c2cc([N+](=O)[O-])c(N3CCc4sc(Cl)cc4C3)cc2n(C)c1=O ZINC000591960960 567306354 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CS[C@H]1CCCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000435125411 567342160 /nfs/dbraw/zinc/34/21/60/567342160.db2.gz WSQWMUGIDUDDHX-NSHDSACASA-N 0 0 378.903 3.463 10 5 GGBERN Cn1cc(Br)c(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000456112501 567342891 /nfs/dbraw/zinc/34/28/91/567342891.db2.gz DBSFYLKGOMCOMU-UHFFFAOYSA-N 0 0 395.257 3.318 10 5 GGBERN C[C@@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)n1cc(Br)cn1 ZINC000592580709 567347081 /nfs/dbraw/zinc/34/70/81/567347081.db2.gz SXQJRHPAJHGEEA-QWRGUYRKSA-N 0 0 393.241 3.483 10 5 GGBERN COC(=O)c1cc(NCCCn2cc(Br)cn2)cc(C)c1[N+](=O)[O-] ZINC000568673036 567347425 /nfs/dbraw/zinc/34/74/25/567347425.db2.gz OZFYMXXEPFVKOL-UHFFFAOYSA-N 0 0 397.229 3.151 10 5 GGBERN O=C(Nc1n[nH]c2cc(F)ccc21)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000476792328 567349251 /nfs/dbraw/zinc/34/92/51/567349251.db2.gz VCWFXOCNLKITOV-UHFFFAOYSA-N 0 0 379.145 3.047 10 5 GGBERN O=C(Nc1n[nH]c2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000476803398 567350441 /nfs/dbraw/zinc/35/04/41/567350441.db2.gz JNBAFYMOYGMMGN-UHFFFAOYSA-N 0 0 379.145 3.047 10 5 GGBERN CC1=C[C@H](C)CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000568712856 567350656 /nfs/dbraw/zinc/35/06/56/567350656.db2.gz PHSFGSQYIHREJS-VIFPVBQESA-N 0 0 386.189 3.238 10 5 GGBERN O=C([C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1)N1CCCCC1 ZINC000568713447 567350868 /nfs/dbraw/zinc/35/08/68/567350868.db2.gz YSFAACAGYHAMSK-NEPJUHHUSA-N 0 0 397.273 3.345 10 5 GGBERN COc1ccc(Br)cc1C1(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000592671336 567354272 /nfs/dbraw/zinc/35/42/72/567354272.db2.gz GKSRCOPGQLHCKT-UHFFFAOYSA-N 0 0 392.209 3.180 10 5 GGBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)CC(F)F ZINC000592672024 567354396 /nfs/dbraw/zinc/35/43/96/567354396.db2.gz LIHCWCRSBHEHGH-SSDOTTSWSA-N 0 0 398.147 3.221 10 5 GGBERN COc1ccc(Br)cc1C1(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000592672251 567354438 /nfs/dbraw/zinc/35/44/38/567354438.db2.gz MTZSDOWRTWCMLQ-UHFFFAOYSA-N 0 0 381.182 3.378 10 5 GGBERN Cc1c(NC(=O)NCc2ncccc2O)cc(Br)cc1[N+](=O)[O-] ZINC000435322683 567354733 /nfs/dbraw/zinc/35/47/33/567354733.db2.gz FWWRMVQXTFMSRE-UHFFFAOYSA-N 0 0 381.186 3.088 10 5 GGBERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592704597 567355281 /nfs/dbraw/zinc/35/52/81/567355281.db2.gz QLIBBGIOIAVHEB-RTXFEEFZSA-N 0 0 378.372 3.252 10 5 GGBERN CCO[C@@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592702180 567355679 /nfs/dbraw/zinc/35/56/79/567355679.db2.gz FZBUIMHRFYIYSE-XFJVYGCCSA-N 0 0 388.873 3.042 10 5 GGBERN Cc1c(NC(=O)NCc2noc(C3CC3)n2)cc(Br)cc1[N+](=O)[O-] ZINC000435326979 567355992 /nfs/dbraw/zinc/35/59/92/567355992.db2.gz FPKYUFSNFDEVHU-UHFFFAOYSA-N 0 0 396.201 3.248 10 5 GGBERN Cc1c(NC(=O)NCCc2nccs2)cc(Br)cc1[N+](=O)[O-] ZINC000435325891 567356013 /nfs/dbraw/zinc/35/60/13/567356013.db2.gz BGNDIWCLGVIUMZ-UHFFFAOYSA-N 0 0 385.243 3.486 10 5 GGBERN Cc1noc([C@@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000435326564 567356289 /nfs/dbraw/zinc/35/62/89/567356289.db2.gz DLSZOWLASSUXBY-SSDOTTSWSA-N 0 0 384.190 3.240 10 5 GGBERN Cc1c(NC(=O)NCCc2cscn2)cc(Br)cc1[N+](=O)[O-] ZINC000435328718 567356596 /nfs/dbraw/zinc/35/65/96/567356596.db2.gz MMYMWGPQUWYBFQ-UHFFFAOYSA-N 0 0 385.243 3.486 10 5 GGBERN Cc1c(NC(=O)NC[C@@H]2CCC[C@H](O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435324328 567356640 /nfs/dbraw/zinc/35/66/40/567356640.db2.gz VODMDANFNVYDRK-PWSUYJOCSA-N 0 0 386.246 3.338 10 5 GGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1csc(C)c1 ZINC000592730593 567358495 /nfs/dbraw/zinc/35/84/95/567358495.db2.gz QUOGLDLMNWWWHA-OAHLLOKOSA-N 0 0 382.463 3.249 10 5 GGBERN Cc1ccc2c(c1C)OC[C@H]2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476985206 567362616 /nfs/dbraw/zinc/36/26/16/567362616.db2.gz WNLOSNQZAPRYCD-CQSZACIVSA-N 0 0 382.825 3.277 10 5 GGBERN Cc1noc(C(C)(C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000501070381 567362935 /nfs/dbraw/zinc/36/29/35/567362935.db2.gz JWYDNEBIMXAWKF-UHFFFAOYSA-N 0 0 384.190 3.106 10 5 GGBERN O=C(Nc1cnn(CC(F)F)c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501082455 567363381 /nfs/dbraw/zinc/36/33/81/567363381.db2.gz IJZGCAVCTAFXLN-UHFFFAOYSA-N 0 0 390.144 3.463 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H](CO)c1cccc(F)c1 ZINC000501100961 567364424 /nfs/dbraw/zinc/36/44/24/567364424.db2.gz RBLGLSMKZOGJOY-CQSZACIVSA-N 0 0 398.188 3.352 10 5 GGBERN COc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)nc1 ZINC000501085788 567364518 /nfs/dbraw/zinc/36/45/18/567364518.db2.gz UFTFLICNCGAGKS-UHFFFAOYSA-N 0 0 381.186 3.083 10 5 GGBERN Cc1nnc([C@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000501098608 567365009 /nfs/dbraw/zinc/36/50/09/567365009.db2.gz HPROJFYXXZDFPA-LURJTMIESA-N 0 0 386.231 3.400 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCc2ncsc2C1 ZINC000501119377 567366556 /nfs/dbraw/zinc/36/65/56/567366556.db2.gz JLNYYOQPYDKAQK-UHFFFAOYSA-N 0 0 383.227 3.404 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000435583388 567375862 /nfs/dbraw/zinc/37/58/62/567375862.db2.gz IZAHXPOIBJHHAO-AULYBMBSSA-N 0 0 381.841 3.254 10 5 GGBERN Cc1nn(Cc2ccc(Br)cc2[N+](=O)[O-])c(C)c1[C@@H]1CCC(=O)N1 ZINC000592989194 567375950 /nfs/dbraw/zinc/37/59/50/567375950.db2.gz LUMZBHUEJYQRTI-ZDUSSCGKSA-N 0 0 393.241 3.170 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000501279463 567376587 /nfs/dbraw/zinc/37/65/87/567376587.db2.gz SUOUKKWYYLIFOQ-UHFFFAOYSA-N 0 0 393.119 3.082 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000435592000 567377045 /nfs/dbraw/zinc/37/70/45/567377045.db2.gz IOIVBKILBAHGPW-XJKSGUPXSA-N 0 0 384.816 3.363 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000501291801 567377721 /nfs/dbraw/zinc/37/77/21/567377721.db2.gz YKNUFNBVRHJING-OAHLLOKOSA-N 0 0 391.225 3.337 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCN1c1nccs1 ZINC000501292174 567378790 /nfs/dbraw/zinc/37/87/90/567378790.db2.gz MTZLYQGVQCJKOH-LBPRGKRZSA-N 0 0 397.254 3.421 10 5 GGBERN COCCOc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)ccn1 ZINC000501304847 567380188 /nfs/dbraw/zinc/38/01/88/567380188.db2.gz FMVQYIQFDUTRSN-UHFFFAOYSA-N 0 0 396.197 3.030 10 5 GGBERN CCO[C@@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000549286400 567384292 /nfs/dbraw/zinc/38/42/92/567384292.db2.gz YBUDKRRHDMSSHC-YUELXQCFSA-N 0 0 381.230 3.384 10 5 GGBERN COc1cccc(C(=O)NCCc2ccccc2Br)c1[N+](=O)[O-] ZINC000435756184 567386662 /nfs/dbraw/zinc/38/66/62/567386662.db2.gz OWVSHKZCSWKVBZ-UHFFFAOYSA-N 0 0 379.210 3.338 10 5 GGBERN Cc1sc(S(=O)(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)cc1[N+](=O)[O-] ZINC000569207997 567386966 /nfs/dbraw/zinc/38/69/66/567386966.db2.gz QGRPSEXVYZRSDM-UKRRQHHQSA-N 0 0 382.463 3.163 10 5 GGBERN CCn1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc2cccnc21 ZINC000477374982 567390906 /nfs/dbraw/zinc/39/09/06/567390906.db2.gz CVBIIYIAEGDHRB-UHFFFAOYSA-N 0 0 390.197 3.374 10 5 GGBERN O=[N+]([O-])c1ccccc1CSCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593200730 567394860 /nfs/dbraw/zinc/39/48/60/567394860.db2.gz RJKAUCCAPNQGBT-UHFFFAOYSA-N 0 0 378.475 3.469 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccccc3Br)CCC2)n1 ZINC000593196156 567395033 /nfs/dbraw/zinc/39/50/33/567395033.db2.gz QCKXCKXEVSXKAN-UHFFFAOYSA-N 0 0 393.241 3.383 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)NC1(c2ccccc2Br)CCC1 ZINC000593197083 567395075 /nfs/dbraw/zinc/39/50/75/567395075.db2.gz UWRBWVHERGGJAC-UHFFFAOYSA-N 0 0 393.241 3.140 10 5 GGBERN Cc1c(NC(=O)N2CCC(C3(O)CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000593206776 567397135 /nfs/dbraw/zinc/39/71/35/567397135.db2.gz NGGAHHDFJRSZFK-UHFFFAOYSA-N 0 0 398.257 3.435 10 5 GGBERN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000456658974 567399103 /nfs/dbraw/zinc/39/91/03/567399103.db2.gz QCLJDSOVLKFLGS-SNVBAGLBSA-N 0 0 379.766 3.204 10 5 GGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593279364 567402392 /nfs/dbraw/zinc/40/23/92/567402392.db2.gz LFNTXWRTNXZLGG-OAHLLOKOSA-N 0 0 383.242 3.292 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000456695962 567403097 /nfs/dbraw/zinc/40/30/97/567403097.db2.gz NZUVSSKSLGHJDG-TVQRCGJNSA-N 0 0 378.372 3.092 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000456695961 567403168 /nfs/dbraw/zinc/40/31/68/567403168.db2.gz NZUVSSKSLGHJDG-RNCFNFMXSA-N 0 0 378.372 3.092 10 5 GGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593279669 567403126 /nfs/dbraw/zinc/40/31/26/567403126.db2.gz VQGFEMPLXPVHNZ-OAHLLOKOSA-N 0 0 383.242 3.292 10 5 GGBERN O=c1[nH]c2c(cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCCC2 ZINC000593285615 567403445 /nfs/dbraw/zinc/40/34/45/567403445.db2.gz SOIOLRQDJPLNPG-UHFFFAOYSA-N 0 0 383.813 3.028 10 5 GGBERN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]1n1cccn1 ZINC000549684348 567404892 /nfs/dbraw/zinc/40/48/92/567404892.db2.gz RXWDGZREDJCAKJ-ZNMIVQPWSA-N 0 0 381.230 3.384 10 5 GGBERN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C2(CCC2)CO1 ZINC000593319468 567406300 /nfs/dbraw/zinc/40/63/00/567406300.db2.gz LIZUDVCGXJTDET-LLVKDONJSA-N 0 0 383.242 3.070 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000456726385 567410692 /nfs/dbraw/zinc/41/06/92/567410692.db2.gz ZPIYGQHGNHIODE-OQPBUACISA-N 0 0 398.790 3.112 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000456726387 567411101 /nfs/dbraw/zinc/41/11/01/567411101.db2.gz ZPIYGQHGNHIODE-SDBXPKJASA-N 0 0 398.790 3.112 10 5 GGBERN CCc1n[nH]c(C2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)n1 ZINC000477718783 567411485 /nfs/dbraw/zinc/41/14/85/567411485.db2.gz OWZCTKBWZSJKHG-UHFFFAOYSA-N 0 0 395.261 3.125 10 5 GGBERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000436177533 567411803 /nfs/dbraw/zinc/41/18/03/567411803.db2.gz KDTLDVNBEVMPGC-UWVGGRQHSA-N 0 0 377.260 3.166 10 5 GGBERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000436177534 567412254 /nfs/dbraw/zinc/41/22/54/567412254.db2.gz KDTLDVNBEVMPGC-VHSXEESVSA-N 0 0 377.260 3.166 10 5 GGBERN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000456755922 567416920 /nfs/dbraw/zinc/41/69/20/567416920.db2.gz ZZULARKVBBKAQX-SNVBAGLBSA-N 0 0 379.766 3.204 10 5 GGBERN CN(CC(=O)NC(C)(C)C)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502085759 567418934 /nfs/dbraw/zinc/41/89/34/567418934.db2.gz ZBZBYFXFWDJGTA-UHFFFAOYSA-N 0 0 395.257 3.256 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCOC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000549984839 567421778 /nfs/dbraw/zinc/42/17/78/567421778.db2.gz QIIFLAIOQIICFN-ZDUSSCGKSA-N 0 0 388.873 3.136 10 5 GGBERN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593555649 567423871 /nfs/dbraw/zinc/42/38/71/567423871.db2.gz GMVAJJQDSJEERT-RYUDHWBXSA-N 0 0 383.857 3.456 10 5 GGBERN Cc1ccncc1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000477884471 567424488 /nfs/dbraw/zinc/42/44/88/567424488.db2.gz FFEHEBHGISJBRM-UHFFFAOYSA-N 0 0 378.226 3.262 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)nc1 ZINC000593603598 567427189 /nfs/dbraw/zinc/42/71/89/567427189.db2.gz WJJOXZSJGCGCIC-HNNXBMFYSA-N 0 0 385.804 3.212 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC23CCCC3)c(Br)c1 ZINC000593618822 567427960 /nfs/dbraw/zinc/42/79/60/567427960.db2.gz VUDCODZUIBPUQM-UHFFFAOYSA-N 0 0 375.244 3.065 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593630628 567431280 /nfs/dbraw/zinc/43/12/80/567431280.db2.gz XOMIUCPPHLQYBA-INIZCTEOSA-N 0 0 388.873 3.040 10 5 GGBERN CCN([C@@H]1CCCOC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000593636525 567431874 /nfs/dbraw/zinc/43/18/74/567431874.db2.gz MUBDOPVFXZYEMZ-SNVBAGLBSA-N 0 0 383.253 3.091 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593667783 567432740 /nfs/dbraw/zinc/43/27/40/567432740.db2.gz ZAPMYMSGRYMMFV-NSHDSACASA-N 0 0 386.298 3.033 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC12CCCC2 ZINC000593758770 567438896 /nfs/dbraw/zinc/43/88/96/567438896.db2.gz XMXUWANHHNHSCD-UHFFFAOYSA-N 0 0 386.189 3.358 10 5 GGBERN COc1ccc(Cl)c(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000593754116 567439144 /nfs/dbraw/zinc/43/91/44/567439144.db2.gz JGLHZCDYVFZCJH-UHFFFAOYSA-N 0 0 381.841 3.281 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(N(CCO)Cc2ccc(Br)s2)n1 ZINC000478167187 567439486 /nfs/dbraw/zinc/43/94/86/567439486.db2.gz HYENJRFQCOSVTD-UHFFFAOYSA-N 0 0 386.271 3.430 10 5 GGBERN CC(C)CCSc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1[N+](=O)[O-] ZINC000593861231 567443092 /nfs/dbraw/zinc/44/30/92/567443092.db2.gz BHFKTXQEQSGMBT-KXTXEXGHSA-N 0 0 382.507 3.078 10 5 GGBERN CC(C)CCSc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cc1[N+](=O)[O-] ZINC000593861232 567443571 /nfs/dbraw/zinc/44/35/71/567443571.db2.gz BHFKTXQEQSGMBT-DZWULXIXSA-N 0 0 382.507 3.078 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)c1cccnc1N(C)C ZINC000550656563 567455575 /nfs/dbraw/zinc/45/55/75/567455575.db2.gz PMUQOSOLIQKHAN-UHFFFAOYSA-N 0 0 393.241 3.403 10 5 GGBERN O=[N+]([O-])c1nn(CCCc2nc(-c3cccs3)no2)cc1Br ZINC000502833574 567456487 /nfs/dbraw/zinc/45/64/87/567456487.db2.gz MYXYCIJEFVTRBF-UHFFFAOYSA-N 0 0 384.215 3.298 10 5 GGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594072967 567457668 /nfs/dbraw/zinc/45/76/68/567457668.db2.gz QPXBKOICLNDADF-CABCVRRESA-N 0 0 383.242 3.435 10 5 GGBERN CC(C)(C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000457342566 567458887 /nfs/dbraw/zinc/45/88/87/567458887.db2.gz MICSXYAOOAKVER-UHFFFAOYSA-N 0 0 388.205 3.318 10 5 GGBERN Cc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)o1 ZINC000570107061 567459132 /nfs/dbraw/zinc/45/91/32/567459132.db2.gz SNLPOHAIOONWMM-UHFFFAOYSA-N 0 0 378.328 3.249 10 5 GGBERN O=C(N[C@H]1COc2ccc(F)cc2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000570151329 567461234 /nfs/dbraw/zinc/46/12/34/567461234.db2.gz CITOYYRLCMOLCZ-GFCCVEGCSA-N 0 0 395.184 3.230 10 5 GGBERN CC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594180368 567462821 /nfs/dbraw/zinc/46/28/21/567462821.db2.gz ZLXDBLSLGYYLNV-WPRPVWTQSA-N 0 0 377.260 3.496 10 5 GGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594164125 567463547 /nfs/dbraw/zinc/46/35/47/567463547.db2.gz HDVHLIDTQRHQHM-ZWNOBZJWSA-N 0 0 378.372 3.303 10 5 GGBERN CCc1nnc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000570250266 567470644 /nfs/dbraw/zinc/47/06/44/567470644.db2.gz CURUILUQLWIANB-UHFFFAOYSA-N 0 0 386.231 3.093 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC000594404450 567472951 /nfs/dbraw/zinc/47/29/51/567472951.db2.gz GMEXNEGBKALMMN-UHFFFAOYSA-N 0 0 392.209 3.096 10 5 GGBERN CC(C)(C)c1cc(Br)cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1O ZINC000594382693 567473369 /nfs/dbraw/zinc/47/33/69/567473369.db2.gz ZIDGOGZWPWMCOC-UHFFFAOYSA-N 0 0 397.229 3.196 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(CCOc1ccc(Br)cc1)CC2 ZINC000570366269 567479401 /nfs/dbraw/zinc/47/94/01/567479401.db2.gz WPDMVYOMHDJLIJ-UHFFFAOYSA-N 0 0 378.226 3.189 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000619753594 567480101 /nfs/dbraw/zinc/48/01/01/567480101.db2.gz KNBLIXIBRCHYEW-CYBMUJFWSA-N 0 0 378.372 3.338 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000594486464 567480697 /nfs/dbraw/zinc/48/06/97/567480697.db2.gz GFOSJZZWPKYRBK-JTQLQIEISA-N 0 0 378.397 3.096 10 5 GGBERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cc1Br ZINC000619794050 567481864 /nfs/dbraw/zinc/48/18/64/567481864.db2.gz YRWVAMCEENUNLZ-YOGCLGLASA-N 0 0 392.257 3.401 10 5 GGBERN CSc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000570420121 567483663 /nfs/dbraw/zinc/48/36/63/567483663.db2.gz SLHDCVMLIKILRS-MRVPVSSYSA-N 0 0 397.254 3.360 10 5 GGBERN CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(F)F ZINC000594579610 567488038 /nfs/dbraw/zinc/48/80/38/567488038.db2.gz XEGOJSDPUFUUPH-UHFFFAOYSA-N 0 0 387.202 3.069 10 5 GGBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2Br)CCCN1c1cccnc1 ZINC000503591962 567496777 /nfs/dbraw/zinc/49/67/77/567496777.db2.gz KRVBZQNHGLWMDC-OAHLLOKOSA-N 0 0 391.225 3.360 10 5 GGBERN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551333313 567497255 /nfs/dbraw/zinc/49/72/55/567497255.db2.gz WXBXIXIYCRXLER-SNVBAGLBSA-N 0 0 392.209 3.114 10 5 GGBERN COc1ccc(OCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551333665 567498196 /nfs/dbraw/zinc/49/81/96/567498196.db2.gz YQUDXRHXXXSZAD-UHFFFAOYSA-N 0 0 381.182 3.383 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(F)(F)F)cc2Br)n1 ZINC000503681729 567500188 /nfs/dbraw/zinc/50/01/88/567500188.db2.gz SHRHDPHWRTVXMV-UHFFFAOYSA-N 0 0 393.119 3.362 10 5 GGBERN Cc1ccc(CNC(=O)CNc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551360066 567501039 /nfs/dbraw/zinc/50/10/39/567501039.db2.gz GGJBPWCLQRTLMI-UHFFFAOYSA-N 0 0 378.226 3.394 10 5 GGBERN COCC[C@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000503771854 567505490 /nfs/dbraw/zinc/50/54/90/567505490.db2.gz JFHSNFSSTXRNAA-ZDUSSCGKSA-N 0 0 388.829 3.206 10 5 GGBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000594750189 567506329 /nfs/dbraw/zinc/50/63/29/567506329.db2.gz DXPCWACIHHTRMA-CYBMUJFWSA-N 0 0 381.841 3.039 10 5 GGBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000594768141 567510533 /nfs/dbraw/zinc/51/05/33/567510533.db2.gz SZISPKICFYWCMZ-UHFFFAOYSA-N 0 0 381.841 3.212 10 5 GGBERN CC(=O)c1cc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1F ZINC000479163265 567511637 /nfs/dbraw/zinc/51/16/37/567511637.db2.gz SVXHMTMBQNUXNN-UHFFFAOYSA-N 0 0 380.325 3.077 10 5 GGBERN C[C@@H]1COC2(CCC2)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000594828662 567517829 /nfs/dbraw/zinc/51/78/29/567517829.db2.gz UNWMTVVTLWGBFX-SECBINFHSA-N 0 0 395.264 3.234 10 5 GGBERN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1O ZINC000458051837 567517916 /nfs/dbraw/zinc/51/79/16/567517916.db2.gz ZBFGSPUINXIVLK-OCCSQVGLSA-N 0 0 382.825 3.313 10 5 GGBERN C[C@@]1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1(F)F ZINC000594857680 567520417 /nfs/dbraw/zinc/52/04/17/567520417.db2.gz NWHWIAFCANNLFF-LLVKDONJSA-N 0 0 388.314 3.327 10 5 GGBERN C[C@@]1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(F)F ZINC000594856527 567521300 /nfs/dbraw/zinc/52/13/00/567521300.db2.gz HEQYKXNVFULOST-LLVKDONJSA-N 0 0 399.213 3.071 10 5 GGBERN C[C@]1(CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(F)F ZINC000594858981 567522789 /nfs/dbraw/zinc/52/27/89/567522789.db2.gz WQYIRHNHKJPXFD-NSHDSACASA-N 0 0 399.213 3.071 10 5 GGBERN C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594868896 567522907 /nfs/dbraw/zinc/52/29/07/567522907.db2.gz XDIUYIPVCVWTMW-BDAKNGLRSA-N 0 0 383.253 3.090 10 5 GGBERN O=C(COc1ccc(Br)cc1)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000594896004 567524172 /nfs/dbraw/zinc/52/41/72/567524172.db2.gz RYDLYXSGRWDVES-UHFFFAOYSA-N 0 0 380.198 3.079 10 5 GGBERN CO[C@H](COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594898350 567524314 /nfs/dbraw/zinc/52/43/14/567524314.db2.gz OHZOWSREJWYOPL-MEBBXXQBSA-N 0 0 397.225 3.336 10 5 GGBERN NC(=O)c1ccccc1CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551664222 567527186 /nfs/dbraw/zinc/52/71/86/567527186.db2.gz KMPSXKIJHCUTJY-UHFFFAOYSA-N 0 0 392.209 3.028 10 5 GGBERN C[C@@H](NC(=O)c1cccs1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551668437 567527755 /nfs/dbraw/zinc/52/77/55/567527755.db2.gz RKRVCLQSZYLKEA-MRVPVSSYSA-N 0 0 398.238 3.176 10 5 GGBERN CC(=O)Nc1ccccc1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551668893 567528202 /nfs/dbraw/zinc/52/82/02/567528202.db2.gz XVQWANPGEQKXNO-UHFFFAOYSA-N 0 0 392.209 3.497 10 5 GGBERN Nc1c(C(=O)N[C@H]2CCOc3c(Br)cccc32)cccc1[N+](=O)[O-] ZINC000504332677 567530937 /nfs/dbraw/zinc/53/09/37/567530937.db2.gz VPRNKTXKFKLCKT-LBPRGKRZSA-N 0 0 392.209 3.193 10 5 GGBERN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458311629 567540338 /nfs/dbraw/zinc/54/03/38/567540338.db2.gz AXKXYVASGIECGD-QWRGUYRKSA-N 0 0 375.372 3.132 10 5 GGBERN O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000551882215 567541189 /nfs/dbraw/zinc/54/11/89/567541189.db2.gz WOCIYEXYFNPLIO-AWEZNQCLSA-N 0 0 377.198 3.028 10 5 GGBERN CSc1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000595295904 567551719 /nfs/dbraw/zinc/55/17/19/567551719.db2.gz HJCXJIRBNJYKGS-UHFFFAOYSA-N 0 0 377.491 3.336 10 5 GGBERN Cc1ccc(Br)cc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000438889355 567551765 /nfs/dbraw/zinc/55/17/65/567551765.db2.gz ZFQNUWHYZLNXPG-UHFFFAOYSA-N 0 0 391.268 3.206 10 5 GGBERN C[C@@H](NC(=O)c1c(Cl)cccc1S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000438936538 567554756 /nfs/dbraw/zinc/55/47/56/567554756.db2.gz LFLNKUDFZKOICP-SNVBAGLBSA-N 0 0 382.825 3.143 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595352244 567557457 /nfs/dbraw/zinc/55/74/57/567557457.db2.gz ARRPWAALBAFGLK-HOTGVXAUSA-N 0 0 384.479 3.001 10 5 GGBERN COc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000595357679 567558254 /nfs/dbraw/zinc/55/82/54/567558254.db2.gz SGJOJNNQUOVTGC-UHFFFAOYSA-N 0 0 382.825 3.398 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(Cl)c1 ZINC000595380661 567560945 /nfs/dbraw/zinc/56/09/45/567560945.db2.gz RJJOMYZCMSUBAD-APHBMKBZSA-N 0 0 382.800 3.004 10 5 GGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)ccc(Br)c1F ZINC000552131878 567561620 /nfs/dbraw/zinc/56/16/20/567561620.db2.gz DOISTRFGPFMWBI-UHFFFAOYSA-N 0 0 397.135 3.186 10 5 GGBERN C[C@H](NC(=O)c1cn2ccc(Br)cc2n1)c1ccccc1[N+](=O)[O-] ZINC000552140166 567564005 /nfs/dbraw/zinc/56/40/05/567564005.db2.gz SLIURDATXHOWEI-JTQLQIEISA-N 0 0 389.209 3.496 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 ZINC000439108847 567565308 /nfs/dbraw/zinc/56/53/08/567565308.db2.gz NMVVYJNGIDHDTE-UHFFFAOYSA-N 0 0 382.825 3.237 10 5 GGBERN CC(C)(C)OC(=O)C1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000571572812 567571957 /nfs/dbraw/zinc/57/19/57/567571957.db2.gz POSRFVXHPUVZNU-UHFFFAOYSA-N 0 0 385.214 3.418 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000439225217 567573348 /nfs/dbraw/zinc/57/33/48/567573348.db2.gz RDBNBYHRNNZONX-UWVGGRQHSA-N 0 0 391.287 3.475 10 5 GGBERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595627124 567575165 /nfs/dbraw/zinc/57/51/65/567575165.db2.gz NCJKLTXWICLIKT-MNOVXSKESA-N 0 0 380.750 3.422 10 5 GGBERN Cc1noc(CN2CCOC[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000595757158 567579893 /nfs/dbraw/zinc/57/98/93/567579893.db2.gz AUEWTTFIAQZGAN-CYBMUJFWSA-N 0 0 382.214 3.227 10 5 GGBERN COC(=O)c1cccc(CNc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000571715346 567583279 /nfs/dbraw/zinc/58/32/79/567583279.db2.gz LLYQULRGAUSEND-UHFFFAOYSA-N 0 0 380.198 3.459 10 5 GGBERN O=C(COCCOc1ccccc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552400030 567586853 /nfs/dbraw/zinc/58/68/53/567586853.db2.gz WNVVAVKPELCALJ-UHFFFAOYSA-N 0 0 395.209 3.391 10 5 GGBERN O=C(Cc1ccc2c[nH]nc2c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552397989 567586993 /nfs/dbraw/zinc/58/69/93/567586993.db2.gz CXIGKWWAWSOTAV-UHFFFAOYSA-N 0 0 375.182 3.415 10 5 GGBERN O=C(N[C@H](CO)c1ccsc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505597170 567587564 /nfs/dbraw/zinc/58/75/64/567587564.db2.gz QPCTTXANTYKYMF-CYBMUJFWSA-N 0 0 375.431 3.243 10 5 GGBERN Cc1c(Br)cc(C(=O)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000505606299 567587586 /nfs/dbraw/zinc/58/75/86/567587586.db2.gz GUDLCBYRHMMKMO-LBPRGKRZSA-N 0 0 385.239 3.191 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[nH]nc1-c1cccnc1 ZINC000552398217 567587661 /nfs/dbraw/zinc/58/76/61/567587661.db2.gz HGBFZWDSNWNVPK-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN Cn1ncc2c1CC(C)(C)CN(c1ncc([N+](=O)[O-])cc1Br)C2 ZINC000596000884 567597729 /nfs/dbraw/zinc/59/77/29/567597729.db2.gz IRVAOPXWWLLSDW-UHFFFAOYSA-N 0 0 380.246 3.075 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCCc2n[nH]cc2C1 ZINC000596003769 567598115 /nfs/dbraw/zinc/59/81/15/567598115.db2.gz VXIYEQFPOIGVTB-UHFFFAOYSA-N 0 0 380.202 3.061 10 5 GGBERN COc1cccc([N+](=O)[O-])c1N1CCN(c2ccc(Br)cn2)CC1 ZINC000571938409 567600493 /nfs/dbraw/zinc/60/04/93/567600493.db2.gz FGDJDYHZLJVTMU-UHFFFAOYSA-N 0 0 393.241 3.088 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000596058990 567605392 /nfs/dbraw/zinc/60/53/92/567605392.db2.gz SXBNMCPSNSNWLU-INIZCTEOSA-N 0 0 381.841 3.459 10 5 GGBERN CCc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000552732550 567606059 /nfs/dbraw/zinc/60/60/59/567606059.db2.gz CVVKRSVLTMRGIZ-SECBINFHSA-N 0 0 379.214 3.201 10 5 GGBERN C[C@H](Oc1cccc(CO)c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552743470 567606425 /nfs/dbraw/zinc/60/64/25/567606425.db2.gz OIPLVGWWXLAFEL-JTQLQIEISA-N 0 0 395.209 3.256 10 5 GGBERN O=[N+]([O-])c1cccc(Br)c1N[C@H]1CCCN(c2ncccn2)C1 ZINC000596080478 567607138 /nfs/dbraw/zinc/60/71/38/567607138.db2.gz FQJJJWZSEYRLNN-NSHDSACASA-N 0 0 378.230 3.228 10 5 GGBERN O=[N+]([O-])c1cncc(Cl)c1N1CCN(c2ccc(Br)cn2)CC1 ZINC000596075558 567607211 /nfs/dbraw/zinc/60/72/11/567607211.db2.gz HDIZLZWDXNDTLT-UHFFFAOYSA-N 0 0 398.648 3.127 10 5 GGBERN C[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)N(C)CC(F)(F)F ZINC000552744011 567607293 /nfs/dbraw/zinc/60/72/93/567607293.db2.gz XBEMOTNNJZQTEY-ZETCQYMHSA-N 0 0 384.152 3.178 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439930779 567608394 /nfs/dbraw/zinc/60/83/94/567608394.db2.gz FKGCCETZRFNSKZ-VXGBXAGGSA-N 0 0 383.242 3.246 10 5 GGBERN O=C([C@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000596121038 567610491 /nfs/dbraw/zinc/61/04/91/567610491.db2.gz IUXPYFKBYLSIEC-LBPRGKRZSA-N 0 0 382.258 3.196 10 5 GGBERN Cn1cc(N2CCC[C@H](Nc3c(Br)cccc3[N+](=O)[O-])C2)cn1 ZINC000596143230 567611421 /nfs/dbraw/zinc/61/14/21/567611421.db2.gz ZXRKXEXEDTWIEA-NSHDSACASA-N 0 0 380.246 3.172 10 5 GGBERN COc1cc(NCc2ccccc2CS(C)(=O)=O)c(Cl)cc1[N+](=O)[O-] ZINC000596153025 567613197 /nfs/dbraw/zinc/61/31/97/567613197.db2.gz FOTRYSWAUVSYBO-UHFFFAOYSA-N 0 0 384.841 3.414 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N3CCc4cc(Br)cc(F)c4C3)nn21 ZINC000552831175 567613314 /nfs/dbraw/zinc/61/33/14/567613314.db2.gz QETIBIKWVFAXLR-UHFFFAOYSA-N 0 0 392.188 3.102 10 5 GGBERN CS(=O)(=O)N(CCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000440089926 567615265 /nfs/dbraw/zinc/61/52/65/567615265.db2.gz FWTZZDWCKSWZGQ-UHFFFAOYSA-N 0 0 399.266 3.366 10 5 GGBERN CNC(=O)c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2)c1Br ZINC000506217784 567615729 /nfs/dbraw/zinc/61/57/29/567615729.db2.gz GHYDVQMEBZOMRR-UHFFFAOYSA-N 0 0 394.225 3.338 10 5 GGBERN CCN1C(=O)N=NC1C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596233089 567617072 /nfs/dbraw/zinc/61/70/72/567617072.db2.gz WZYZKMRQHMDCRO-UHFFFAOYSA-N 0 0 396.245 3.058 10 5 GGBERN COc1cc(NC[C@H]2CS(=O)(=O)c3ccccc32)c(Cl)cc1[N+](=O)[O-] ZINC000596255729 567618420 /nfs/dbraw/zinc/61/84/20/567618420.db2.gz RVJQRXHLLNKQOJ-JTQLQIEISA-N 0 0 382.825 3.240 10 5 GGBERN Cc1c(Br)c(NCc2cc(C(F)(F)F)on2)ncc1[N+](=O)[O-] ZINC000596255433 567618898 /nfs/dbraw/zinc/61/88/98/567618898.db2.gz YCEGBYAVKKYNAZ-UHFFFAOYSA-N 0 0 381.108 3.102 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1OCCO[C@H]1CC1(F)F ZINC000596269533 567620076 /nfs/dbraw/zinc/62/00/76/567620076.db2.gz DMCSTTMJGRGLJN-JTQLQIEISA-N 0 0 385.104 3.002 10 5 GGBERN Cc1cc(NCCC2(CS(C)(=O)=O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000596315709 567623008 /nfs/dbraw/zinc/62/30/08/567623008.db2.gz FRXTWUGQXHGNMA-UHFFFAOYSA-N 0 0 391.287 3.293 10 5 GGBERN O=[N+]([O-])c1cc2c(ncnc2NCCc2csc(N3CCCC3)n2)s1 ZINC000553082138 567625650 /nfs/dbraw/zinc/62/56/50/567625650.db2.gz SBLXGEYYGDWPCA-UHFFFAOYSA-N 0 0 376.467 3.311 10 5 GGBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000596368617 567627462 /nfs/dbraw/zinc/62/74/62/567627462.db2.gz LKRIWNFPRXDAMG-UTUOFQBUSA-N 0 0 388.262 3.039 10 5 GGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000506509836 567627734 /nfs/dbraw/zinc/62/77/34/567627734.db2.gz GDFBJACKVREIHO-CQSZACIVSA-N 0 0 378.372 3.236 10 5 GGBERN CN(C)S(=O)(=O)c1ccc(CSCc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000596377586 567628393 /nfs/dbraw/zinc/62/83/93/567628393.db2.gz YPEWFCWLTUKUHU-UHFFFAOYSA-N 0 0 390.483 3.479 10 5 GGBERN COC[C@H](CSCc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000596391516 567629166 /nfs/dbraw/zinc/62/91/66/567629166.db2.gz CATDOYLJDKDPAP-GFCCVEGCSA-N 0 0 397.234 3.094 10 5 GGBERN COCCN([C@@H]1CC[C@H](C)C1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000480776900 567629835 /nfs/dbraw/zinc/62/98/35/567629835.db2.gz HABZIHRMTJNBDN-WCQYABFASA-N 0 0 390.889 3.382 10 5 GGBERN CO[C@H]1C[C@@H](N(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000553177444 567633370 /nfs/dbraw/zinc/63/33/70/567633370.db2.gz CAVKZVHXPSNXDI-PHIMTYICSA-N 0 0 378.372 3.342 10 5 GGBERN C[C@]12COC[C@H]1CN(c1c3cc(Br)ccc3ncc1[N+](=O)[O-])C2 ZINC000596482483 567635812 /nfs/dbraw/zinc/63/58/12/567635812.db2.gz KTRKYRDITINACD-HWPZZCPQSA-N 0 0 378.226 3.378 10 5 GGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000596471633 567635928 /nfs/dbraw/zinc/63/59/28/567635928.db2.gz ZYFJFVIKXTYJOU-ZDUSSCGKSA-N 0 0 396.266 3.414 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(NC[C@]2(C)CC2(F)F)c([N+](=O)[O-])c1 ZINC000596478890 567636246 /nfs/dbraw/zinc/63/62/46/567636246.db2.gz TZZZEIMGDCZEGF-AWEZNQCLSA-N 0 0 377.413 3.083 10 5 GGBERN Cc1c(Br)c(NCC2(O)CCC(F)(F)CC2)ncc1[N+](=O)[O-] ZINC000596527274 567638384 /nfs/dbraw/zinc/63/83/84/567638384.db2.gz AZSHXWYWNWFVDD-UHFFFAOYSA-N 0 0 380.189 3.413 10 5 GGBERN Cc1c(Br)c(NCC2(CC(N)=O)CCCCC2)ncc1[N+](=O)[O-] ZINC000596541139 567638717 /nfs/dbraw/zinc/63/87/17/567638717.db2.gz BQBHOUQFIRIVRZ-UHFFFAOYSA-N 0 0 385.262 3.299 10 5 GGBERN Cc1cc(N2CCC[C@@H](C(=O)NC(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596536293 567638769 /nfs/dbraw/zinc/63/87/69/567638769.db2.gz PESCRFHOXBDJJW-GFCCVEGCSA-N 0 0 384.274 3.407 10 5 GGBERN O=C1N(CCNc2ccc([N+](=O)[O-])cc2Br)C[C@H]2CCCCN12 ZINC000596535502 567638864 /nfs/dbraw/zinc/63/88/64/567638864.db2.gz SDGUTRJNJVTQRD-GFCCVEGCSA-N 0 0 383.246 3.059 10 5 GGBERN CCOC(=O)Cc1csc(Sc2ncnc3sc([N+](=O)[O-])cc32)n1 ZINC000553248096 567638896 /nfs/dbraw/zinc/63/88/96/567638896.db2.gz CHYVOOCEBJMERO-UHFFFAOYSA-N 0 0 382.448 3.313 10 5 GGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCOc2cc(Br)ccc2C1 ZINC000596552831 567639190 /nfs/dbraw/zinc/63/91/90/567639190.db2.gz NHYGRGGLGINLDI-UHFFFAOYSA-N 0 0 381.230 3.281 10 5 GGBERN COC(=O)c1sc2c(c1Br)CN(c1cc(C)c([N+](=O)[O-])cn1)C2 ZINC000596565368 567640048 /nfs/dbraw/zinc/64/00/48/567640048.db2.gz GRSDQEMBAWFUBK-UHFFFAOYSA-N 0 0 398.238 3.429 10 5 GGBERN C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000596553735 567640234 /nfs/dbraw/zinc/64/02/34/567640234.db2.gz HBUHGQGICPDTEF-HTQZYQBOSA-N 0 0 384.152 3.298 10 5 GGBERN COC(=O)c1sc2c(c1Br)CN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC000596564876 567640370 /nfs/dbraw/zinc/64/03/70/567640370.db2.gz CYRLUNDEZOKRHW-UHFFFAOYSA-N 0 0 398.238 3.429 10 5 GGBERN COC(=O)c1c(Cl)c(N2CCO[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596559159 567640564 /nfs/dbraw/zinc/64/05/64/567640564.db2.gz XOCWVJSUCCBNGL-MRVPVSSYSA-N 0 0 382.722 3.192 10 5 GGBERN Cc1c(Br)c(N2C[C@H](C)O[C@](C)(C(F)F)C2)ncc1[N+](=O)[O-] ZINC000596572977 567641597 /nfs/dbraw/zinc/64/15/97/567641597.db2.gz JCAXLTOGWXMGAO-CPFSXVBKSA-N 0 0 380.189 3.310 10 5 GGBERN Cc1c(Br)c(N2C[C@H](C)O[C@@](C)(C(F)F)C2)ncc1[N+](=O)[O-] ZINC000596572983 567641604 /nfs/dbraw/zinc/64/16/04/567641604.db2.gz JCAXLTOGWXMGAO-WPPNPWJKSA-N 0 0 380.189 3.310 10 5 GGBERN COCCC1(C)CN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000459630955 567644645 /nfs/dbraw/zinc/64/46/45/567644645.db2.gz HJDIRNVYNZIGDS-UHFFFAOYSA-N 0 0 390.221 3.058 10 5 GGBERN O=C(Nc1nc2ccccc2c(=O)[nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000531185162 567645607 /nfs/dbraw/zinc/64/56/07/567645607.db2.gz XWBCNBMWDMIOLT-UHFFFAOYSA-N 0 0 389.165 3.258 10 5 GGBERN CNC(=O)C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000481093799 567658712 /nfs/dbraw/zinc/65/87/12/567658712.db2.gz QMGANIWKWOZSLN-ZDUSSCGKSA-N 0 0 379.214 3.042 10 5 GGBERN CCOC(=O)CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000441295808 567660706 /nfs/dbraw/zinc/66/07/06/567660706.db2.gz LPZTVSXVFFZGDI-UHFFFAOYSA-N 0 0 393.259 3.223 10 5 GGBERN Cc1c(NC(=O)N2CCc3nccnc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000596887630 567662114 /nfs/dbraw/zinc/66/21/14/567662114.db2.gz GYHOXLSVEQBQNE-UHFFFAOYSA-N 0 0 392.213 3.046 10 5 GGBERN Cc1c(NC(=O)N2C[C@H]3COC[C@]3(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596888062 567662430 /nfs/dbraw/zinc/66/24/30/567662430.db2.gz LRKMIPQJXFEBQF-BONVTDFDSA-N 0 0 384.230 3.166 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000531532627 567665035 /nfs/dbraw/zinc/66/50/35/567665035.db2.gz BCAUVEBBPMJYLT-UHFFFAOYSA-N 0 0 384.454 3.384 10 5 GGBERN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000572786024 567665513 /nfs/dbraw/zinc/66/55/13/567665513.db2.gz IUCKUJNTBCGXRY-UHFFFAOYSA-N 0 0 376.210 3.359 10 5 GGBERN COc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1OC ZINC000531626919 567670275 /nfs/dbraw/zinc/67/02/75/567670275.db2.gz BPACEKZMQBUDCZ-UHFFFAOYSA-N 0 0 382.170 3.022 10 5 GGBERN CN(C(=O)[C@H]1CCc2cc(Br)ccc21)c1ccc([N+](=O)[O-])nc1 ZINC000572843924 567670368 /nfs/dbraw/zinc/67/03/68/567670368.db2.gz UEHMISZHQHPGBD-AWEZNQCLSA-N 0 0 376.210 3.445 10 5 GGBERN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531633588 567670563 /nfs/dbraw/zinc/67/05/63/567670563.db2.gz DNNFXMRZWPBQAF-UHFFFAOYSA-N 0 0 383.191 3.007 10 5 GGBERN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531632884 567670582 /nfs/dbraw/zinc/67/05/82/567670582.db2.gz QYHOIHYOCGPNPY-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN CCc1nc(C(C)(C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000441697598 567672702 /nfs/dbraw/zinc/67/27/02/567672702.db2.gz HAYJHSOUBYBCBM-UHFFFAOYSA-N 0 0 384.845 3.337 10 5 GGBERN C[C@](O)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000481344296 567672847 /nfs/dbraw/zinc/67/28/47/567672847.db2.gz WNBQWLJTRVABPV-INIZCTEOSA-N 0 0 385.258 3.418 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)n1 ZINC000507700582 567699355 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GGBERN COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000599162830 567807999 /nfs/dbraw/zinc/80/79/99/567807999.db2.gz HCIRAIHNHGMKTB-QMTHXVAHSA-N 0 0 387.230 3.128 10 5 GGBERN COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000599164947 567808678 /nfs/dbraw/zinc/80/86/78/567808678.db2.gz MOERDGNREOFPBK-GXFFZTMASA-N 0 0 387.230 3.128 10 5 GGBERN Cc1cc(Br)ccc1[C@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000599174035 567808756 /nfs/dbraw/zinc/80/87/56/567808756.db2.gz ITZUPHUJVTWZLZ-GFCCVEGCSA-N 0 0 378.230 3.210 10 5 GGBERN Cc1cc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599166835 567808804 /nfs/dbraw/zinc/80/88/04/567808804.db2.gz HTUBIGXGRFDGRV-MNOVXSKESA-N 0 0 378.372 3.078 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](CO)c3cccc(Br)c3)nc2c1 ZINC000444675618 567810855 /nfs/dbraw/zinc/81/08/55/567810855.db2.gz RXDDMQWRCQSZOP-OAHLLOKOSA-N 0 0 391.225 3.057 10 5 GGBERN Cc1ccc(OC[C@H](O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000534419111 567810949 /nfs/dbraw/zinc/81/09/49/567810949.db2.gz IDDMOUUYCJZMGU-ZDUSSCGKSA-N 0 0 382.210 3.484 10 5 GGBERN CC(C)NC(=O)N(C)c1ccc(Oc2ncc([N+](=O)[O-])c(NC3CC3)n2)cc1 ZINC000048273623 570226273 /nfs/dbraw/zinc/22/62/73/570226273.db2.gz OPABTFJYOOLLJD-UHFFFAOYSA-N 0 0 386.412 3.306 10 5 GGBERN CCc1onc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006087479 570240803 /nfs/dbraw/zinc/24/08/03/570240803.db2.gz AQUJSSNRRMLTMZ-SECBINFHSA-N 0 0 381.772 3.291 10 5 GGBERN O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117235156 570265932 /nfs/dbraw/zinc/26/59/32/570265932.db2.gz WLQCCVLDICUAER-JSGCOSHPSA-N 0 0 383.326 3.287 10 5 GGBERN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117235158 570265935 /nfs/dbraw/zinc/26/59/35/570265935.db2.gz WLQCCVLDICUAER-TZMCWYRMSA-N 0 0 383.326 3.287 10 5 GGBERN COc1ccc(CCN(C)C(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000024732984 570287132 /nfs/dbraw/zinc/28/71/32/570287132.db2.gz XUOQHGLUDLKCMO-UHFFFAOYSA-N 0 0 388.420 3.000 10 5 GGBERN COC(=O)C1=C2CCC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@@H]4[C@@]2(C)[C@@H](C[N@@+]4([O-])C[C@H]1C)CC3 ZINC000252489960 570287801 /nfs/dbraw/zinc/28/78/01/570287801.db2.gz KGESJSJJGMUDSQ-KDKDKDDWSA-N 0 0 383.488 3.288 10 5 biogenic GGBERN COC(=O)C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000010738777 570288826 /nfs/dbraw/zinc/28/88/26/570288826.db2.gz VBAONSCRGDQBKR-KRWDZBQOSA-N 0 0 397.431 3.229 10 5 GGBERN COC(=O)c1cc(C)nc(NCCc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000225821616 570322366 /nfs/dbraw/zinc/32/23/66/570322366.db2.gz CZHIUNMGVBQXJS-UHFFFAOYSA-N 0 0 390.343 3.215 10 5 GGBERN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000006236926 570346017 /nfs/dbraw/zinc/34/60/17/570346017.db2.gz LFGXYKBXJVWMHB-UHFFFAOYSA-N 0 0 399.491 3.378 10 5 GGBERN CC1=Nc2ncnn2[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCc1ccccc1 ZINC000004879334 570354227 /nfs/dbraw/zinc/35/42/27/570354227.db2.gz FMRJPYGPKIJJNC-SFHVURJKSA-N 0 0 391.387 3.219 10 5 GGBERN Cc1ccccc1-n1c(=O)c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC000004905674 570362419 /nfs/dbraw/zinc/36/24/19/570362419.db2.gz ZLUJEDPRWWDXFZ-UHFFFAOYSA-N 0 0 387.395 3.417 10 5 GGBERN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100488808 570372098 /nfs/dbraw/zinc/37/20/98/570372098.db2.gz CMZAXKMZGBVXGH-UHFFFAOYSA-N 0 0 376.281 3.062 10 5 GGBERN O=[N+]([O-])c1ccc([C@@H](O)CNC(=S)Nc2ccc(OC(F)F)cc2)cc1 ZINC000006332207 570393801 /nfs/dbraw/zinc/39/38/01/570393801.db2.gz QYJVXRZZKLYMEL-AWEZNQCLSA-N 0 0 383.376 3.216 10 5 GGBERN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccccc1[N+](=O)[O-] ZINC000005139983 570425383 /nfs/dbraw/zinc/42/53/83/570425383.db2.gz SNAIPMHXKHESJH-UHFFFAOYSA-N 0 0 378.388 3.283 10 5 GGBERN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1cc([N+](=O)[O-])ccc1F ZINC000005140265 570425401 /nfs/dbraw/zinc/42/54/01/570425401.db2.gz NWGZTYBDGHMAFP-UHFFFAOYSA-N 0 0 396.378 3.423 10 5 GGBERN Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1 ZINC000006465344 570442302 /nfs/dbraw/zinc/44/23/02/570442302.db2.gz XVHYBZZELQJANA-CQSZACIVSA-N 0 0 386.404 3.044 10 5 GGBERN CC[C@H](C)N1Cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2OCC1=O ZINC000035885638 570471921 /nfs/dbraw/zinc/47/19/21/570471921.db2.gz TUUDTTRNSZTWJC-ZDUSSCGKSA-N 0 0 383.404 3.367 10 5 GGBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC(c2nnc3ccccn32)CC1 ZINC000024326250 570507003 /nfs/dbraw/zinc/50/70/03/570507003.db2.gz CZHBCHGYMABJOO-CMDGGOBGSA-N 0 0 377.404 3.057 10 5 GGBERN C[C@H]1CCCN(c2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)cc2[N+](=O)[O-])C1 ZINC000006657418 570520403 /nfs/dbraw/zinc/52/04/03/570520403.db2.gz DNWOAARLKRQULP-ZDUSSCGKSA-N 0 0 379.420 3.382 10 5 GGBERN COc1cccc(Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1 ZINC000006762253 570575919 /nfs/dbraw/zinc/57/59/19/570575919.db2.gz IHFONTQXNMOZJD-UHFFFAOYSA-N 0 0 378.406 3.180 10 5 GGBERN O=[N+]([O-])c1ccc(Nc2nc(NC3CCCCC3)nc(N3CCOCC3)n2)cc1 ZINC000005590629 570665974 /nfs/dbraw/zinc/66/59/74/570665974.db2.gz SCNUEZLRJLDXFE-UHFFFAOYSA-N 0 0 399.455 3.105 10 5 GGBERN O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006883663 570678761 /nfs/dbraw/zinc/67/87/61/570678761.db2.gz FKPQTMRBUBGFBO-MDWZMJQESA-N 0 0 388.723 3.413 10 5 GGBERN CCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O ZINC000005785876 570690332 /nfs/dbraw/zinc/69/03/32/570690332.db2.gz HMSYLUJOKFWREY-UHFFFAOYSA-N 0 0 398.444 3.446 10 5 GGBERN O=C(COC(=O)c1csc2c1CCCC2)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000007016480 570742028 /nfs/dbraw/zinc/74/20/28/570742028.db2.gz DEDHLQAXHVOIRH-UHFFFAOYSA-N 0 0 378.381 3.470 10 5 GGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000025514812 570756912 /nfs/dbraw/zinc/75/69/12/570756912.db2.gz USPWFJXZYJSGPH-HNAYVOBHSA-N 0 0 384.436 3.178 10 5 GGBERN CCOC(=O)c1cc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000129275435 570757432 /nfs/dbraw/zinc/75/74/32/570757432.db2.gz ZDSHFQGGQPPOLA-SCLBCKFNSA-N 0 0 392.358 3.362 10 5 GGBERN COc1cc(OC)c(OC)cc1/C=C1/N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000004644388 570776246 /nfs/dbraw/zinc/77/62/46/570776246.db2.gz VBCZLIMTINYZLJ-VGOFMYFVSA-N 0 0 398.371 3.274 10 5 GGBERN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1 ZINC000007073932 570784961 /nfs/dbraw/zinc/78/49/61/570784961.db2.gz UAFLPBGZWXYFFG-JTQLQIEISA-N 0 0 376.340 3.020 10 5 GGBERN Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005943475 570807313 /nfs/dbraw/zinc/80/73/13/570807313.db2.gz RDUKODUHLAQOHN-UHFFFAOYSA-N 0 0 384.388 3.356 10 5 GGBERN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000005688489 570809852 /nfs/dbraw/zinc/80/98/52/570809852.db2.gz XHGJFFSKJWGYRZ-HNNXBMFYSA-N 0 0 385.420 3.011 10 5 GGBERN CC1CCN(c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000004668700 570813152 /nfs/dbraw/zinc/81/31/52/570813152.db2.gz YPQAROOTULDNFT-UHFFFAOYSA-N 0 0 381.498 3.252 10 5 GGBERN CSc1cccc(NC(=O)COC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 ZINC000004500735 570819838 /nfs/dbraw/zinc/81/98/38/570819838.db2.gz YYSQKCBIHAWWLA-UHFFFAOYSA-N 0 0 389.433 3.178 10 5 GGBERN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccncc3)n2Cc2ccco2)nc1 ZINC000012517102 570825788 /nfs/dbraw/zinc/82/57/88/570825788.db2.gz JBPBDMKDTWXAHW-UHFFFAOYSA-N 0 0 380.389 3.436 10 5 GGBERN COc1cc(CNc2ccc(N3C(=O)C[C@H](C)C3=O)cc2[N+](=O)[O-])cc(OC)c1 ZINC000004684316 570830132 /nfs/dbraw/zinc/83/01/32/570830132.db2.gz MBPJGOLCMXGJEO-LBPRGKRZSA-N 0 0 399.403 3.124 10 5 GGBERN COc1cccc(CCNc2ccc(N3C(=O)C[C@@H](C)C3=O)cc2[N+](=O)[O-])c1 ZINC000004684306 570830312 /nfs/dbraw/zinc/83/03/12/570830312.db2.gz XAOIGIFEMNZJGU-CYBMUJFWSA-N 0 0 383.404 3.157 10 5 GGBERN Cc1ccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)cc1 ZINC000012527275 570832044 /nfs/dbraw/zinc/83/20/44/570832044.db2.gz PNEOASJIFRDJJT-UHFFFAOYSA-N 0 0 379.420 3.275 10 5 GGBERN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([O-])cc1[N+](=O)[O-] ZINC000170595802 570853598 /nfs/dbraw/zinc/85/35/98/570853598.db2.gz UCWQMZPNDOEVOK-KRWDZBQOSA-N 0 0 383.448 3.285 10 5 GGBERN O=C(NCCc1ccccc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024481664 570878085 /nfs/dbraw/zinc/87/80/85/570878085.db2.gz SULXZCQLNYMCJS-CTNGQTDRSA-N 0 0 379.460 3.485 10 5 GGBERN CC(=O)c1ccc(N2CCC(C(=O)NCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000012608706 570889634 /nfs/dbraw/zinc/88/96/34/570889634.db2.gz ZAEJOUXRTSWZGE-UHFFFAOYSA-N 0 0 381.432 3.330 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000104239402 570898480 /nfs/dbraw/zinc/89/84/80/570898480.db2.gz DCYOIZABNOOFMO-HUUCEWRRSA-N 0 0 396.447 3.352 10 5 GGBERN Cn1cc([C@@H](CC(=O)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000106798159 570967769 /nfs/dbraw/zinc/96/77/69/570967769.db2.gz SGTZZIFKJVKVFY-IBGZPJMESA-N 0 0 393.443 3.467 10 5 GGBERN Cc1ccc([C@](O)(CCNC(=O)Nc2ccccc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000012740489 570985314 /nfs/dbraw/zinc/98/53/14/570985314.db2.gz WCDCSIYCSROQKZ-OAHLLOKOSA-N 0 0 387.314 3.458 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCN1CCCCCC1=O ZINC000045113491 570987732 /nfs/dbraw/zinc/98/77/32/570987732.db2.gz SRBACXBZEDSIBG-OAHLLOKOSA-N 0 0 376.457 3.090 10 5 GGBERN O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000012748236 570992061 /nfs/dbraw/zinc/99/20/61/570992061.db2.gz QRWOYFFIBYJKAH-UHFFFAOYSA-N 0 0 396.399 3.101 10 5 GGBERN O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000012748281 570992971 /nfs/dbraw/zinc/99/29/71/570992971.db2.gz PTCVSBPVSYCOHG-UHFFFAOYSA-N 0 0 396.399 3.101 10 5 GGBERN CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000240886254 571014259 /nfs/dbraw/zinc/01/42/59/571014259.db2.gz IOGPNJUARDHEFJ-FOIQADDNSA-N 0 0 389.452 3.248 10 5 GGBERN C[C@H](Cc1ccccc1F)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000054619957 1406787111 /nfs/dbraw/zinc/78/71/11/1406787111.db2.gz FEFDHJCCKRQHLB-OAHLLOKOSA-N 0 0 386.427 3.197 10 5 GGBERN O=C1CS[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1ccc(F)cc1F ZINC000002949904 1398322717 /nfs/dbraw/zinc/32/27/17/1398322717.db2.gz LPNKYNRIDGFMJR-INIZCTEOSA-N 0 0 380.328 3.380 10 5 GGBERN O=C(c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000003017530 1398324024 /nfs/dbraw/zinc/32/40/24/1398324024.db2.gz CGXUODNSKGLWMH-UHFFFAOYSA-N 0 0 394.836 3.317 10 5 GGBERN Cc1nnc2n1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H](C(=O)c1ccc(C)cc1)S2 ZINC000003270755 1398331456 /nfs/dbraw/zinc/33/14/56/1398331456.db2.gz BQYJONJSXAWBKD-SJLPKXTDSA-N 0 0 395.444 3.445 10 5 GGBERN Cc1nnc2n1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)c1ccc(C)cc1)S2 ZINC000003270760 1398331566 /nfs/dbraw/zinc/33/15/66/1398331566.db2.gz BQYJONJSXAWBKD-WMZOPIPTSA-N 0 0 395.444 3.445 10 5 GGBERN Cc1nn(CC(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)c(C)c1[N+](=O)[O-] ZINC000003393474 1398340966 /nfs/dbraw/zinc/34/09/66/1398340966.db2.gz ZRLGYJQODMMTOB-CYBMUJFWSA-N 0 0 384.392 3.012 10 5 GGBERN CCOC(=O)Cc1csc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000003433695 1398346079 /nfs/dbraw/zinc/34/60/79/1398346079.db2.gz DIODCWQQPKEMDJ-UHFFFAOYSA-N 0 0 396.446 3.316 10 5 GGBERN O=C(/C=C/c1ccccc1)OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003434858 1398346915 /nfs/dbraw/zinc/34/69/15/1398346915.db2.gz RNAZVZYNYYNCAB-RMKNXTFCSA-N 0 0 383.385 3.400 10 5 GGBERN COC[C@@H](C)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000004292623 1398389583 /nfs/dbraw/zinc/38/95/83/1398389583.db2.gz ZQFAVLVZGLPZEB-CYBMUJFWSA-N 0 0 380.473 3.279 10 5 GGBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004822106 1398403772 /nfs/dbraw/zinc/40/37/72/1398403772.db2.gz JQTVWDHUYIVZGV-AATRIKPKSA-N 0 0 384.432 3.236 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C=C/c1ccc(F)cc1 ZINC000005781918 1398477056 /nfs/dbraw/zinc/47/70/56/1398477056.db2.gz CXRFOZWEGIPAGX-DJTWPOEFSA-N 0 0 388.351 3.326 10 5 GGBERN COc1cc(C)c(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000006789496 1398567377 /nfs/dbraw/zinc/56/73/77/1398567377.db2.gz BVVZPLSEVSRWSJ-SNAWJCMRSA-N 0 0 386.360 3.301 10 5 GGBERN COc1cc(/C=C/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000007911977 1398771109 /nfs/dbraw/zinc/77/11/09/1398771109.db2.gz WDSSVHPPHSVIFG-CMDGGOBGSA-N 0 0 379.390 3.065 10 5 GGBERN Cc1cc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)ccc1[N+](=O)[O-] ZINC000008061598 1398798137 /nfs/dbraw/zinc/79/81/37/1398798137.db2.gz OYIZIDFRNWDBSO-UHFFFAOYSA-N 0 0 377.404 3.333 10 5 GGBERN O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000008075048 1398800081 /nfs/dbraw/zinc/80/00/81/1398800081.db2.gz CFNOKUNURJSCPR-UHFFFAOYSA-N 0 0 375.381 3.201 10 5 GGBERN O=[N+]([O-])c1c2nonc2c(Sc2nc3ccccc3s2)cc1NCCO ZINC000008672478 1398843622 /nfs/dbraw/zinc/84/36/22/1398843622.db2.gz PPYQSLDCNMIKJX-UHFFFAOYSA-N 0 0 389.418 3.296 10 5 GGBERN COc1ccccc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000008748723 1398845338 /nfs/dbraw/zinc/84/53/38/1398845338.db2.gz WJFDATRGEKZLEV-UHFFFAOYSA-N 0 0 394.387 3.458 10 5 GGBERN COc1ccccc1NC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008922219 1398848962 /nfs/dbraw/zinc/84/89/62/1398848962.db2.gz UALJZSROVWDKEP-SFHVURJKSA-N 0 0 396.403 3.212 10 5 GGBERN O=[N+]([O-])c1ccc(NCCNc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000009335634 1398856752 /nfs/dbraw/zinc/85/67/52/1398856752.db2.gz NZTRIFBOPGSEDU-UHFFFAOYSA-N 0 0 393.382 3.387 10 5 GGBERN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000009366701 1398857453 /nfs/dbraw/zinc/85/74/53/1398857453.db2.gz UIGQUIKKCRSRIW-UHFFFAOYSA-N 0 0 399.447 3.247 10 5 GGBERN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1ccc(F)c(F)c1 ZINC000010320971 1398886313 /nfs/dbraw/zinc/88/63/13/1398886313.db2.gz NXZMFYNYENPAGR-SECBINFHSA-N 0 0 393.298 3.072 10 5 GGBERN COc1cc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000022061595 1399434176 /nfs/dbraw/zinc/43/41/76/1399434176.db2.gz ZHLVXGPXPPTOQJ-KRWDZBQOSA-N 0 0 388.420 3.102 10 5 GGBERN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccnc(C)n2)cc1 ZINC000055839721 1407100347 /nfs/dbraw/zinc/10/03/47/1407100347.db2.gz DWZSTFJPULWBKA-UHFFFAOYSA-N 0 0 394.387 3.424 10 5 GGBERN CCOC(=O)c1cc(C(=O)NCc2cc(-c3ccccc3)no2)cc([N+](=O)[O-])c1 ZINC000045831071 1404217981 /nfs/dbraw/zinc/21/79/81/1404217981.db2.gz GXBPVZHNQYTLSD-UHFFFAOYSA-N 0 0 395.371 3.357 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cnn(Cc3ccccc3)c2)c1 ZINC000046701152 1404557850 /nfs/dbraw/zinc/55/78/50/1404557850.db2.gz GKSXIARSOCVHEA-UHFFFAOYSA-N 0 0 394.431 3.233 10 5 GGBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 ZINC000057406272 1407608656 /nfs/dbraw/zinc/60/86/56/1407608656.db2.gz FLBVWDPXNIZKGT-CQSZACIVSA-N 0 0 388.855 3.397 10 5 GGBERN CC(C)Cn1nc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2c1=O ZINC000057768079 1407713050 /nfs/dbraw/zinc/71/30/50/1407713050.db2.gz AHGUHYSYYQWRJJ-UHFFFAOYSA-N 0 0 380.404 3.237 10 5 GGBERN CNC(=O)C1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000063282335 1408328516 /nfs/dbraw/zinc/32/85/16/1408328516.db2.gz DLUWNNPOCHYKCI-UHFFFAOYSA-N 0 0 390.318 3.239 10 5 GGBERN Cc1ccn2cc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])nc2c1 ZINC000068360650 1409378151 /nfs/dbraw/zinc/37/81/51/1409378151.db2.gz DVNKNZHCUFNRES-LBPRGKRZSA-N 0 0 388.811 3.288 10 5 GGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1csc(N2CCCCC2)n1 ZINC000078976463 1409946864 /nfs/dbraw/zinc/94/68/64/1409946864.db2.gz VIVUTASAHBRWNM-UHFFFAOYSA-N 0 0 375.454 3.360 10 5 GGBERN CCC(=O)N(C)[C@H](c1nnnn1-c1c(C)cccc1C)c1ccc([N+](=O)[O-])cc1 ZINC000096582046 1410333764 /nfs/dbraw/zinc/33/37/64/1410333764.db2.gz RAXBAMMVYFNJEX-IBGZPJMESA-N 0 0 394.435 3.145 10 5 GGBERN COC(=O)c1ccc(C)c(NC(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000096879053 1410336346 /nfs/dbraw/zinc/33/63/46/1410336346.db2.gz JLEBTNRGAQVVSN-WAYWQWQTSA-N 0 0 384.344 3.070 10 5 GGBERN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000096891886 1410337010 /nfs/dbraw/zinc/33/70/10/1410337010.db2.gz 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(c3ccc(O)cc3)CC2)c1C ZINC000158244054 1424205634 /nfs/dbraw/zinc/20/56/34/1424205634.db2.gz BXIWFRBPGQLIJF-UHFFFAOYSA-N 0 0 390.461 3.486 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000158248182 1424208072 /nfs/dbraw/zinc/20/80/72/1424208072.db2.gz BFXMSYNOJUCMKZ-UHFFFAOYSA-N 0 0 376.434 3.177 10 5 GGBERN COc1cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c([N+](=O)[O-])cc1OC ZINC000158601442 1424299404 /nfs/dbraw/zinc/29/94/04/1424299404.db2.gz BRZQGWULJWVTQA-UHFFFAOYSA-N 0 0 399.447 3.191 10 5 GGBERN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000160116709 1424575277 /nfs/dbraw/zinc/57/52/77/1424575277.db2.gz BJPQKLLOACVFFK-UHFFFAOYSA-N 0 0 397.362 3.004 10 5 GGBERN Cc1cccc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000170950487 1425411982 /nfs/dbraw/zinc/41/19/82/1425411982.db2.gz AOEWOWMBWSJDSZ-CQSZACIVSA-N 0 0 377.441 3.280 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 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393.403 3.101 10 5 GGBERN Cc1ccc(C2(c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)CCOCC2)cc1 ZINC000273844064 1435020713 /nfs/dbraw/zinc/02/07/13/1435020713.db2.gz FMTDWHDNQAJIHO-UHFFFAOYSA-N 0 0 380.404 3.369 10 5 GGBERN COc1ccc(CCCc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c(OC)c1 ZINC000273863930 1435023063 /nfs/dbraw/zinc/02/30/63/1435023063.db2.gz HCNPPAPASLFNIP-UHFFFAOYSA-N 0 0 384.392 3.156 10 5 GGBERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000275312859 1435130593 /nfs/dbraw/zinc/13/05/93/1435130593.db2.gz BSTIZGVVAWJZDL-ZFWWWQNUSA-N 0 0 378.816 3.115 10 5 GGBERN O=c1[nH]c(NCc2ccc(N3CCCCC3)nc2)nc2ccc([N+](=O)[O-])cc21 ZINC000280673570 1435701909 /nfs/dbraw/zinc/70/19/09/1435701909.db2.gz CUXXGLNLMJPQQB-UHFFFAOYSA-N 0 0 380.408 3.241 10 5 GGBERN CC(=O)Nc1cccc(NC(=O)[C@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282394311 1435845654 /nfs/dbraw/zinc/84/56/54/1435845654.db2.gz HCVOHSTXLICNKQ-AWEZNQCLSA-N 0 0 384.436 3.055 10 5 GGBERN COCCNC(=O)c1ccc(NCc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000283861407 1435939249 /nfs/dbraw/zinc/93/92/49/1435939249.db2.gz HQQIGPYIRHTPQC-UHFFFAOYSA-N 0 0 393.827 3.245 10 5 GGBERN COc1ccc(C[NH2+][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426761767 1126088826 /nfs/dbraw/zinc/08/88/26/1126088826.db2.gz DAILCQYXWXAYEG-AWEZNQCLSA-N 0 0 382.775 3.181 10 5 GGBERN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426769470 1126089451 /nfs/dbraw/zinc/08/94/51/1126089451.db2.gz JFHLPBPPQVFBSX-MRXNPFEDSA-N 0 0 387.367 3.009 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)nc2c1 ZINC001197298284 1126154094 /nfs/dbraw/zinc/15/40/94/1126154094.db2.gz WBKUEFYLEQLHAY-WBVHZDCISA-N 0 0 394.353 3.095 10 5 GGBERN O=[N+]([O-])c1cc(F)c(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(F)c1 ZINC001308038514 1126162743 /nfs/dbraw/zinc/16/27/43/1126162743.db2.gz MKAFXZVXEHBZIP-HOTGVXAUSA-N 0 0 390.308 3.497 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001648158867 1126250068 /nfs/dbraw/zinc/25/00/68/1126250068.db2.gz SLSYUZUTJBGUND-NVXWUHKLSA-N 0 0 384.354 3.228 10 5 GGBERN CCOC(=O)c1cnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1N ZINC000001037993 212208883 /nfs/dbraw/zinc/20/88/83/212208883.db2.gz OOCGEMVJVTUJDP-UHFFFAOYSA-N 0 0 388.327 3.314 10 5 GGBERN CC(C)(C)c1ccc(NC(=O)NC[C@H](O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001033885 212207740 /nfs/dbraw/zinc/20/77/40/212207740.db2.gz RCLOWKHWFMEMNL-KRWDZBQOSA-N 0 0 387.436 3.454 10 5 GGBERN O=C(NCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 ZINC000000850983 212190514 /nfs/dbraw/zinc/19/05/14/212190514.db2.gz HYPORYNNWVFEHU-AQTBWJFISA-N 0 0 391.383 3.275 10 5 GGBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccccc2)c(S(=O)(=O)N2CCCC2)c1 ZINC000089828066 212152282 /nfs/dbraw/zinc/15/22/82/212152282.db2.gz JEFHLQNAYHIBHP-FUHWJXTLSA-N 0 0 387.461 3.347 10 5 GGBERN CO[C@]1(C)C[C@@H]2[C@H](C[C@@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2(C)C ZINC000245297691 212134274 /nfs/dbraw/zinc/13/42/74/212134274.db2.gz WNNYYHMQXUVYGL-JTOWHCCKSA-N 0 0 378.381 3.500 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000016087448 212104756 /nfs/dbraw/zinc/10/47/56/212104756.db2.gz BYCVKQFRITUGAO-JTQLQIEISA-N 0 0 385.239 3.397 10 5 GGBERN O=c1c2sccc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1 ZINC000002466745 220537451 /nfs/dbraw/zinc/53/74/51/220537451.db2.gz RXRSZOGNOQTFTG-UHFFFAOYSA-N 0 0 379.397 3.170 10 5 GGBERN CCOC(=O)CSc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000003019993 220596597 /nfs/dbraw/zinc/59/65/97/220596597.db2.gz VJGSAKUMAHZSPO-CHWSQXEVSA-N 0 0 380.466 3.368 10 5 GGBERN CC(C)CCN1c2ccccc2[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000003231063 220611077 /nfs/dbraw/zinc/61/10/77/220611077.db2.gz WXMPSBZPTGFJLU-NRFANRHFSA-N 0 0 382.416 3.448 10 5 GGBERN COc1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000003340088 220631173 /nfs/dbraw/zinc/63/11/73/220631173.db2.gz CNFMMDIXCSRGGS-UHFFFAOYSA-N 0 0 381.287 3.245 10 5 GGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)Nc1ncc(Cl)cc1Cl ZINC000003282660 220621945 /nfs/dbraw/zinc/62/19/45/220621945.db2.gz OKNPVQAQCCZRKG-SNAWJCMRSA-N 0 0 396.186 3.492 10 5 GGBERN O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1 ZINC000004307375 220702632 /nfs/dbraw/zinc/70/26/32/220702632.db2.gz CMZXLBSXKSOFGY-UHFFFAOYSA-N 0 0 394.406 3.487 10 5 GGBERN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000004328998 220706506 /nfs/dbraw/zinc/70/65/06/220706506.db2.gz XOPOVZOMEQYTKA-UHFFFAOYSA-N 0 0 387.392 3.155 10 5 GGBERN COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(C)=O)CC2 ZINC000004659367 220742139 /nfs/dbraw/zinc/74/21/39/220742139.db2.gz MJVQBUPMZKMVAJ-SFHVURJKSA-N 0 0 386.404 3.137 10 5 GGBERN C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000004835504 220772830 /nfs/dbraw/zinc/77/28/30/220772830.db2.gz 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C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)C1 ZINC000007785392 221012541 /nfs/dbraw/zinc/01/25/41/221012541.db2.gz QZWRQUOYQCBNBA-CQSZACIVSA-N 0 0 390.465 3.023 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000008054696 221025109 /nfs/dbraw/zinc/02/51/09/221025109.db2.gz WTZHGTFHLNAQFB-UHFFFAOYSA-N 0 0 393.421 3.098 10 5 GGBERN COc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC ZINC000008175412 221029490 /nfs/dbraw/zinc/02/94/90/221029490.db2.gz VPWZNQDXYDBPLQ-UHFFFAOYSA-N 0 0 379.800 3.107 10 5 GGBERN O=C1c2ccccc2N[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1C[C@H]1CCCO1 ZINC000009118089 221070565 /nfs/dbraw/zinc/07/05/65/221070565.db2.gz PVZISDJWMUWUAV-BLVKFPJESA-N 0 0 397.387 3.069 10 5 GGBERN O=C1c2ccccc2N[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1C[C@@H]1CCCO1 ZINC000009118087 221070734 /nfs/dbraw/zinc/07/07/34/221070734.db2.gz PVZISDJWMUWUAV-BUXKBTBVSA-N 0 0 397.387 3.069 10 5 GGBERN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000009219397 221074964 /nfs/dbraw/zinc/07/49/64/221074964.db2.gz IXNLTMNQGOUOSP-INIZCTEOSA-N 0 0 394.383 3.369 10 5 GGBERN O=C(CSc1ncnc2ccccc21)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000009443428 221081439 /nfs/dbraw/zinc/08/14/39/221081439.db2.gz YRIMLFCBEWZYPC-UHFFFAOYSA-N 0 0 385.361 3.177 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000010347138 221101534 /nfs/dbraw/zinc/10/15/34/221101534.db2.gz YEKLPMHQDYLCIZ-UHFFFAOYSA-N 0 0 380.404 3.126 10 5 GGBERN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2ccccc2)cc1 ZINC000010452772 221103999 /nfs/dbraw/zinc/10/39/99/221103999.db2.gz TVYOLAJEHPYTGK-OAHLLOKOSA-N 0 0 377.400 3.301 10 5 GGBERN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000010684141 221106187 /nfs/dbraw/zinc/10/61/87/221106187.db2.gz NWQPRLYVTGJIJP-NSHDSACASA-N 0 0 386.364 3.284 10 5 GGBERN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000012526652 221202339 /nfs/dbraw/zinc/20/23/39/221202339.db2.gz 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C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000012798597 221233887 /nfs/dbraw/zinc/23/38/87/221233887.db2.gz FFMNPQRIUPYHRY-CQSZACIVSA-N 0 0 395.415 3.077 10 5 GGBERN CC(=O)N1CCc2cc(NC(=O)COc3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000012747556 221224067 /nfs/dbraw/zinc/22/40/67/221224067.db2.gz ISIUSQILHAEMBO-UHFFFAOYSA-N 0 0 389.795 3.175 10 5 GGBERN CCn1c2ccccc2n(CCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1=O ZINC000012767530 221229298 /nfs/dbraw/zinc/22/92/98/221229298.db2.gz GCKGWFBKCITYHP-HNNXBMFYSA-N 0 0 396.447 3.341 10 5 GGBERN CC(=O)N1CCc2cc(NC(=O)CNc3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC000012777218 221230017 /nfs/dbraw/zinc/23/00/17/221230017.db2.gz DSFFJSNFFUYJMH-UHFFFAOYSA-N 0 0 388.811 3.208 10 5 GGBERN CC(=O)N[C@H](CC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000012777387 221230036 /nfs/dbraw/zinc/23/00/36/221230036.db2.gz PDIVQFDDALUFCR-MLGOLLRUSA-N 0 0 375.450 3.443 10 5 GGBERN CC(=O)N[C@@H](CC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000012777397 221230481 /nfs/dbraw/zinc/23/04/81/221230481.db2.gz PDIVQFDDALUFCR-WBMJQRKESA-N 0 0 375.450 3.443 10 5 GGBERN CNc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000012808719 221235093 /nfs/dbraw/zinc/23/50/93/221235093.db2.gz NFSTXARXFSIJOW-KBPBESRZSA-N 0 0 397.431 3.117 10 5 GGBERN COc1ccc(CCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000012889135 221242177 /nfs/dbraw/zinc/24/21/77/221242177.db2.gz WJBDQCIDJVOFGQ-UHFFFAOYSA-N 0 0 388.420 3.325 10 5 GGBERN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000012987066 221253173 /nfs/dbraw/zinc/25/31/73/221253173.db2.gz HZLOVZYHPQJRSN-UHFFFAOYSA-N 0 0 389.839 3.010 10 5 GGBERN COc1cccc(N2C[C@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000012987380 221253252 /nfs/dbraw/zinc/25/32/52/221253252.db2.gz FMDTYMGOYXEROZ-GOEBONIOSA-N 0 0 397.431 3.176 10 5 GGBERN Cc1nn(C)c(C)c1Nc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000013146705 221262602 /nfs/dbraw/zinc/26/26/02/221262602.db2.gz DFJJTJLJURCETR-GJZGRUSLSA-N 0 0 395.419 3.144 10 5 GGBERN O=C(COc1cc(Cl)ccc1Cl)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000014017626 221296057 /nfs/dbraw/zinc/29/60/57/221296057.db2.gz UJKYOYBLHMEWPH-AWEZNQCLSA-N 0 0 385.203 3.130 10 5 GGBERN O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000014017629 221296254 /nfs/dbraw/zinc/29/62/54/221296254.db2.gz UJKYOYBLHMEWPH-CQSZACIVSA-N 0 0 385.203 3.130 10 5 GGBERN Cc1cccc(OCCN(C)C(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000014115149 221299689 /nfs/dbraw/zinc/29/96/89/221299689.db2.gz WQLBHVJGGQOUPL-VOTSOKGWSA-N 0 0 398.415 3.320 10 5 GGBERN COC(=O)C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000014120589 221300079 /nfs/dbraw/zinc/30/00/79/221300079.db2.gz HJKOZUYTQOHLDE-AWEZNQCLSA-N 0 0 392.795 3.048 10 5 GGBERN O=C(Nc1ccccc1C(=O)NCCOc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000014138008 221300491 /nfs/dbraw/zinc/30/04/91/221300491.db2.gz YLUPBVLKLUQUOK-UHFFFAOYSA-N 0 0 395.371 3.249 10 5 GGBERN O=C(/C=C/c1c(Cl)nc2ccccn21)NCCNc1ccccc1[N+](=O)[O-] ZINC000015093448 221332392 /nfs/dbraw/zinc/33/23/92/221332392.db2.gz XPDNUAHDHSXARE-CMDGGOBGSA-N 0 0 385.811 3.137 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000015400323 221336463 /nfs/dbraw/zinc/33/64/63/221336463.db2.gz DXJJADMUOBXEFZ-UHFFFAOYSA-N 0 0 389.477 3.188 10 5 GGBERN Cc1c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cccc1[N+](=O)[O-] ZINC000015732044 221342245 /nfs/dbraw/zinc/34/22/45/221342245.db2.gz ADZLQLKDZZAWSF-UHFFFAOYSA-N 0 0 393.446 3.138 10 5 GGBERN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000015868244 221349712 /nfs/dbraw/zinc/34/97/12/221349712.db2.gz LUQAKLOBMXJEFF-CQSZACIVSA-N 0 0 388.387 3.439 10 5 GGBERN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000015868245 221349785 /nfs/dbraw/zinc/34/97/85/221349785.db2.gz KBBCTEJOWBQNOD-ZDUSSCGKSA-N 0 0 388.387 3.439 10 5 GGBERN COC(=O)C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000016139288 221357822 /nfs/dbraw/zinc/35/78/22/221357822.db2.gz AKEAGQPYSSJJEC-KRWDZBQOSA-N 0 0 383.404 3.203 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000016695034 221368834 /nfs/dbraw/zinc/36/88/34/221368834.db2.gz OICYYRJLNSLGTB-HNNXBMFYSA-N 0 0 380.448 3.428 10 5 GGBERN C[C@@H]1CCCN([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000017245368 221381995 /nfs/dbraw/zinc/38/19/95/221381995.db2.gz HIPHZGNFRQKINA-BFUOFWGJSA-N 0 0 389.452 3.155 10 5 GGBERN COCCNc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000017296163 221382766 /nfs/dbraw/zinc/38/27/66/221382766.db2.gz WNAURWQIEIBGFC-UHFFFAOYSA-N 0 0 382.420 3.107 10 5 GGBERN Cc1c(C(=O)N2CCCN(C)c3nc4ccccc4nc32)cccc1[N+](=O)[O-] ZINC000017364307 221383696 /nfs/dbraw/zinc/38/36/96/221383696.db2.gz MXNJEJIAEIWTJQ-UHFFFAOYSA-N 0 0 377.404 3.333 10 5 GGBERN CCOC(=O)N=[S@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000017729799 221384393 /nfs/dbraw/zinc/38/43/93/221384393.db2.gz DOCINWIVBBZBDP-MHZLTWQESA-N 0 0 395.349 3.480 10 5 GGBERN O=C(COC(=O)c1cc2c(s1)CCC2)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000016803770 221371362 /nfs/dbraw/zinc/37/13/62/221371362.db2.gz XSVWNTVFKMDVGD-UHFFFAOYSA-N 0 0 386.429 3.281 10 5 GGBERN Cc1cc(=O)c(C(=O)N[C@@H](C)c2cccs2)nn1-c1ccccc1[N+](=O)[O-] ZINC000017842381 221385188 /nfs/dbraw/zinc/38/51/88/221385188.db2.gz MGJLLTJJKRVUNK-LBPRGKRZSA-N 0 0 384.417 3.002 10 5 GGBERN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1cccc(Cl)c1 ZINC000018331578 221392516 /nfs/dbraw/zinc/39/25/16/221392516.db2.gz ASJNZLIBGHEMKD-NSHDSACASA-N 0 0 392.795 3.081 10 5 GGBERN Cc1cc(C)c(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1C ZINC000020405980 221485793 /nfs/dbraw/zinc/48/57/93/221485793.db2.gz JXVDYDAVIBUJCC-UHFFFAOYSA-N 0 0 385.493 3.434 10 5 GGBERN Cc1cccc(N2CCN(CCNC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000058021469 136154392 /nfs/dbraw/zinc/15/43/92/136154392.db2.gz IIDHNLKNMYLXNN-UHFFFAOYSA-N 0 0 397.479 3.155 10 5 GGBERN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000058159421 136154721 /nfs/dbraw/zinc/15/47/21/136154721.db2.gz LGXVFVCDKGCUPJ-UHFFFAOYSA-N 0 0 392.818 3.148 10 5 GGBERN O=C(Nc1ccnn1C1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000058391399 136155345 /nfs/dbraw/zinc/15/53/45/136155345.db2.gz DJNGJZZQEADUNA-UHFFFAOYSA-N 0 0 399.451 3.385 10 5 GGBERN Cc1ccn2cc(CNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)nc2c1 ZINC000065505326 136164080 /nfs/dbraw/zinc/16/40/80/136164080.db2.gz HBSRYOWZSFRRKG-UHFFFAOYSA-N 0 0 393.447 3.084 10 5 GGBERN COc1ccc2oc(=O)cc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000096505281 136187330 /nfs/dbraw/zinc/18/73/30/136187330.db2.gz KCMQZTHFYCWTFK-UHFFFAOYSA-N 0 0 395.415 3.032 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025835535 221633628 /nfs/dbraw/zinc/63/36/28/221633628.db2.gz FCAKQCQIWFAVDJ-GOEBONIOSA-N 0 0 385.420 3.260 10 5 GGBERN O=C(Nc1cnn(Cc2cccc(Cl)c2Cl)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000036620706 221862331 /nfs/dbraw/zinc/86/23/31/221862331.db2.gz VLAIXCBDQOTVFY-UHFFFAOYSA-N 0 0 381.179 3.122 10 5 GGBERN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)c(Br)c1 ZINC000037975682 221875359 /nfs/dbraw/zinc/87/53/59/221875359.db2.gz RHKYKZDBQSVFGP-UHFFFAOYSA-N 0 0 392.618 3.207 10 5 GGBERN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccnc2Cl)c(Br)c1 ZINC000037981171 221876168 /nfs/dbraw/zinc/87/61/68/221876168.db2.gz JYIMKFZHTRBPMV-UHFFFAOYSA-N 0 0 392.618 3.207 10 5 GGBERN Cc1nc(-c2ccc(Oc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)no1 ZINC000043765242 221949936 /nfs/dbraw/zinc/94/99/36/221949936.db2.gz UAJLSSQEQXFDSP-UHFFFAOYSA-N 0 0 375.362 3.149 10 5 GGBERN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000045172899 221959532 /nfs/dbraw/zinc/95/95/32/221959532.db2.gz NORMUSYRFPLNQZ-UHFFFAOYSA-N 0 0 380.378 3.021 10 5 GGBERN O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000064997272 222093446 /nfs/dbraw/zinc/09/34/46/222093446.db2.gz SWQMUIFVPKMVBN-SECBINFHSA-N 0 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CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074162 222328622 /nfs/dbraw/zinc/32/86/22/222328622.db2.gz DVDHCBNRCGQNOO-ZDUSSCGKSA-N 0 0 375.429 3.307 10 5 GGBERN CC(C)(C)OC(=O)N1CC[C@H]([S@](=O)c2nc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000095083221 222329016 /nfs/dbraw/zinc/32/90/16/222329016.db2.gz USCOONKEOIVKRM-KPHLJTLVSA-N 0 0 397.478 3.322 10 5 GGBERN CC(C)(C)OC(=O)N1CCC([S@](=O)c2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000095083674 222329550 /nfs/dbraw/zinc/32/95/50/222329550.db2.gz OCVQXTMIBKHHPX-HHHXNRCGSA-N 0 0 395.437 3.243 10 5 GGBERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095075452 222329631 /nfs/dbraw/zinc/32/96/31/222329631.db2.gz NAXSDKNMZFEUJF-LBPRGKRZSA-N 0 0 375.429 3.164 10 5 GGBERN CC(C)(C)OC(=O)N1CC[C@@H](C[S@@](=O)c2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095084386 222330149 /nfs/dbraw/zinc/33/01/49/222330149.db2.gz XZRCGLJVYPVMNE-LUGWNYHVSA-N 0 0 395.437 3.101 10 5 GGBERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000095085401 222330324 /nfs/dbraw/zinc/33/03/24/222330324.db2.gz MHKUCOGSFVFCEH-GFCCVEGCSA-N 0 0 376.413 3.497 10 5 GGBERN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC000078876394 222297845 /nfs/dbraw/zinc/29/78/45/222297845.db2.gz JJAGUSUGILIBSB-SNVBAGLBSA-N 0 0 385.239 3.397 10 5 GGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC=C(c2cccnc2)CC1 ZINC000096006760 222370595 /nfs/dbraw/zinc/37/05/95/222370595.db2.gz UPPNNETVCCMNKB-UHFFFAOYSA-N 0 0 393.852 3.430 10 5 GGBERN CC(C)(C)OC(=O)NC1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000098007905 222453167 /nfs/dbraw/zinc/45/31/67/222453167.db2.gz YNUNROCPQDIKRT-HJWRWDBZSA-N 0 0 375.425 3.124 10 5 GGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2ccncc2)n(C)c1=S ZINC000024654662 534063914 /nfs/dbraw/zinc/06/39/14/534063914.db2.gz IXZCTYZIVPATJJ-GFCCVEGCSA-N 0 0 382.449 3.330 10 5 GGBERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095087358 534889421 /nfs/dbraw/zinc/88/94/21/534889421.db2.gz IZIQMCOIKXCMAC-AWEZNQCLSA-N 0 0 387.440 3.422 10 5 GGBERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095087359 534891287 /nfs/dbraw/zinc/89/12/87/534891287.db2.gz IZIQMCOIKXCMAC-CQSZACIVSA-N 0 0 387.440 3.422 10 5 GGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)cc1C ZINC000114741663 564181480 /nfs/dbraw/zinc/18/14/80/564181480.db2.gz NWBVJXHWRSDFPZ-ZDUSSCGKSA-N 0 0 381.479 3.236 10 5 GGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114741890 564182555 /nfs/dbraw/zinc/18/25/55/564182555.db2.gz LIRHNDXYBXRHLA-CYBMUJFWSA-N 0 0 381.479 3.182 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(I)cc2)cc1 ZINC000003200328 564193963 /nfs/dbraw/zinc/19/39/63/564193963.db2.gz PTPWLISSUXEFMT-UHFFFAOYSA-N 0 0 389.170 3.032 10 5 GGBERN C[C@@H](NC(=O)CSc1ccsc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000005035964 564211644 /nfs/dbraw/zinc/21/16/44/564211644.db2.gz OJQHYIQGAYSHIX-SNVBAGLBSA-N 0 0 380.447 3.397 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/nfs/dbraw/zinc/32/94/08/564329408.db2.gz ISXAZQMHTLGIHN-ZDUSSCGKSA-N 0 0 381.479 3.236 10 5 GGBERN COCCOc1ncccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120650456 564330905 /nfs/dbraw/zinc/33/09/05/564330905.db2.gz QVOQTTNYZYJCMU-UHFFFAOYSA-N 0 0 396.197 3.030 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000024864443 564333803 /nfs/dbraw/zinc/33/38/03/564333803.db2.gz WNGYTFJMTLCCBD-LLVKDONJSA-N 0 0 393.241 3.384 10 5 GGBERN Cn1cc([C@@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000120744637 564334799 /nfs/dbraw/zinc/33/47/99/564334799.db2.gz PRZCZTDTQCRNSV-AWEZNQCLSA-N 0 0 379.214 3.068 10 5 GGBERN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000026876309 564351032 /nfs/dbraw/zinc/35/10/32/564351032.db2.gz CQZWPBDINMKVHQ-MRVPVSSYSA-N 0 0 376.843 3.358 10 5 GGBERN C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000121390810 564366845 /nfs/dbraw/zinc/36/68/45/564366845.db2.gz UKBNXXAILRXHJE-CABZTGNLSA-N 0 0 378.372 3.389 10 5 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3.422 10 5 GGBERN O=[N+]([O-])c1cc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cs1 ZINC000047172135 564514751 /nfs/dbraw/zinc/51/47/51/564514751.db2.gz MQYJAPHXCYQKMU-UHFFFAOYSA-N 0 0 385.492 3.128 10 5 GGBERN NC(=O)CCn1c(SCc2csc([N+](=O)[O-])c2)nnc1-c1cccs1 ZINC000047172298 564514756 /nfs/dbraw/zinc/51/47/56/564514756.db2.gz PWECGERHGWIFMU-UHFFFAOYSA-N 0 0 395.491 3.144 10 5 GGBERN COc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000047543413 564522758 /nfs/dbraw/zinc/52/27/58/564522758.db2.gz WLZGUWSLHOFDJC-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN O=[N+]([O-])c1ccc(N2CCN(Cc3csc(Br)c3)CC2)cn1 ZINC000047703174 564525780 /nfs/dbraw/zinc/52/57/80/564525780.db2.gz NPWCXYPLWSMZBN-UHFFFAOYSA-N 0 0 383.271 3.136 10 5 GGBERN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000126169982 564539260 /nfs/dbraw/zinc/53/92/60/564539260.db2.gz JXKMLULHCLLTGQ-UHFFFAOYSA-N 0 0 381.179 3.278 10 5 GGBERN COc1ccc(CCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c(Cl)c1 ZINC000126206178 564541076 /nfs/dbraw/zinc/54/10/76/564541076.db2.gz ABDFTNFQJQUPEI-UHFFFAOYSA-N 0 0 384.841 3.315 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000126311026 564545130 /nfs/dbraw/zinc/54/51/30/564545130.db2.gz KDNUNTZRWMJPCP-UHFFFAOYSA-N 0 0 376.722 3.273 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000126525295 564552660 /nfs/dbraw/zinc/55/26/60/564552660.db2.gz BTFOYPBFWZCFDL-JTQLQIEISA-N 0 0 377.388 3.073 10 5 GGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1cc(F)cc(Br)c1 ZINC000050121498 564556175 /nfs/dbraw/zinc/55/61/75/564556175.db2.gz RQHOZZSJWBYGDO-UHFFFAOYSA-N 0 0 382.189 3.496 10 5 GGBERN Cc1cc(N2CCN(c3ccc(Br)cn3)CC2)ccc1[N+](=O)[O-] ZINC000052005155 564568021 /nfs/dbraw/zinc/56/80/21/564568021.db2.gz RBMMVTYTJYSXHD-UHFFFAOYSA-N 0 0 377.242 3.387 10 5 GGBERN Cc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CCO2)o1 ZINC000127063330 564571947 /nfs/dbraw/zinc/57/19/47/564571947.db2.gz GZXUYUPONZVZTG-OAHLLOKOSA-N 0 0 395.209 3.472 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(Cl)cc1Cl ZINC000052781810 564576468 /nfs/dbraw/zinc/57/64/68/564576468.db2.gz PMCDLGCANZNOJP-UHFFFAOYSA-N 0 0 391.232 3.389 10 5 GGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000127197341 564577115 /nfs/dbraw/zinc/57/71/15/564577115.db2.gz NMVLGWIZZFNHMZ-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1ncc([N+](=O)[O-])cc1Br ZINC000127537167 564587288 /nfs/dbraw/zinc/58/72/88/564587288.db2.gz TWNMHGUQGOIZNK-UHFFFAOYSA-N 0 0 394.151 3.141 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)c1C ZINC000127567684 564588038 /nfs/dbraw/zinc/58/80/38/564588038.db2.gz DNFWUOXVNTYTJX-HNNXBMFYSA-N 0 0 382.463 3.035 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000127570801 564589088 /nfs/dbraw/zinc/58/90/88/564589088.db2.gz AIOYIDXYPKMYDR-CYBMUJFWSA-N 0 0 388.854 3.072 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1ncc(Br)cc1[N+](=O)[O-] ZINC000127586385 564589131 /nfs/dbraw/zinc/58/91/31/564589131.db2.gz BRSVIKVJUSAIKO-UHFFFAOYSA-N 0 0 394.151 3.141 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCO[C@H](c2cccs2)C1 ZINC000127797987 564597303 /nfs/dbraw/zinc/59/73/03/564597303.db2.gz PMHIOCOFRRCVGP-LBPRGKRZSA-N 0 0 388.854 3.072 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000055012737 564613813 /nfs/dbraw/zinc/61/38/13/564613813.db2.gz GGSZLCXDQPVFMT-LBPRGKRZSA-N 0 0 381.797 3.450 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000128733281 564627217 /nfs/dbraw/zinc/62/72/17/564627217.db2.gz MKYORMPXHWXPAU-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccc(F)c(Br)c1 ZINC000055865654 564633650 /nfs/dbraw/zinc/63/36/50/564633650.db2.gz CFMWZIJERIDNSY-UHFFFAOYSA-N 0 0 382.189 3.172 10 5 GGBERN O=C(COc1cccc([N+](=O)[O-])c1)NCc1cc(F)cc(Br)c1 ZINC000055973359 564636222 /nfs/dbraw/zinc/63/62/22/564636222.db2.gz AWCXQNWVGCGDLT-UHFFFAOYSA-N 0 0 383.173 3.192 10 5 GGBERN CSc1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cc1[N+](=O)[O-] ZINC000129596049 564653915 /nfs/dbraw/zinc/65/39/15/564653915.db2.gz HQXGSCXNPZHUHE-UHFFFAOYSA-N 0 0 384.211 3.432 10 5 GGBERN Cc1nn(C)c(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000129932168 564665086 /nfs/dbraw/zinc/66/50/86/564665086.db2.gz IWRZVSWYXUSWCY-GFCCVEGCSA-N 0 0 376.722 3.324 10 5 GGBERN CC(C)Cn1ccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000130972294 564697883 /nfs/dbraw/zinc/69/78/83/564697883.db2.gz AAGMHXCDKLNCRP-UHFFFAOYSA-N 0 0 381.230 3.140 10 5 GGBERN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000062087363 564710630 /nfs/dbraw/zinc/71/06/30/564710630.db2.gz GGEHUXNBEYPUJU-SNVBAGLBSA-N 0 0 392.209 3.173 10 5 GGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nnc(-c2ccsc2)s1 ZINC000063597499 564719629 /nfs/dbraw/zinc/71/96/29/564719629.db2.gz AEIAHLQBTDRFCK-UHFFFAOYSA-N 0 0 380.382 3.331 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)cc1 ZINC000064242848 564727321 /nfs/dbraw/zinc/72/73/21/564727321.db2.gz NBAISXPTSUSBNI-QMMMGPOBSA-N 0 0 391.268 3.458 10 5 GGBERN CN(CCCOc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001297 564753575 /nfs/dbraw/zinc/75/35/75/564753575.db2.gz IFBXINAOGHIWKK-UHFFFAOYSA-N 0 0 390.870 3.399 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2cccc(Cl)c2Cl)s1 ZINC000066001650 564753612 /nfs/dbraw/zinc/75/36/12/564753612.db2.gz OIVFHAFTHYIPFR-UHFFFAOYSA-N 0 0 397.261 3.320 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000066001269 564753642 /nfs/dbraw/zinc/75/36/42/564753642.db2.gz PTZXWQFKHLVNTA-LBPRGKRZSA-N 0 0 388.854 3.072 10 5 GGBERN CN(Cc1csc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001714 564753755 /nfs/dbraw/zinc/75/37/55/564753755.db2.gz XKBXWHWBPBTXGL-UHFFFAOYSA-N 0 0 397.297 3.301 10 5 GGBERN O=c1c(Br)cn(Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000132863198 564755147 /nfs/dbraw/zinc/75/51/47/564755147.db2.gz AUTVVKCFOIWFLA-UHFFFAOYSA-N 0 0 394.044 3.391 10 5 GGBERN COc1cccc(C[C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066333752 564762496 /nfs/dbraw/zinc/76/24/96/564762496.db2.gz KNWVNHSPTOEOJK-ZDUSSCGKSA-N 0 0 382.463 3.061 10 5 GGBERN CN(Cc1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327306 564762501 /nfs/dbraw/zinc/76/25/01/564762501.db2.gz CSIIPNMIDATIPV-UHFFFAOYSA-N 0 0 391.268 3.240 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)s1 ZINC000066327448 564762522 /nfs/dbraw/zinc/76/25/22/564762522.db2.gz ILSWXCCTACPDML-LLVKDONJSA-N 0 0 388.492 3.088 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC(F)F)cc1 ZINC000066327588 564762539 /nfs/dbraw/zinc/76/25/39/564762539.db2.gz HKVCFZCXIMALMH-MRVPVSSYSA-N 0 0 378.378 3.297 10 5 GGBERN O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066810166 564775431 /nfs/dbraw/zinc/77/54/31/564775431.db2.gz NGYOALSVSCPOPU-UHFFFAOYSA-N 0 0 381.219 3.259 10 5 GGBERN Cc1c(Br)cc(C(=O)NC[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000133658446 564781158 /nfs/dbraw/zinc/78/11/58/564781158.db2.gz CXDLZDAEPWIBLH-AWEZNQCLSA-N 0 0 393.237 3.172 10 5 GGBERN Cc1nc(NCc2nnc(-c3ccc(Br)cc3)[nH]2)ccc1[N+](=O)[O-] ZINC000134105815 564793804 /nfs/dbraw/zinc/79/38/04/564793804.db2.gz GMBWAQVQXSCXQF-UHFFFAOYSA-N 0 0 389.213 3.458 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000134652601 564811070 /nfs/dbraw/zinc/81/10/70/564811070.db2.gz LSUDTSRBWVVELQ-LBPRGKRZSA-N 0 0 388.873 3.327 10 5 GGBERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134814806 564816437 /nfs/dbraw/zinc/81/64/37/564816437.db2.gz DSCKCWBVGSUROV-GFCCVEGCSA-N 0 0 381.219 3.305 10 5 GGBERN CCn1c(C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)n[nH]c1=S ZINC000068452893 564819075 /nfs/dbraw/zinc/81/90/75/564819075.db2.gz OWNHSFPRPGLBCQ-UHFFFAOYSA-N 0 0 381.483 3.259 10 5 GGBERN O=C(NCCc1csc(N2CCCC2)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134959218 564820502 /nfs/dbraw/zinc/82/05/02/564820502.db2.gz OHJHSSHLDABEQA-UHFFFAOYSA-N 0 0 380.857 3.277 10 5 GGBERN Cc1cc(Br)cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000135359418 564828854 /nfs/dbraw/zinc/82/88/54/564828854.db2.gz WLHVVZQJWBFXPT-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@H](Oc2cccnc2)C1 ZINC000135778159 564840341 /nfs/dbraw/zinc/84/03/41/564840341.db2.gz BNTMRMWCCWBMDL-ZDUSSCGKSA-N 0 0 392.209 3.046 10 5 GGBERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000137401356 564862065 /nfs/dbraw/zinc/86/20/65/564862065.db2.gz YJZAGBLYJBPIHW-LLVKDONJSA-N 0 0 381.219 3.305 10 5 GGBERN O=C1CCCN1CCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000144392565 564877256 /nfs/dbraw/zinc/87/72/56/564877256.db2.gz WIODKIMLBXMICF-UHFFFAOYSA-N 0 0 393.241 3.330 10 5 GGBERN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000146645143 564881531 /nfs/dbraw/zinc/88/15/31/564881531.db2.gz LWYCGQBSTVCXSH-VIFPVBQESA-N 0 0 384.797 3.016 10 5 GGBERN CC(C)COC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000146929664 564881837 /nfs/dbraw/zinc/88/18/37/564881837.db2.gz SJFYNVJZFCUDHY-UHFFFAOYSA-N 0 0 376.862 3.074 10 5 GGBERN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCS1(=O)=O ZINC000093735313 564889293 /nfs/dbraw/zinc/88/92/93/564889293.db2.gz VOGGAKWRPVVZAA-UHFFFAOYSA-N 0 0 380.491 3.332 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC=C(c2cccnc2)CC1 ZINC000095469243 564899986 /nfs/dbraw/zinc/89/99/86/564899986.db2.gz RNZMGHFMLLFXLS-UHFFFAOYSA-N 0 0 379.825 3.121 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1NC[C@@H]1CCCC[C@H]1O ZINC000096867214 564903472 /nfs/dbraw/zinc/90/34/72/564903472.db2.gz YUCCLTSTYSISPY-TVQRCGJNSA-N 0 0 376.194 3.162 10 5 GGBERN CCNC(=O)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000096967176 564904368 /nfs/dbraw/zinc/90/43/68/564904368.db2.gz NCRYIXFQCMLALE-UHFFFAOYSA-N 0 0 380.754 3.119 10 5 GGBERN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000151126343 564906334 /nfs/dbraw/zinc/90/63/34/564906334.db2.gz ZRHWGFYUVRNHTL-AWEZNQCLSA-N 0 0 393.193 3.001 10 5 GGBERN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cscc1C ZINC000151240253 564911414 /nfs/dbraw/zinc/91/14/14/564911414.db2.gz MXZGRVXRVFKELZ-JTQLQIEISA-N 0 0 383.451 3.048 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)s1 ZINC000098117613 564913319 /nfs/dbraw/zinc/91/33/19/564913319.db2.gz PKWATYYOOHQAMO-UHFFFAOYSA-N 0 0 396.368 3.076 10 5 GGBERN CC(C)COC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000101573578 564918561 /nfs/dbraw/zinc/91/85/61/564918561.db2.gz MXZRUYKOZVKYHE-UHFFFAOYSA-N 0 0 376.862 3.074 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000151444818 564920924 /nfs/dbraw/zinc/92/09/24/564920924.db2.gz YXANIFOEKUFRLA-OAHLLOKOSA-N 0 0 382.438 3.390 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ncc(-c2ccccc2)o1 ZINC000151556122 564926103 /nfs/dbraw/zinc/92/61/03/564926103.db2.gz RXTCSPAABZCGNZ-SNVBAGLBSA-N 0 0 379.419 3.351 10 5 GGBERN Cc1nn(CCC(=O)Oc2ccc(F)cc2Br)c(C)c1[N+](=O)[O-] ZINC000102324337 564928589 /nfs/dbraw/zinc/92/85/89/564928589.db2.gz AHTDXPFIWGYGFA-UHFFFAOYSA-N 0 0 386.177 3.305 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccncc2)s1 ZINC000151943162 564941746 /nfs/dbraw/zinc/94/17/46/564941746.db2.gz XIENGOLKZRBGGO-UHFFFAOYSA-N 0 0 375.431 3.447 10 5 GGBERN CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000103463570 564949038 /nfs/dbraw/zinc/94/90/38/564949038.db2.gz YXBPGKJHPOHCFG-UHFFFAOYSA-N 0 0 385.239 3.324 10 5 GGBERN Cc1ccc(OC(F)F)c(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000152232413 564951717 /nfs/dbraw/zinc/95/17/17/564951717.db2.gz MBLCJRMVRAZWPF-UHFFFAOYSA-N 0 0 378.378 3.045 10 5 GGBERN Cc1cnc(CCN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000152526955 564962512 /nfs/dbraw/zinc/96/25/12/564962512.db2.gz WGJZWQNZSKAKCL-NSHDSACASA-N 0 0 383.857 3.482 10 5 GGBERN CCc1nc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cs1 ZINC000152949659 564978207 /nfs/dbraw/zinc/97/82/07/564978207.db2.gz QEQABUGNJCWTKN-UHFFFAOYSA-N 0 0 384.255 3.235 10 5 GGBERN CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000153010963 564981720 /nfs/dbraw/zinc/98/17/20/564981720.db2.gz FTIJGXBYEOXSLJ-SNVBAGLBSA-N 0 0 387.508 3.373 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2(c3ccc(Cl)cc3)CC2)c1 ZINC000153102994 564984629 /nfs/dbraw/zinc/98/46/29/564984629.db2.gz UJYYJIWOTJKWMX-UHFFFAOYSA-N 0 0 380.853 3.399 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1sc(C)nc1C ZINC000106897153 564990627 /nfs/dbraw/zinc/99/06/27/564990627.db2.gz BYAIEWUKJHCDJC-JTQLQIEISA-N 0 0 385.467 3.058 10 5 GGBERN CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000106894848 564990990 /nfs/dbraw/zinc/99/09/90/564990990.db2.gz PNZFQPLTCNRQOS-CYBMUJFWSA-N 0 0 376.862 3.218 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1cccc(Br)c1 ZINC000153596115 565002340 /nfs/dbraw/zinc/00/23/40/565002340.db2.gz QJZUZSJJKPGZAO-AWEZNQCLSA-N 0 0 380.198 3.212 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3ccc(Br)cc32)c1 ZINC000153764547 565010198 /nfs/dbraw/zinc/01/01/98/565010198.db2.gz ZBRNZQQWKGADLG-UHFFFAOYSA-N 0 0 397.250 3.250 10 5 GGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000109025579 565019866 /nfs/dbraw/zinc/01/98/66/565019866.db2.gz UIRFNJCMWITWTR-JTQLQIEISA-N 0 0 382.825 3.143 10 5 GGBERN Cc1nn(CCC(=O)Nc2nc(-c3ccsc3)ns2)c(C)c1[N+](=O)[O-] ZINC000109110354 565021498 /nfs/dbraw/zinc/02/14/98/565021498.db2.gz WQNPUDJKOMWOML-UHFFFAOYSA-N 0 0 378.439 3.017 10 5 GGBERN CCCc1n[nH]c(C(=O)NCc2cc(F)cc(Br)c2)c1[N+](=O)[O-] ZINC000109619895 565028901 /nfs/dbraw/zinc/02/89/01/565028901.db2.gz BENKTUUEMUBVKW-UHFFFAOYSA-N 0 0 385.193 3.102 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000154443661 565039107 /nfs/dbraw/zinc/03/91/07/565039107.db2.gz VMNGRPAEOFKMFK-IUODEOHRSA-N 0 0 397.225 3.279 10 5 GGBERN Cc1sc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000154566684 565045095 /nfs/dbraw/zinc/04/50/95/565045095.db2.gz NYNLJMGLODMDBV-GFCCVEGCSA-N 0 0 379.825 3.153 10 5 GGBERN CCOC(=O)c1sc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)nc1C ZINC000154608512 565046462 /nfs/dbraw/zinc/04/64/62/565046462.db2.gz JAVZBORGTFKOCS-QMMMGPOBSA-N 0 0 383.451 3.397 10 5 GGBERN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000154979119 565058703 /nfs/dbraw/zinc/05/87/03/565058703.db2.gz MNGJKEBWUXLMEC-LBPRGKRZSA-N 0 0 384.841 3.135 10 5 GGBERN Cn1cc([C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)cn1 ZINC000155113430 565062168 /nfs/dbraw/zinc/06/21/68/565062168.db2.gz MRPITNLBUUBQCN-SNVBAGLBSA-N 0 0 394.229 3.112 10 5 GGBERN CO[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000155132778 565062491 /nfs/dbraw/zinc/06/24/91/565062491.db2.gz JYUYVEBMMQALAT-MRXNPFEDSA-N 0 0 384.841 3.055 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)NCC3(C)COC3)cc2[N+](=O)[O-])n1 ZINC000112621229 565065093 /nfs/dbraw/zinc/06/50/93/565065093.db2.gz CIDCFDYZWJVDSL-UHFFFAOYSA-N 0 0 379.463 3.277 10 5 GGBERN O=[N+]([O-])c1cccnc1S(=O)(=O)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000112753834 565066188 /nfs/dbraw/zinc/06/61/88/565066188.db2.gz SEOCTQFOOTVVSL-UHFFFAOYSA-N 0 0 379.781 3.272 10 5 GGBERN O=[N+]([O-])c1c(N[C@H](CO)c2cccc(Br)c2)nc2sccn21 ZINC000155441595 565067740 /nfs/dbraw/zinc/06/77/40/565067740.db2.gz DOZBFOAYWMGEOK-SNVBAGLBSA-N 0 0 383.227 3.212 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CCc2nccs2)C(C)C)c1C ZINC000155563817 565069254 /nfs/dbraw/zinc/06/92/54/565069254.db2.gz IBHLIFXFDDCKGV-UHFFFAOYSA-N 0 0 383.495 3.310 10 5 GGBERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000113944684 565071608 /nfs/dbraw/zinc/07/16/08/565071608.db2.gz STJDRPDWLGKFDF-GFCCVEGCSA-N 0 0 381.479 3.182 10 5 GGBERN O=C(Cc1ccc(Br)s1)NCCNc1ccccc1[N+](=O)[O-] ZINC000114226803 565072859 /nfs/dbraw/zinc/07/28/59/565072859.db2.gz DXIYGWFPCGIAHP-UHFFFAOYSA-N 0 0 384.255 3.190 10 5 GGBERN O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000114228713 565072902 /nfs/dbraw/zinc/07/29/02/565072902.db2.gz GIJJUAQHXSHQRL-UHFFFAOYSA-N 0 0 375.178 3.129 10 5 GGBERN C[C@@H](NC(=O)C(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000114241990 565073252 /nfs/dbraw/zinc/07/32/52/565073252.db2.gz FEVHTJINQPLUQB-SNVBAGLBSA-N 0 0 377.194 3.417 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(CO)c(F)c1 ZINC000183592146 565080909 /nfs/dbraw/zinc/08/09/09/565080909.db2.gz QXHZBZJPFAYADX-UHFFFAOYSA-N 0 0 384.816 3.288 10 5 GGBERN Cc1ncsc1CN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183656453 565086061 /nfs/dbraw/zinc/08/60/61/565086061.db2.gz GXDHWPUPXLALPD-UHFFFAOYSA-N 0 0 375.859 3.142 10 5 GGBERN Cc1cnc(C2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000369351252 565088756 /nfs/dbraw/zinc/08/87/56/565088756.db2.gz AYQUJUHKIMZPKH-UHFFFAOYSA-N 0 0 381.479 3.069 10 5 GGBERN Cc1c(NC(=O)c2ncn(C(C)(C)C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000292016077 565091893 /nfs/dbraw/zinc/09/18/93/565091893.db2.gz YTMOFBNMRBBUTH-UHFFFAOYSA-N 0 0 382.218 3.265 10 5 GGBERN CCC1(CC)CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000183871272 565099963 /nfs/dbraw/zinc/09/99/63/565099963.db2.gz LTDNTNDPYRRBEL-ZJWNCGCPSA-N 0 0 384.523 3.225 10 5 GGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292169368 565102317 /nfs/dbraw/zinc/10/23/17/565102317.db2.gz DNSQGWDBKVZZEZ-OLZOCXBDSA-N 0 0 380.800 3.222 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3cccc(Br)c3)CC2)n1 ZINC000369715982 565107597 /nfs/dbraw/zinc/10/75/97/565107597.db2.gz YVSJIDZKISZOLU-UHFFFAOYSA-N 0 0 393.241 3.111 10 5 GGBERN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292394435 565113739 /nfs/dbraw/zinc/11/37/39/565113739.db2.gz SLGUAESPEWVJMU-QWHCGFSZSA-N 0 0 380.800 3.222 10 5 GGBERN C[C@@]12CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@@H]1C2(F)F ZINC000292390481 565113877 /nfs/dbraw/zinc/11/38/77/565113877.db2.gz SEXIEYQBIOTELG-CMPLNLGQSA-N 0 0 384.763 3.053 10 5 GGBERN CS(=O)(=O)N1CCc2c1cccc2NCc1cc([N+](=O)[O-])ccc1Cl ZINC000184220611 565120502 /nfs/dbraw/zinc/12/05/02/565120502.db2.gz GZJCLARGLDUHHM-UHFFFAOYSA-N 0 0 381.841 3.182 10 5 GGBERN O=C(CN1CCO[C@H](c2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157503893 565135218 /nfs/dbraw/zinc/13/52/18/565135218.db2.gz IXMXFXJKDQULDP-AWEZNQCLSA-N 0 0 381.841 3.322 10 5 GGBERN Cn1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c(C2CC2)n1 ZINC000292849606 565138170 /nfs/dbraw/zinc/13/81/70/565138170.db2.gz NTFVRPUVAJMWIV-UHFFFAOYSA-N 0 0 383.177 3.360 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2cccc(C(F)(F)F)n2)s1 ZINC000293050627 565148505 /nfs/dbraw/zinc/14/85/05/565148505.db2.gz MIYGHAVJKVCFFR-UHFFFAOYSA-N 0 0 395.384 3.128 10 5 GGBERN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ncc(-c2cccc(F)c2)o1 ZINC000158273553 565163393 /nfs/dbraw/zinc/16/33/93/565163393.db2.gz ALEIBVFUZFMGHT-UHFFFAOYSA-N 0 0 394.156 3.361 10 5 GGBERN Cc1nc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)no1 ZINC000370954992 565169448 /nfs/dbraw/zinc/16/94/48/565169448.db2.gz HSMMHPCFVKERNB-ZDUSSCGKSA-N 0 0 395.213 3.416 10 5 GGBERN C[C@@]12CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000293594419 565176177 /nfs/dbraw/zinc/17/61/77/565176177.db2.gz GZOBFYYWGRUSMU-WCQYABFASA-N 0 0 375.169 3.475 10 5 GGBERN CCc1sc(-c2nnc(Cn3cc(Cl)cc([N+](=O)[O-])c3=O)o2)cc1C ZINC000158756076 565180990 /nfs/dbraw/zinc/18/09/90/565180990.db2.gz DFQNATNEGKYWBX-UHFFFAOYSA-N 0 0 380.813 3.441 10 5 GGBERN Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000158786606 565182686 /nfs/dbraw/zinc/18/26/86/565182686.db2.gz AFJGUYUCDTVXPM-QMMMGPOBSA-N 0 0 387.845 3.243 10 5 GGBERN CSc1ccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1[N+](=O)[O-] ZINC000269366072 565187420 /nfs/dbraw/zinc/18/74/20/565187420.db2.gz KQOWEGPMYRTYTL-CYBMUJFWSA-N 0 0 382.507 3.491 10 5 GGBERN C[C@H]1CCOCCN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000371541883 565198704 /nfs/dbraw/zinc/19/87/04/565198704.db2.gz FZSJTPWRYGAOGY-JTQLQIEISA-N 0 0 378.372 3.343 10 5 GGBERN CCN(CCc1nccs1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000159262991 565199284 /nfs/dbraw/zinc/19/92/84/565199284.db2.gz VNUJDCMAAKPCOS-UHFFFAOYSA-N 0 0 391.421 3.117 10 5 GGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cccc([N+](=O)[O-])c1Br ZINC000371620514 565201872 /nfs/dbraw/zinc/20/18/72/565201872.db2.gz XGZCRVAMICRCIU-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN C[C@@H]1N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000371783522 565209726 /nfs/dbraw/zinc/20/97/26/565209726.db2.gz JTPANRBNTPTRCV-NSHDSACASA-N 0 0 383.242 3.389 10 5 GGBERN C[C@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2Br)CCC12CCOCC2 ZINC000371829746 565211965 /nfs/dbraw/zinc/21/19/65/565211965.db2.gz VXLYBCSVOPYIOH-LLVKDONJSA-N 0 0 383.242 3.389 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000159785275 565217999 /nfs/dbraw/zinc/21/79/99/565217999.db2.gz UGNFEAPPOYVIJE-OCCSQVGLSA-N 0 0 382.463 3.103 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(C(F)(F)F)n2)s1 ZINC000294874006 565233119 /nfs/dbraw/zinc/23/31/19/565233119.db2.gz DLBSPDXFKYFMPM-UHFFFAOYSA-N 0 0 381.357 3.086 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000186170361 565244537 /nfs/dbraw/zinc/24/45/37/565244537.db2.gz PEOPUBICUHJHOO-LBPRGKRZSA-N 0 0 376.862 3.184 10 5 GGBERN CCOC(=O)C1CCC(Sc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000295091969 565244826 /nfs/dbraw/zinc/24/48/26/565244826.db2.gz ZJLVEVGAJNCOGC-UHFFFAOYSA-N 0 0 393.508 3.274 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)n1 ZINC000271337141 565248331 /nfs/dbraw/zinc/24/83/31/565248331.db2.gz BYGKWOWOZIGRCV-UHFFFAOYSA-N 0 0 380.857 3.379 10 5 GGBERN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])Sc1ccc(Br)cc1 ZINC000271337055 565248609 /nfs/dbraw/zinc/24/86/09/565248609.db2.gz BUGYMTIDZNVWHW-VIFPVBQESA-N 0 0 399.270 3.001 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CCN(c3ccccc3)CC2)s1 ZINC000271323622 565248635 /nfs/dbraw/zinc/24/86/35/565248635.db2.gz URFMGLPSYDWVTL-UHFFFAOYSA-N 0 0 381.479 3.141 10 5 GGBERN CC(C)Oc1cc(Br)cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000271376006 565251033 /nfs/dbraw/zinc/25/10/33/565251033.db2.gz IVRYFVSCMUBEQF-UHFFFAOYSA-N 0 0 383.202 3.130 10 5 GGBERN C[C@]12CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C[C@H]1C2(F)F ZINC000295326681 565260014 /nfs/dbraw/zinc/26/00/14/565260014.db2.gz MLZSEGXODBFFLS-MFKMUULPSA-N 0 0 375.169 3.475 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCCc3cc(Br)ccc32)n1 ZINC000271584146 565260120 /nfs/dbraw/zinc/26/01/20/565260120.db2.gz RJUADHRVUAMERI-UHFFFAOYSA-N 0 0 379.214 3.074 10 5 GGBERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000161001805 565268077 /nfs/dbraw/zinc/26/80/77/565268077.db2.gz WSIWFUYMMXBCLA-GXSJLCMTSA-N 0 0 377.447 3.271 10 5 GGBERN O=C(c1csc(Br)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373312727 565278823 /nfs/dbraw/zinc/27/88/23/565278823.db2.gz DNPSDXSCVVKZHJ-UHFFFAOYSA-N 0 0 385.243 3.093 10 5 GGBERN Cc1cnc([C@H](C)CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000186733983 565281780 /nfs/dbraw/zinc/28/17/80/565281780.db2.gz OZGFBIZFAKOUHF-MRVPVSSYSA-N 0 0 389.886 3.404 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000295804236 565287121 /nfs/dbraw/zinc/28/71/21/565287121.db2.gz SRJXRIVEFZLVOW-TZMCWYRMSA-N 0 0 379.214 3.480 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(NC(=O)C3CC3)cc2)s1 ZINC000272817779 565298501 /nfs/dbraw/zinc/29/85/01/565298501.db2.gz IJDFEGPSSHPDGS-UHFFFAOYSA-N 0 0 382.419 3.201 10 5 GGBERN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CC(CO)C1 ZINC000186981209 565300186 /nfs/dbraw/zinc/30/01/86/565300186.db2.gz WLTNXZWDSJBVLW-UHFFFAOYSA-N 0 0 378.837 3.464 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000373810592 565304557 /nfs/dbraw/zinc/30/45/57/565304557.db2.gz BPHPGIJILAGHAI-UHFFFAOYSA-N 0 0 393.197 3.048 10 5 GGBERN O=[N+]([O-])c1cnc(NCCc2nc(-c3ccccc3)n[nH]2)c(Br)c1 ZINC000162148134 565306939 /nfs/dbraw/zinc/30/69/39/565306939.db2.gz HSKGAAJLZQUQID-UHFFFAOYSA-N 0 0 389.213 3.192 10 5 GGBERN C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1c(Cl)ccc(F)c1Cl ZINC000162260324 565311612 /nfs/dbraw/zinc/31/16/12/565311612.db2.gz YWLMWPMOOIHHDR-QMMMGPOBSA-N 0 0 388.182 3.080 10 5 GGBERN COC(=O)CCSc1ncccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000273250638 565314162 /nfs/dbraw/zinc/31/41/62/565314162.db2.gz KZUFDSHZYQUGBZ-UHFFFAOYSA-N 0 0 381.435 3.267 10 5 GGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000374370823 565335282 /nfs/dbraw/zinc/33/52/82/565335282.db2.gz GNTLQZVYSXYVQW-GFCCVEGCSA-N 0 0 392.209 3.193 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000374543589 565344779 /nfs/dbraw/zinc/34/47/79/565344779.db2.gz MYZRAWONRNMKGL-KRWDZBQOSA-N 0 0 392.253 3.283 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000374548933 565344828 /nfs/dbraw/zinc/34/48/28/565344828.db2.gz JHQKXJDSRQYJBU-KRWDZBQOSA-N 0 0 392.253 3.283 10 5 GGBERN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nccs1 ZINC000163372965 565345150 /nfs/dbraw/zinc/34/51/50/565345150.db2.gz DPXCNXSOSNMGAG-SNVBAGLBSA-N 0 0 395.384 3.500 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187717477 565351386 /nfs/dbraw/zinc/35/13/86/565351386.db2.gz JZUDQWWTSSYLSE-WFASDCNBSA-N 0 0 378.475 3.226 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](Cc2ccncc2)C1 ZINC000374709576 565352266 /nfs/dbraw/zinc/35/22/66/565352266.db2.gz JSEGKWKCSZTTOU-CYBMUJFWSA-N 0 0 390.237 3.457 10 5 GGBERN CO[C@H]1COCC[C@@H]1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000297055536 565352508 /nfs/dbraw/zinc/35/25/08/565352508.db2.gz MFJBTRODDAYNLJ-YGRLFVJLSA-N 0 0 387.230 3.046 10 5 GGBERN CO[C@H]1COCC[C@H]1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000297055524 565352626 /nfs/dbraw/zinc/35/26/26/565352626.db2.gz MFJBTRODDAYNLJ-HZMBPMFUSA-N 0 0 387.230 3.046 10 5 GGBERN O=C(Cn1ccc([N+](=O)[O-])n1)N(c1nccs1)c1ccc(F)c(Cl)c1 ZINC000163999543 565354584 /nfs/dbraw/zinc/35/45/84/565354584.db2.gz JIPKMSCOIPAXDQ-UHFFFAOYSA-N 0 0 381.776 3.405 10 5 GGBERN CCOC(=O)Cc1cnc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000297322279 565367801 /nfs/dbraw/zinc/36/78/01/565367801.db2.gz ZHGFFRREUWREHY-UHFFFAOYSA-N 0 0 383.813 3.371 10 5 GGBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCC2 ZINC000375093453 565368169 /nfs/dbraw/zinc/36/81/69/565368169.db2.gz JVIITDHZYYUOIR-OLZOCXBDSA-N 0 0 398.257 3.172 10 5 GGBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCC2 ZINC000375093450 565368258 /nfs/dbraw/zinc/36/82/58/565368258.db2.gz JVIITDHZYYUOIR-CHWSQXEVSA-N 0 0 398.257 3.172 10 5 GGBERN Cc1nc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cs1 ZINC000188013606 565370934 /nfs/dbraw/zinc/37/09/34/565370934.db2.gz WCKHWTKCOVZPID-CYBMUJFWSA-N 0 0 385.442 3.333 10 5 GGBERN Cc1cnc(CCN(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])s1 ZINC000166015714 565373590 /nfs/dbraw/zinc/37/35/90/565373590.db2.gz GSOXJOXKLVLXPD-UHFFFAOYSA-N 0 0 391.421 3.035 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccccc2I)nc1 ZINC000375200100 565375036 /nfs/dbraw/zinc/37/50/36/565375036.db2.gz FSGDEQIPRSDWIJ-ZDUSSCGKSA-N 0 0 396.188 3.331 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375339214 565381496 /nfs/dbraw/zinc/38/14/96/565381496.db2.gz XIRHZPMKPUXCJY-INIZCTEOSA-N 0 0 383.242 3.308 10 5 GGBERN CN(C(=O)CSc1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000188146508 565382501 /nfs/dbraw/zinc/38/25/01/565382501.db2.gz ZSWCZVANZOIBDT-UHFFFAOYSA-N 0 0 378.357 3.220 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000170806104 565393398 /nfs/dbraw/zinc/39/33/98/565393398.db2.gz NVMPCALLZZYPOT-OAHLLOKOSA-N 0 0 376.210 3.478 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000170794692 565393472 /nfs/dbraw/zinc/39/34/72/565393472.db2.gz VPMPZCQIMIRBSP-QMMMGPOBSA-N 0 0 391.268 3.458 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000375551597 565394602 /nfs/dbraw/zinc/39/46/02/565394602.db2.gz GBXNBVYCKJVFHS-BXUZGUMPSA-N 0 0 384.230 3.436 10 5 GGBERN Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000375579236 565395665 /nfs/dbraw/zinc/39/56/65/565395665.db2.gz UOSAVTGHXSUDTJ-LBPRGKRZSA-N 0 0 379.214 3.149 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000375559555 565395845 /nfs/dbraw/zinc/39/58/45/565395845.db2.gz GCLNIICISDPKGG-GHMZBOCLSA-N 0 0 384.230 3.248 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C1CCN(CC(F)F)CC1 ZINC000298018603 565396404 /nfs/dbraw/zinc/39/64/04/565396404.db2.gz TZBICCYDJDQWKQ-UHFFFAOYSA-N 0 0 392.200 3.273 10 5 GGBERN Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000188412085 565399812 /nfs/dbraw/zinc/39/98/12/565399812.db2.gz XLJPDAIDLMAEJL-CQSZACIVSA-N 0 0 382.825 3.359 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCN(Cc2cscn2)CC1 ZINC000171023161 565404516 /nfs/dbraw/zinc/40/45/16/565404516.db2.gz FMKRPNQVRRDQFX-UHFFFAOYSA-N 0 0 380.857 3.053 10 5 GGBERN Cc1sc(C(=O)Nc2cc(-c3cccs3)nn2CCO)cc1[N+](=O)[O-] ZINC000171228465 565418837 /nfs/dbraw/zinc/41/88/37/565418837.db2.gz VTUQYAPPJCJCIZ-UHFFFAOYSA-N 0 0 378.435 3.134 10 5 GGBERN Cc1nn(C)c(C(=O)N2CC(C)(C)c3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000376156290 565424907 /nfs/dbraw/zinc/42/49/07/565424907.db2.gz HGCMYIOMZICNFC-UHFFFAOYSA-N 0 0 393.241 3.337 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCNC(=O)c1cccs1 ZINC000275818196 565428086 /nfs/dbraw/zinc/42/80/86/565428086.db2.gz NJPGLCHBTXCHCY-UHFFFAOYSA-N 0 0 381.841 3.168 10 5 GGBERN CCc1n[nH]c(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000171399915 565429321 /nfs/dbraw/zinc/42/93/21/565429321.db2.gz UTXGVQLEJDGHNT-VIFPVBQESA-N 0 0 381.230 3.004 10 5 GGBERN Cc1csc(NC2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)n1 ZINC000376483523 565438322 /nfs/dbraw/zinc/43/83/22/565438322.db2.gz FCDFGEBLAKZUMG-UHFFFAOYSA-N 0 0 376.467 3.445 10 5 GGBERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000171825066 565452869 /nfs/dbraw/zinc/45/28/69/565452869.db2.gz PUPNFSKURIBRJK-WDEREUQCSA-N 0 0 379.463 3.200 10 5 GGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@@H](c2nccs2)C1 ZINC000171853558 565454939 /nfs/dbraw/zinc/45/49/39/565454939.db2.gz FOTPMLNZILEVER-GFCCVEGCSA-N 0 0 375.431 3.480 10 5 GGBERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000189397914 565463973 /nfs/dbraw/zinc/46/39/73/565463973.db2.gz RNNMSPXIIJLAPC-UISBYWKRSA-N 0 0 389.633 3.308 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1ccc(Br)s1 ZINC000172111714 565467174 /nfs/dbraw/zinc/46/71/74/565467174.db2.gz QMQGGZNIZTWBES-UHFFFAOYSA-N 0 0 385.239 3.286 10 5 GGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2cccc(Br)c2C1 ZINC000301256486 565475926 /nfs/dbraw/zinc/47/59/26/565475926.db2.gz BOEASAGOXUVRGK-UHFFFAOYSA-N 0 0 390.237 3.280 10 5 GGBERN COc1cnccc1[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000189589268 565476784 /nfs/dbraw/zinc/47/67/84/565476784.db2.gz FIBWMMFRVYXFJD-VIFPVBQESA-N 0 0 380.198 3.252 10 5 GGBERN C[C@@H]1[C@H](C)SCCN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301282719 565477188 /nfs/dbraw/zinc/47/71/88/565477188.db2.gz LHCWVLJMCSCXIG-MNOVXSKESA-N 0 0 380.857 3.124 10 5 GGBERN CNS(=O)(=O)c1ccc(N[C@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000301298337 565477507 /nfs/dbraw/zinc/47/75/07/565477507.db2.gz ZFOIAZGWCWPXMG-SECBINFHSA-N 0 0 387.820 3.469 10 5 GGBERN Cc1sc(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000189657305 565479691 /nfs/dbraw/zinc/47/96/91/565479691.db2.gz XMBRWKJWSZOGDW-VIFPVBQESA-N 0 0 379.404 3.357 10 5 GGBERN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000172398232 565483747 /nfs/dbraw/zinc/48/37/47/565483747.db2.gz YILDVDXSKQBZMD-OAHLLOKOSA-N 0 0 379.210 3.475 10 5 GGBERN Cn1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3Br)C2)cn1 ZINC000301454515 565486883 /nfs/dbraw/zinc/48/68/83/565486883.db2.gz YISCXCROHLELSU-LLVKDONJSA-N 0 0 380.246 3.172 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCN(Cc3ccccc3)CC2)c(Br)c1 ZINC000301509716 565491433 /nfs/dbraw/zinc/49/14/33/565491433.db2.gz CSEPQZWBEGWEIP-UHFFFAOYSA-N 0 0 377.242 3.075 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(F)cc3Br)cc2N1 ZINC000301630867 565501071 /nfs/dbraw/zinc/50/10/71/565501071.db2.gz BKRKCHZDFVXTKK-UHFFFAOYSA-N 0 0 396.172 3.439 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3ncccc3C2)c(Cl)cc1Cl ZINC000377840289 565501589 /nfs/dbraw/zinc/50/15/89/565501589.db2.gz QUGAHKMTLUVYHX-UHFFFAOYSA-N 0 0 388.232 3.044 10 5 GGBERN Cn1c(Cl)c(Cl)cc1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301668971 565503102 /nfs/dbraw/zinc/50/31/02/565503102.db2.gz YADVYMODAZFKMY-UHFFFAOYSA-N 0 0 378.237 3.256 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1Sc1ncn(-c2ccccc2)n1 ZINC000301672673 565503440 /nfs/dbraw/zinc/50/34/40/565503440.db2.gz GEUJPLZJXRCKJF-UHFFFAOYSA-N 0 0 378.211 3.484 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NCCc1csc(N2CCCC2)n1 ZINC000301683496 565504622 /nfs/dbraw/zinc/50/46/22/565504622.db2.gz KMWJAUQBOSVFER-UHFFFAOYSA-N 0 0 398.286 3.464 10 5 GGBERN O=C(C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000301690862 565504839 /nfs/dbraw/zinc/50/48/39/565504839.db2.gz WILVMOBVMDBETN-UHFFFAOYSA-N 0 0 382.258 3.196 10 5 GGBERN COc1ccccc1N1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301679904 565504870 /nfs/dbraw/zinc/50/48/70/565504870.db2.gz SEJDXVJTLUUCLM-LBPRGKRZSA-N 0 0 393.241 3.452 10 5 GGBERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000190089302 565507304 /nfs/dbraw/zinc/50/73/04/565507304.db2.gz YTNVPSZCARMPPP-MFKMUULPSA-N 0 0 383.202 3.015 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2ccc(Br)cn2)CC1 ZINC000301744826 565508374 /nfs/dbraw/zinc/50/83/74/565508374.db2.gz NMVMWJTYMIFHLQ-UHFFFAOYSA-N 0 0 398.648 3.127 10 5 GGBERN CO[C@@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301791323 565510848 /nfs/dbraw/zinc/51/08/48/565510848.db2.gz RGHWEOOJNSYQJT-NXEZZACHSA-N 0 0 382.360 3.258 10 5 GGBERN Cc1nc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c(C)s1 ZINC000301828661 565512088 /nfs/dbraw/zinc/51/20/88/565512088.db2.gz GJYNNAWZTHCHBI-UHFFFAOYSA-N 0 0 377.394 3.277 10 5 GGBERN CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000301824958 565512237 /nfs/dbraw/zinc/51/22/37/565512237.db2.gz MARMSYNJDMERFJ-OAHLLOKOSA-N 0 0 392.253 3.469 10 5 GGBERN O=C(c1ccccn1)N1CC[C@@H](Nc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000301828333 565512456 /nfs/dbraw/zinc/51/24/56/565512456.db2.gz GEFHOUZCSOBFCL-GFCCVEGCSA-N 0 0 391.225 3.079 10 5 GGBERN COCCN(Cc1sccc1Br)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000190169181 565513834 /nfs/dbraw/zinc/51/38/34/565513834.db2.gz RBUHYNLVLCFTNE-UHFFFAOYSA-N 0 0 389.227 3.301 10 5 GGBERN Nc1nc(NCc2ccc(Br)cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC000301857190 565514079 /nfs/dbraw/zinc/51/40/79/565514079.db2.gz BFDFLSRTXOSGAC-UHFFFAOYSA-N 0 0 392.135 3.360 10 5 GGBERN CS(=O)(=O)c1cccc(NC2CCN(c3cccs3)CC2)c1[N+](=O)[O-] ZINC000301888770 565516606 /nfs/dbraw/zinc/51/66/06/565516606.db2.gz NEPPLFZDAOXYBF-UHFFFAOYSA-N 0 0 381.479 3.141 10 5 GGBERN CC(C)OC(=O)N1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301896763 565517019 /nfs/dbraw/zinc/51/70/19/565517019.db2.gz QQDLWCBPVUYOBA-UHFFFAOYSA-N 0 0 387.234 3.174 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(O)c3)C2)c(Br)c1 ZINC000301892568 565517072 /nfs/dbraw/zinc/51/70/72/565517072.db2.gz VWEDXKUOMYCSEE-CQSZACIVSA-N 0 0 380.198 3.036 10 5 GGBERN Cc1csc(C2CCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])CC2)n1 ZINC000301900351 565517830 /nfs/dbraw/zinc/51/78/30/565517830.db2.gz URLHIQHEOCUCSU-UHFFFAOYSA-N 0 0 381.479 3.147 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1c(Br)cncc1[N+](=O)[O-] ZINC000301920103 565518532 /nfs/dbraw/zinc/51/85/32/565518532.db2.gz KKQDUYUOVPJTMA-UHFFFAOYSA-N 0 0 394.151 3.141 10 5 GGBERN CCc1cnc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000173035321 565521424 /nfs/dbraw/zinc/52/14/24/565521424.db2.gz LLPSDXVLICVVKJ-UHFFFAOYSA-N 0 0 384.255 3.349 10 5 GGBERN O=[N+]([O-])c1ccc(NCCS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000301978865 565522857 /nfs/dbraw/zinc/52/28/57/565522857.db2.gz HBXDAXSDMXZKBH-UHFFFAOYSA-N 0 0 385.239 3.243 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000378395453 565524840 /nfs/dbraw/zinc/52/48/40/565524840.db2.gz BKNGLRGWQBPFDT-UHFFFAOYSA-N 0 0 379.825 3.121 10 5 GGBERN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccccc1Br ZINC000302018160 565525562 /nfs/dbraw/zinc/52/55/62/565525562.db2.gz ZLBMMJCBDZVGND-JTQLQIEISA-N 0 0 392.213 3.279 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(Cl)cn1 ZINC000302037382 565526667 /nfs/dbraw/zinc/52/66/67/565526667.db2.gz VFEOHKHXZFXEEY-UHFFFAOYSA-N 0 0 377.756 3.252 10 5 GGBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1C(F)(F)F ZINC000190391659 565527448 /nfs/dbraw/zinc/52/74/48/565527448.db2.gz WWALVQJCYBRUSW-GFCCVEGCSA-N 0 0 384.351 3.333 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000190421666 565530913 /nfs/dbraw/zinc/53/09/13/565530913.db2.gz PIMJJTOHJDXICH-UHFFFAOYSA-N 0 0 380.857 3.350 10 5 GGBERN NS(=O)(=O)c1cccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000302149721 565532466 /nfs/dbraw/zinc/53/24/66/565532466.db2.gz STZPXSGXHUTFMZ-HNNXBMFYSA-N 0 0 381.841 3.459 10 5 GGBERN Cc1noc(C)c1CO[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000302178694 565534648 /nfs/dbraw/zinc/53/46/48/565534648.db2.gz XIMUMCDLAGEZBX-NSHDSACASA-N 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/nfs/dbraw/zinc/54/89/99/565548999.db2.gz PNDCQBVXVIDLRN-GFCCVEGCSA-N 0 0 381.479 3.147 10 5 GGBERN Cc1cc(N[C@@H]2CCCN(c3cnn(C)c3)C2)c(Br)cc1[N+](=O)[O-] ZINC000302697392 565550887 /nfs/dbraw/zinc/55/08/87/565550887.db2.gz TXPMVDLQUMPXJB-GFCCVEGCSA-N 0 0 394.273 3.480 10 5 GGBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000173480786 565560839 /nfs/dbraw/zinc/56/08/39/565560839.db2.gz LWMCTGSZTHQFEV-SECBINFHSA-N 0 0 395.257 3.069 10 5 GGBERN CN(C)c1noc(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)n1 ZINC000302860930 565561777 /nfs/dbraw/zinc/56/17/77/565561777.db2.gz UULKTWPLJDPWMN-UHFFFAOYSA-N 0 0 396.245 3.190 10 5 GGBERN CCOc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000303326529 565569700 /nfs/dbraw/zinc/56/97/00/565569700.db2.gz MVZAQYLEYJMSCN-UHFFFAOYSA-N 0 0 388.804 3.265 10 5 GGBERN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1Cl ZINC000173709464 565578589 /nfs/dbraw/zinc/57/85/89/565578589.db2.gz KZLSGGOWPSTJOG-SECBINFHSA-N 0 0 376.843 3.056 10 5 GGBERN 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Cc1c(Br)c(N2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000323396434 565613943 /nfs/dbraw/zinc/61/39/43/565613943.db2.gz MBXIRVQERVNURX-UHFFFAOYSA-N 0 0 377.242 3.387 10 5 GGBERN Cc1cc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)no1 ZINC000279473419 565614633 /nfs/dbraw/zinc/61/46/33/565614633.db2.gz NDZWITQNHKDUMX-UHFFFAOYSA-N 0 0 380.209 3.019 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)Cc2ccc(Br)cc2)n1 ZINC000191594470 565615795 /nfs/dbraw/zinc/61/57/95/565615795.db2.gz HWFZGHZDKVOLSR-UHFFFAOYSA-N 0 0 395.257 3.325 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3Br)CC2)n1 ZINC000191632362 565618216 /nfs/dbraw/zinc/61/82/16/565618216.db2.gz MNIAUTBNLRULPV-UHFFFAOYSA-N 0 0 393.241 3.035 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)n1 ZINC000191619362 565618420 /nfs/dbraw/zinc/61/84/20/565618420.db2.gz PPLABLFJZZROFM-AWEZNQCLSA-N 0 0 380.857 3.395 10 5 GGBERN COC(=O)[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000325836151 565622508 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Cc1cc(F)cc([C@]2(F)CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)c1 ZINC000409890113 565646539 /nfs/dbraw/zinc/64/65/39/565646539.db2.gz GVBVAALZMTZGNR-HNNXBMFYSA-N 0 0 388.417 3.363 10 5 GGBERN Cc1cc(F)cc([C@@]2(F)CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)c1 ZINC000409890114 565646559 /nfs/dbraw/zinc/64/65/59/565646559.db2.gz GVBVAALZMTZGNR-OAHLLOKOSA-N 0 0 388.417 3.363 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c(C(F)(F)F)c1 ZINC000409919331 565648716 /nfs/dbraw/zinc/64/87/16/565648716.db2.gz BTIFHVWSNZFLPW-SNVBAGLBSA-N 0 0 388.314 3.422 10 5 GGBERN Cc1cc(C)c(S(=O)(=O)N(CCc2nccs2)C(C)C)cc1[N+](=O)[O-] ZINC000192082122 565656748 /nfs/dbraw/zinc/65/67/48/565656748.db2.gz JGSHBEOTBJUQGA-UHFFFAOYSA-N 0 0 383.495 3.310 10 5 GGBERN CCN(CC)C(=O)CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280429094 565671979 /nfs/dbraw/zinc/67/19/79/565671979.db2.gz BCHAJUCZYQLLMC-UHFFFAOYSA-N 0 0 386.246 3.253 10 5 GGBERN CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280433218 565672108 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Cc1c(NC(=O)N2CCC[C@](C)(O)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280671012 565687828 /nfs/dbraw/zinc/68/78/28/565687828.db2.gz DZKYVJAHEOYKEG-HNNXBMFYSA-N 0 0 386.246 3.435 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@](C)(O)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280671016 565688221 /nfs/dbraw/zinc/68/82/21/565688221.db2.gz DZKYVJAHEOYKEG-OAHLLOKOSA-N 0 0 386.246 3.435 10 5 GGBERN Cc1nccn1CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280697581 565689271 /nfs/dbraw/zinc/68/92/71/565689271.db2.gz HLDNQYWAYUJQGD-UHFFFAOYSA-N 0 0 396.245 3.382 10 5 GGBERN CCCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 ZINC000280711023 565690064 /nfs/dbraw/zinc/69/00/64/565690064.db2.gz HLEBICFFRVNCDM-UHFFFAOYSA-N 0 0 384.230 3.005 10 5 GGBERN CC(=O)NCCCCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280718951 565690110 /nfs/dbraw/zinc/69/01/10/565690110.db2.gz NANNUPUTSRCUIN-UHFFFAOYSA-N 0 0 386.246 3.301 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@H]2C[C@@H](C)O)cc(Br)cc1[N+](=O)[O-] ZINC000280734037 565692101 /nfs/dbraw/zinc/69/21/01/565692101.db2.gz KTOWAMIEJPWFJU-SKDRFNHKSA-N 0 0 386.246 3.433 10 5 GGBERN CCC1(O)CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000280744175 565692344 /nfs/dbraw/zinc/69/23/44/565692344.db2.gz LXRSBPAHSRIYEN-UHFFFAOYSA-N 0 0 386.246 3.435 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@H]2C[C@H](C)O)cc(Br)cc1[N+](=O)[O-] ZINC000280734035 565692476 /nfs/dbraw/zinc/69/24/76/565692476.db2.gz KTOWAMIEJPWFJU-JOYOIKCWSA-N 0 0 386.246 3.433 10 5 GGBERN Cc1c(NC(=O)N(C)CCc2cnccn2)cc(Br)cc1[N+](=O)[O-] ZINC000280756245 565693939 /nfs/dbraw/zinc/69/39/39/565693939.db2.gz NAHBNXYNXOXICT-UHFFFAOYSA-N 0 0 394.229 3.162 10 5 GGBERN Cc1c(NC(=O)N[C@@H](C)Cn2ccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000280813380 565698002 /nfs/dbraw/zinc/69/80/02/565698002.db2.gz SQPPAUKELRTZCC-VIFPVBQESA-N 0 0 382.218 3.072 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(I)cc1C ZINC000175407432 565698590 /nfs/dbraw/zinc/69/85/90/565698590.db2.gz PMAYWPNRHHVBEM-UHFFFAOYSA-N 0 0 397.172 3.464 10 5 GGBERN Cc1c(NC(=O)[C@H](C)OC[C@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280844013 565700087 /nfs/dbraw/zinc/70/00/87/565700087.db2.gz ZFFGTHPLGSVXEE-CMPLNLGQSA-N 0 0 387.230 3.188 10 5 GGBERN Cc1c(NC(=O)[C@H](C)OC[C@@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280844016 565700180 /nfs/dbraw/zinc/70/01/80/565700180.db2.gz ZFFGTHPLGSVXEE-JQWIXIFHSA-N 0 0 387.230 3.188 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(C3CC3)n2)n1 ZINC000410961240 565702356 /nfs/dbraw/zinc/70/23/56/565702356.db2.gz HJNUFLRBFBGNBG-UHFFFAOYSA-N 0 0 380.202 3.098 10 5 GGBERN Nc1nccc([C@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000192757677 565708893 /nfs/dbraw/zinc/70/88/93/565708893.db2.gz PDOWYOGMQRNKFV-JTQLQIEISA-N 0 0 378.230 3.114 10 5 GGBERN CCN(C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1)CC(F)(F)F ZINC000175652278 565713930 /nfs/dbraw/zinc/71/39/30/565713930.db2.gz UMHADWIRGPUDKT-NSHDSACASA-N 0 0 379.404 3.311 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000175672384 565714925 /nfs/dbraw/zinc/71/49/25/565714925.db2.gz IPUIBUPRUGRJIO-GHMZBOCLSA-N 0 0 389.271 3.168 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000192898722 565717529 /nfs/dbraw/zinc/71/75/29/565717529.db2.gz DXIGGJWUGHDQIQ-UHFFFAOYSA-N 0 0 378.719 3.307 10 5 GGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175720820 565719324 /nfs/dbraw/zinc/71/93/24/565719324.db2.gz PCUWWJPBZAGPOF-SECBINFHSA-N 0 0 387.230 3.160 10 5 GGBERN CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1O ZINC000330711957 565720048 /nfs/dbraw/zinc/72/00/48/565720048.db2.gz ASSHNBPRCYWUSD-DZGCQCFKSA-N 0 0 399.285 3.155 10 5 GGBERN CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000330711959 565720263 /nfs/dbraw/zinc/72/02/63/565720263.db2.gz ASSHNBPRCYWUSD-HIFRSBDPSA-N 0 0 399.285 3.155 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000193010206 565724797 /nfs/dbraw/zinc/72/47/97/565724797.db2.gz KRVKOTQXNSPPBJ-UHFFFAOYSA-N 0 0 382.825 3.277 10 5 GGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1O ZINC000330859780 565726609 /nfs/dbraw/zinc/72/66/09/565726609.db2.gz RIYPEGKENKFPLL-TZMCWYRMSA-N 0 0 385.258 3.226 10 5 GGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330854920 565726616 /nfs/dbraw/zinc/72/66/16/565726616.db2.gz OZCDOAVECLXGHZ-KGLIPLIRSA-N 0 0 385.258 3.226 10 5 GGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1O ZINC000330859777 565726668 /nfs/dbraw/zinc/72/66/68/565726668.db2.gz RIYPEGKENKFPLL-GXTWGEPZSA-N 0 0 385.258 3.226 10 5 GGBERN CCc1cnc(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000176018926 565740995 /nfs/dbraw/zinc/74/09/95/565740995.db2.gz DDNSDMCEWXDEMM-UHFFFAOYSA-N 0 0 384.255 3.349 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)NC1(C2CCC2)CCC1 ZINC000411689613 565745683 /nfs/dbraw/zinc/74/56/83/565745683.db2.gz DPOPLUTYICMROE-UHFFFAOYSA-N 0 0 396.241 3.135 10 5 GGBERN CCOC(=O)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000193823753 565777573 /nfs/dbraw/zinc/77/75/73/565777573.db2.gz PKDGILDSJAWAIB-UHFFFAOYSA-N 0 0 387.230 3.161 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000412468767 565790269 /nfs/dbraw/zinc/79/02/69/565790269.db2.gz XJUKVVIJHNDVIR-OAHLLOKOSA-N 0 0 383.242 3.307 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C2CCC2)C1 ZINC000412469271 565790301 /nfs/dbraw/zinc/79/03/01/565790301.db2.gz XZMQAXGXCSWKLB-HNNXBMFYSA-N 0 0 383.242 3.307 10 5 GGBERN COc1cccc(C(=O)NCc2cc(F)cc(Br)c2)c1[N+](=O)[O-] ZINC000194106171 565794904 /nfs/dbraw/zinc/79/49/04/565794904.db2.gz HENOBJYAUNGFTD-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(F)cc1Cl ZINC000176726478 565798083 /nfs/dbraw/zinc/79/80/83/565798083.db2.gz PDOBIMXMBMMYPF-UHFFFAOYSA-N 0 0 378.740 3.336 10 5 GGBERN CN(C)c1ncccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000176788938 565802560 /nfs/dbraw/zinc/80/25/60/565802560.db2.gz SHWVDJYURRCYLQ-UHFFFAOYSA-N 0 0 379.214 3.095 10 5 GGBERN C[C@H]1CC(C)(C)CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000412775786 565811298 /nfs/dbraw/zinc/81/12/98/565811298.db2.gz FHNAIUDUCSYQFD-VIFPVBQESA-N 0 0 388.205 3.460 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(OC(F)(F)F)cc2)s1 ZINC000194399061 565813076 /nfs/dbraw/zinc/81/30/76/565813076.db2.gz PXIJYDJHIOFLJG-UHFFFAOYSA-N 0 0 382.341 3.033 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000194433526 565815369 /nfs/dbraw/zinc/81/53/69/565815369.db2.gz MCCVOCVYDQWFBX-BBRMVZONSA-N 0 0 382.463 3.103 10 5 GGBERN CCC1(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)CCC1 ZINC000194675902 565830207 /nfs/dbraw/zinc/83/02/07/565830207.db2.gz VHMUUGFGHUOVMZ-UHFFFAOYSA-N 0 0 384.230 3.053 10 5 GGBERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177198745 565834465 /nfs/dbraw/zinc/83/44/65/565834465.db2.gz XGKHCFYXUPGXSW-CYBMUJFWSA-N 0 0 393.241 3.167 10 5 GGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177198730 565835081 /nfs/dbraw/zinc/83/50/81/565835081.db2.gz XGKHCFYXUPGXSW-ZDUSSCGKSA-N 0 0 393.241 3.167 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000284108948 565842352 /nfs/dbraw/zinc/84/23/52/565842352.db2.gz BPQDFLLMYHBEET-UHFFFAOYSA-N 0 0 388.873 3.138 10 5 GGBERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177357249 565845403 /nfs/dbraw/zinc/84/54/03/565845403.db2.gz PKNAPLZOFGMJRG-JTQLQIEISA-N 0 0 399.241 3.161 10 5 GGBERN O=C1Nc2ccccc2[C@H]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000177543402 565858380 /nfs/dbraw/zinc/85/83/80/565858380.db2.gz KETRLWYQHAZFLJ-LLVKDONJSA-N 0 0 377.198 3.290 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)Oc2ccc(Br)cc21 ZINC000195270499 565870835 /nfs/dbraw/zinc/87/08/35/565870835.db2.gz MLWXTUCSEULHDG-VIFPVBQESA-N 0 0 392.209 3.488 10 5 GGBERN COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000413771315 565874104 /nfs/dbraw/zinc/87/41/04/565874104.db2.gz VFNPIPNVVKTAKE-VHSXEESVSA-N 0 0 385.214 3.194 10 5 GGBERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000178323811 565912666 /nfs/dbraw/zinc/91/26/66/565912666.db2.gz PJULCJAMBGXKBK-JTQLQIEISA-N 0 0 399.241 3.161 10 5 GGBERN Cn1nccc1C1=CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000285816919 565927954 /nfs/dbraw/zinc/92/79/54/565927954.db2.gz AOHPOEGXVVAOOG-UHFFFAOYSA-N 0 0 391.225 3.020 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCc2csc3ccccc23)c1 ZINC000178639204 565931567 /nfs/dbraw/zinc/93/15/67/565931567.db2.gz SCRXNQRMHROZGS-UHFFFAOYSA-N 0 0 376.459 3.472 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCc2ccc(Br)cc2)c1 ZINC000178704546 565933950 /nfs/dbraw/zinc/93/39/50/565933950.db2.gz RMRMNYLKLHTFDD-UHFFFAOYSA-N 0 0 399.266 3.019 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC3CC2(C(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000414468630 565939263 /nfs/dbraw/zinc/93/92/63/565939263.db2.gz GUUZJEKERDSCRT-UHFFFAOYSA-N 0 0 384.763 3.272 10 5 GGBERN Cc1c(Br)cc(C(=O)NCCCc2ccccn2)cc1[N+](=O)[O-] ZINC000178852345 565941782 /nfs/dbraw/zinc/94/17/82/565941782.db2.gz GDTGRTZWFKRBGO-UHFFFAOYSA-N 0 0 378.226 3.423 10 5 GGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000178947807 565948573 /nfs/dbraw/zinc/94/85/73/565948573.db2.gz SWMGTVWWPJUCCF-QGZVFWFLSA-N 0 0 380.853 3.398 10 5 GGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000360808762 565962231 /nfs/dbraw/zinc/96/22/31/565962231.db2.gz GKTGWXKUEWOUJK-WQVCFCJDSA-N 0 0 385.258 3.126 10 5 GGBERN O=[N+]([O-])c1ccc(N2CCC(c3nnc4n3CCC4)CC2)c(Br)c1 ZINC000363263744 565997908 /nfs/dbraw/zinc/99/79/08/565997908.db2.gz BCDQKVFMTUJBFJ-UHFFFAOYSA-N 0 0 392.257 3.279 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1NC1CCN(CC(F)(F)F)CC1 ZINC000179767141 566007202 /nfs/dbraw/zinc/00/72/02/566007202.db2.gz FKINEWWLMVLFHJ-UHFFFAOYSA-N 0 0 383.168 3.191 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000287277147 566009319 /nfs/dbraw/zinc/00/93/19/566009319.db2.gz YQNPIUVMHXLNAN-CYBMUJFWSA-N 0 0 379.214 3.366 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000363575023 566011706 /nfs/dbraw/zinc/01/17/06/566011706.db2.gz ASCKNQDNDMDGKE-NSHDSACASA-N 0 0 385.207 3.047 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCc3[nH]c4ccccc4c3C2)s1 ZINC000179876521 566014196 /nfs/dbraw/zinc/01/41/96/566014196.db2.gz FSUYJDLUVXKEEX-UHFFFAOYSA-N 0 0 377.447 3.104 10 5 GGBERN Cc1ccc(C2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cn1 ZINC000363668876 566015860 /nfs/dbraw/zinc/01/58/60/566015860.db2.gz AZGCJHUPFUJQTA-UHFFFAOYSA-N 0 0 381.479 3.147 10 5 GGBERN CCc1cnc(CN(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)s1 ZINC000180081343 566031165 /nfs/dbraw/zinc/03/11/65/566031165.db2.gz CBECGRMPYPKZKX-UHFFFAOYSA-N 0 0 389.886 3.396 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N[C@H]3C[C@@](C)(O)C3)cc2[N+](=O)[O-])n1 ZINC000416281213 566050997 /nfs/dbraw/zinc/05/09/97/566050997.db2.gz GEBANZKPGVTQFX-AITUWYQGSA-N 0 0 379.463 3.154 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnn2cc(Br)cnc12 ZINC000180436483 566062912 /nfs/dbraw/zinc/06/29/12/566062912.db2.gz LRIAOUROPDEISJ-UHFFFAOYSA-N 0 0 390.197 3.269 10 5 GGBERN Cc1csc([C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C2CC2)n1 ZINC000416406372 566063505 /nfs/dbraw/zinc/06/35/05/566063505.db2.gz FLOMUEMIGTVKDG-OAHLLOKOSA-N 0 0 381.479 3.406 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3cc(C)c([N+](=O)[O-])cc3C)CCC2)n1 ZINC000416411045 566065167 /nfs/dbraw/zinc/06/51/67/566065167.db2.gz IIGGRKVHMMKPFV-UHFFFAOYSA-N 0 0 381.479 3.334 10 5 GGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000364738155 566066881 /nfs/dbraw/zinc/06/68/81/566066881.db2.gz LIZYLNFPYQPRNJ-AWEZNQCLSA-N 0 0 392.209 3.348 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2c[nH]cn2)CC1 ZINC000364746422 566067508 /nfs/dbraw/zinc/06/75/08/566067508.db2.gz OPQCMCAUQCBESI-UHFFFAOYSA-N 0 0 379.214 3.100 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCc2ccsc2C1 ZINC000416436727 566068641 /nfs/dbraw/zinc/06/86/41/566068641.db2.gz DVMQBPNLAOWYSL-UHFFFAOYSA-N 0 0 392.380 3.422 10 5 GGBERN CO[C@@H](C)CN(C(C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416454692 566069546 /nfs/dbraw/zinc/06/95/46/566069546.db2.gz DZGPOUMIABBARD-JTQLQIEISA-N 0 0 384.376 3.048 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H](Oc2cccnc2)C1 ZINC000180587628 566074742 /nfs/dbraw/zinc/07/47/42/566074742.db2.gz UMCHVUKPLZNJQH-LBPRGKRZSA-N 0 0 392.209 3.046 10 5 GGBERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1Br ZINC000180580152 566074761 /nfs/dbraw/zinc/07/47/61/566074761.db2.gz HWTVARJTKDVESF-QWHCGFSZSA-N 0 0 393.241 3.468 10 5 GGBERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1Br ZINC000180580093 566074932 /nfs/dbraw/zinc/07/49/32/566074932.db2.gz HWTVARJTKDVESF-OLZOCXBDSA-N 0 0 393.241 3.468 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Cl)cn2)c(C(F)(F)F)c1 ZINC000180599691 566076005 /nfs/dbraw/zinc/07/60/05/566076005.db2.gz MTFBQPATWCWPMI-UHFFFAOYSA-N 0 0 395.746 3.141 10 5 GGBERN CC(C)(C)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000416524785 566081254 /nfs/dbraw/zinc/08/12/54/566081254.db2.gz VQUSKOYTGKIAQG-UHFFFAOYSA-N 0 0 377.260 3.024 10 5 GGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000365077432 566081618 /nfs/dbraw/zinc/08/16/18/566081618.db2.gz MLNDVXSPIFCRDY-CABCVRRESA-N 0 0 382.203 3.027 10 5 GGBERN CCOC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000416546423 566084787 /nfs/dbraw/zinc/08/47/87/566084787.db2.gz LKRKVWUDHRMDFS-GFCCVEGCSA-N 0 0 376.862 3.136 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC(OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000416650409 566101363 /nfs/dbraw/zinc/10/13/63/566101363.db2.gz PTJIVXQZKOSCAL-UHFFFAOYSA-N 0 0 388.873 3.279 10 5 GGBERN Cc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181069538 566110882 /nfs/dbraw/zinc/11/08/82/566110882.db2.gz MLPCUCALYOBWPD-CQSZACIVSA-N 0 0 379.210 3.129 10 5 GGBERN Cc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181069517 566110912 /nfs/dbraw/zinc/11/09/12/566110912.db2.gz MLPCUCALYOBWPD-AWEZNQCLSA-N 0 0 379.210 3.129 10 5 GGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1cccc(Br)c1 ZINC000181088227 566112518 /nfs/dbraw/zinc/11/25/18/566112518.db2.gz HHXZBRWOWVJFCN-INIZCTEOSA-N 0 0 393.237 3.140 10 5 GGBERN CCc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181076549 566112579 /nfs/dbraw/zinc/11/25/79/566112579.db2.gz QMYPAGBLVOTFKS-HNNXBMFYSA-N 0 0 393.237 3.383 10 5 GGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2cccc(Br)c2C1 ZINC000181098516 566114713 /nfs/dbraw/zinc/11/47/13/566114713.db2.gz FLDQHINMGFHLDY-UHFFFAOYSA-N 0 0 376.210 3.138 10 5 GGBERN Cc1cc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc([N+](=O)[O-])c1 ZINC000181104762 566114906 /nfs/dbraw/zinc/11/49/06/566114906.db2.gz DUQCLGPPHYBEID-HNNXBMFYSA-N 0 0 379.210 3.129 10 5 GGBERN O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000181097427 566114920 /nfs/dbraw/zinc/11/49/20/566114920.db2.gz ZJEAVBGXGUUKHB-AWEZNQCLSA-N 0 0 399.628 3.474 10 5 GGBERN O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000181111618 566115725 /nfs/dbraw/zinc/11/57/25/566115725.db2.gz QWCURHVYFJWTLM-CYBMUJFWSA-N 0 0 399.628 3.474 10 5 GGBERN COC1(c2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)CCOCC1 ZINC000289287590 566116312 /nfs/dbraw/zinc/11/63/12/566116312.db2.gz URELZSRURWBOIC-UHFFFAOYSA-N 0 0 398.213 3.368 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](n2cccn2)C1 ZINC000365815479 566120614 /nfs/dbraw/zinc/12/06/14/566120614.db2.gz WTSDDOFZUCRUGH-GFCCVEGCSA-N 0 0 380.202 3.033 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@H](CO)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000417079931 566123658 /nfs/dbraw/zinc/12/36/58/566123658.db2.gz TXBCNSWPJPVNQE-QWRGUYRKSA-N 0 0 386.246 3.290 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CCC[C@@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000417073188 566123722 /nfs/dbraw/zinc/12/37/22/566123722.db2.gz JHGRNDCTFFDQKF-PWSUYJOCSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1cncn1C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000366423511 566151235 /nfs/dbraw/zinc/15/12/35/566151235.db2.gz XACKVKUBCOUVBT-UHFFFAOYSA-N 0 0 393.241 3.340 10 5 GGBERN Cc1cncn1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000366422767 566151746 /nfs/dbraw/zinc/15/17/46/566151746.db2.gz WFJMTRKVKKJRCR-UHFFFAOYSA-N 0 0 393.241 3.340 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC(=O)Nc2ccccc21 ZINC000181738798 566163194 /nfs/dbraw/zinc/16/31/94/566163194.db2.gz JAQBMALYEJPUCM-UHFFFAOYSA-N 0 0 377.809 3.326 10 5 GGBERN Cc1nn(C)c(C)c1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181975685 566175903 /nfs/dbraw/zinc/17/59/03/566175903.db2.gz QHLGCVGJGDHBOL-UHFFFAOYSA-N 0 0 382.873 3.050 10 5 GGBERN Cc1c(NC(=O)C(=O)NC2(C)CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000290952659 566197101 /nfs/dbraw/zinc/19/71/01/566197101.db2.gz BHDHESPLJVBJFT-UHFFFAOYSA-N 0 0 384.230 3.053 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@H](n3cccn3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000291786052 566234580 /nfs/dbraw/zinc/23/45/80/566234580.db2.gz PBVHUPSDIPAQOQ-GFCCVEGCSA-N 0 0 394.229 3.341 10 5 GGBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000183034170 566235886 /nfs/dbraw/zinc/23/58/86/566235886.db2.gz UMMHPJMYXUYEMR-LBPRGKRZSA-N 0 0 385.442 3.415 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183344028 566244604 /nfs/dbraw/zinc/24/46/04/566244604.db2.gz CSCXVXPPMSYKCH-VIFPVBQESA-N 0 0 389.886 3.437 10 5 GGBERN CSc1cccc(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)c1[N+](=O)[O-] ZINC000368730792 566244794 /nfs/dbraw/zinc/24/47/94/566244794.db2.gz AGPUTFSAMWJKMD-UHFFFAOYSA-N 0 0 376.423 3.119 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(Cc2cccnc2)C2CC2)c1 ZINC000183428161 566246557 /nfs/dbraw/zinc/24/65/57/566246557.db2.gz NNTAPAHYYJVXLV-UHFFFAOYSA-N 0 0 381.841 3.305 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(Cc2ccncc2)C2CC2)c1 ZINC000183432105 566247085 /nfs/dbraw/zinc/24/70/85/566247085.db2.gz JXGQJMFCXMLIQU-UHFFFAOYSA-N 0 0 381.841 3.305 10 5 GGBERN Cc1ncc(CN(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)s1 ZINC000183515020 566248688 /nfs/dbraw/zinc/24/86/88/566248688.db2.gz TZEZYRDOJOHMGA-UHFFFAOYSA-N 0 0 375.859 3.142 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1ccc(Cl)c(C)c1 ZINC000462115908 566250410 /nfs/dbraw/zinc/25/04/10/566250410.db2.gz JSAXKFSIHFXLFS-UHFFFAOYSA-N 0 0 384.841 3.086 10 5 GGBERN Cc1c(NC(=O)NCc2ccccc2CO)cc(Br)cc1[N+](=O)[O-] ZINC000575118010 566252309 /nfs/dbraw/zinc/25/23/09/566252309.db2.gz BHRHDGVYACWCPN-UHFFFAOYSA-N 0 0 394.225 3.480 10 5 GGBERN Cc1cnc(N2CCN(Cc3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000481814616 566253952 /nfs/dbraw/zinc/25/39/52/566253952.db2.gz JMIJYKIWACWMBP-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000599375610 566258371 /nfs/dbraw/zinc/25/83/71/566258371.db2.gz OMXHFVPJXDOOKS-IXDOHACOSA-N 0 0 378.837 3.006 10 5 GGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000599377120 566258518 /nfs/dbraw/zinc/25/85/18/566258518.db2.gz ZQXCUXHLOBAPOL-USXIJHARSA-N 0 0 378.837 3.006 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000599451000 566266438 /nfs/dbraw/zinc/26/64/38/566266438.db2.gz QTHDKUJDOHTFGF-CYBMUJFWSA-N 0 0 382.825 3.223 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1csc(C(F)(F)F)c1 ZINC000599502100 566270522 /nfs/dbraw/zinc/27/05/22/566270522.db2.gz RYXBZOTWOGSNDT-UHFFFAOYSA-N 0 0 394.396 3.337 10 5 GGBERN O=C(Nc1ccc2c(c1)OCC(=O)N2)c1sc(Br)cc1[N+](=O)[O-] ZINC000445189340 566271124 /nfs/dbraw/zinc/27/11/24/566271124.db2.gz JLAJSIYYYJYEGY-UHFFFAOYSA-N 0 0 398.194 3.002 10 5 GGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cc(Cl)c(Cl)cn1 ZINC000445155059 566271315 /nfs/dbraw/zinc/27/13/15/566271315.db2.gz FAVPLGRUJILUQG-UHFFFAOYSA-N 0 0 381.179 3.495 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000599508925 566272533 /nfs/dbraw/zinc/27/25/33/566272533.db2.gz BOHDRDDXRYVAEG-GFCCVEGCSA-N 0 0 382.825 3.132 10 5 GGBERN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000535041504 566274297 /nfs/dbraw/zinc/27/42/97/566274297.db2.gz WFLJDJWWJVIHLY-JTQLQIEISA-N 0 0 376.210 3.339 10 5 GGBERN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000535041517 566275056 /nfs/dbraw/zinc/27/50/56/566275056.db2.gz WFLJDJWWJVIHLY-SNVBAGLBSA-N 0 0 376.210 3.339 10 5 GGBERN CN([C@H]1CCCC[C@H]1C(F)(F)F)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000462294509 566277109 /nfs/dbraw/zinc/27/71/09/566277109.db2.gz VZJAXDCXMBHNOO-KGLIPLIRSA-N 0 0 380.388 3.478 10 5 GGBERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599634640 566280341 /nfs/dbraw/zinc/28/03/41/566280341.db2.gz FKPPPFZBDPBVKZ-JTQLQIEISA-N 0 0 399.241 3.161 10 5 GGBERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000462325951 566282514 /nfs/dbraw/zinc/28/25/14/566282514.db2.gz IHTXXBCMEMMDQM-CABCVRRESA-N 0 0 388.873 3.183 10 5 GGBERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000462325953 566283639 /nfs/dbraw/zinc/28/36/39/566283639.db2.gz IHTXXBCMEMMDQM-HUUCEWRRSA-N 0 0 388.873 3.183 10 5 GGBERN CC(C)(c1noc(Cn2ccc([N+](=O)[O-])n2)n1)c1ccc(Br)cc1 ZINC000445388233 566286102 /nfs/dbraw/zinc/28/61/02/566286102.db2.gz BCIOFVXWOVQFHI-UHFFFAOYSA-N 0 0 392.213 3.311 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(=O)Nc2ccc(Br)cc21 ZINC000535206237 566286666 /nfs/dbraw/zinc/28/66/66/566286666.db2.gz LYWAAUVYGDSOTA-UHFFFAOYSA-N 0 0 390.193 3.265 10 5 GGBERN COc1cc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)cc(Br)c1O ZINC000445402718 566287621 /nfs/dbraw/zinc/28/76/21/566287621.db2.gz LACZHRZWIZVKFQ-UHFFFAOYSA-N 0 0 395.169 3.127 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000482184455 566290610 /nfs/dbraw/zinc/29/06/10/566290610.db2.gz SXIOZEPLORYQCC-ZDUSSCGKSA-N 0 0 397.204 3.111 10 5 GGBERN Cc1c(Br)c(NC2CCN(C(=O)C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000575836756 566290942 /nfs/dbraw/zinc/29/09/42/566290942.db2.gz YZPUVQHERSJTIO-UHFFFAOYSA-N 0 0 385.262 3.120 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000599743216 566291545 /nfs/dbraw/zinc/29/15/45/566291545.db2.gz BTFXLTKRKPTKTR-QMMMGPOBSA-N 0 0 379.157 3.201 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC1(C)CCC1 ZINC000509363086 566294416 /nfs/dbraw/zinc/29/44/16/566294416.db2.gz CBFMDIDXNYLYKC-UHFFFAOYSA-N 0 0 388.205 3.428 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CO[C@H](C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599784973 566295333 /nfs/dbraw/zinc/29/53/33/566295333.db2.gz HMFOJGPGTZMWQO-RISCZKNCSA-N 0 0 384.230 3.355 10 5 GGBERN C[C@@H](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)c1ccc(Br)cc1 ZINC000445571929 566298376 /nfs/dbraw/zinc/29/83/76/566298376.db2.gz BFJYIEATROVUNU-VIFPVBQESA-N 0 0 392.213 3.487 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccn(C2CCOCC2)n1 ZINC000599916949 566302953 /nfs/dbraw/zinc/30/29/53/566302953.db2.gz OBFRYCYFFCDGEY-UHFFFAOYSA-N 0 0 395.213 3.158 10 5 GGBERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000445740122 566308112 /nfs/dbraw/zinc/30/81/12/566308112.db2.gz DCWGUJYDLNPMNT-HLTSFMKQSA-N 0 0 383.253 3.088 10 5 GGBERN Cc1nnc([C@H]2CCCCN2c2ncc([N+](=O)[O-])c(C)c2Br)[nH]1 ZINC000509512084 566313006 /nfs/dbraw/zinc/31/30/06/566313006.db2.gz PQMOOFUJQANDIH-SNVBAGLBSA-N 0 0 381.234 3.219 10 5 GGBERN CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCCC2 ZINC000462504920 566314335 /nfs/dbraw/zinc/31/43/35/566314335.db2.gz SYUMNHDKKUSZDR-OLZOCXBDSA-N 0 0 388.511 3.405 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCO[C@@H](CC(F)(F)F)C1 ZINC000600115495 566315897 /nfs/dbraw/zinc/31/58/97/566315897.db2.gz RWULOFRFDQWXGG-QMMMGPOBSA-N 0 0 397.147 3.151 10 5 GGBERN O=[N+]([O-])c1ccc(N2CCN(Cc3ccsc3Br)CC2)cn1 ZINC000600109915 566316217 /nfs/dbraw/zinc/31/62/17/566316217.db2.gz RXNIXHDUARWPMA-UHFFFAOYSA-N 0 0 383.271 3.136 10 5 GGBERN O=C(NCC1(O)CCC(F)(F)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600110932 566316605 /nfs/dbraw/zinc/31/66/05/566316605.db2.gz IFIABMOISOLZLD-UHFFFAOYSA-N 0 0 393.184 3.028 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCn2ccc3cc(Cl)ccc32)s1 ZINC000509580821 566317730 /nfs/dbraw/zinc/31/77/30/566317730.db2.gz SOXNQAOZKYCTRA-UHFFFAOYSA-N 0 0 385.854 3.243 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)NCC/C=C\c1ccc(Br)cc1 ZINC000600178955 566321938 /nfs/dbraw/zinc/32/19/38/566321938.db2.gz SDNQMDKETXQPPU-IWQZZHSRSA-N 0 0 393.241 3.164 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1c(C(F)(F)F)cnn1C ZINC000600175278 566321958 /nfs/dbraw/zinc/32/19/58/566321958.db2.gz SXENCSRRXLFYPW-UHFFFAOYSA-N 0 0 376.722 3.239 10 5 GGBERN COc1ccc(CSCC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000600278418 566329524 /nfs/dbraw/zinc/32/95/24/566329524.db2.gz FYHCVZZXCLJWAV-KGLIPLIRSA-N 0 0 382.507 3.333 10 5 GGBERN COc1ccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)c(Br)c1 ZINC000420953274 566330492 /nfs/dbraw/zinc/33/04/92/566330492.db2.gz UXSMSIQRQJMQAR-UHFFFAOYSA-N 0 0 378.226 3.319 10 5 GGBERN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000600303268 566331206 /nfs/dbraw/zinc/33/12/06/566331206.db2.gz CZQADZLWRDQNMX-LBPRGKRZSA-N 0 0 395.213 3.066 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000482772913 566331237 /nfs/dbraw/zinc/33/12/37/566331237.db2.gz BCYSQEACHGJYIK-OLZOCXBDSA-N 0 0 382.507 3.443 10 5 GGBERN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600304037 566331575 /nfs/dbraw/zinc/33/15/75/566331575.db2.gz HPDJLVUKCJHTJW-NSHDSACASA-N 0 0 395.213 3.066 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000462611050 566333249 /nfs/dbraw/zinc/33/32/49/566333249.db2.gz GYGGGGDCMWJQGZ-LBPRGKRZSA-N 0 0 389.216 3.314 10 5 GGBERN COc1ncc(Br)cc1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000600348322 566334399 /nfs/dbraw/zinc/33/43/99/566334399.db2.gz XZMXZXHRDZGUOA-UHFFFAOYSA-N 0 0 394.225 3.308 10 5 GGBERN Cn1cc(Br)cc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576311223 566334744 /nfs/dbraw/zinc/33/47/44/566334744.db2.gz BCQJKBXVMXSSOA-UHFFFAOYSA-N 0 0 391.225 3.150 10 5 GGBERN CCC(F)(F)CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000600380390 566335141 /nfs/dbraw/zinc/33/51/41/566335141.db2.gz UQRLWTITKDEFQT-UHFFFAOYSA-N 0 0 398.147 3.283 10 5 GGBERN CC1(C)CCC[C@](CO)(NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600358088 566335514 /nfs/dbraw/zinc/33/55/14/566335514.db2.gz AGPLVEZUEARONP-INIZCTEOSA-N 0 0 385.258 3.418 10 5 GGBERN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000535890544 566335564 /nfs/dbraw/zinc/33/55/64/566335564.db2.gz AGOGENAUPRDYMR-SECBINFHSA-N 0 0 382.189 3.252 10 5 GGBERN O=C(N[C@@H]1CCCSc2ccc(Br)cc21)c1[nH]ncc1[N+](=O)[O-] ZINC000600368774 566336025 /nfs/dbraw/zinc/33/60/25/566336025.db2.gz JBEOZLZDPJWWKV-SNVBAGLBSA-N 0 0 397.254 3.437 10 5 GGBERN O=C(N[C@H]1CCCSc2ccc(Br)cc21)c1[nH]ncc1[N+](=O)[O-] ZINC000600368768 566336183 /nfs/dbraw/zinc/33/61/83/566336183.db2.gz JBEOZLZDPJWWKV-JTQLQIEISA-N 0 0 397.254 3.437 10 5 GGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600483634 566341697 /nfs/dbraw/zinc/34/16/97/566341697.db2.gz VTBQLEPFQNADAP-PJGQNWHFSA-N 0 0 382.507 3.223 10 5 GGBERN CC(C)c1nn(C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000482916399 566342747 /nfs/dbraw/zinc/34/27/47/566342747.db2.gz DMEIFBTYMBSAHE-UHFFFAOYSA-N 0 0 381.230 3.395 10 5 GGBERN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000600521103 566342936 /nfs/dbraw/zinc/34/29/36/566342936.db2.gz MXTCSWNVFITQQU-SFYZADRCSA-N 0 0 384.152 3.492 10 5 GGBERN O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000600529703 566344193 /nfs/dbraw/zinc/34/41/93/566344193.db2.gz XZRRMSIACHIMMN-MNOVXSKESA-N 0 0 379.356 3.306 10 5 GGBERN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1cccc(Cl)c1 ZINC000462709535 566346000 /nfs/dbraw/zinc/34/60/00/566346000.db2.gz UUVNYGDBILVKHZ-VIFPVBQESA-N 0 0 376.843 3.056 10 5 GGBERN Cc1c(NC(=O)N2C[C@H](C)C[C@@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000421115503 566346962 /nfs/dbraw/zinc/34/69/62/566346962.db2.gz HOOZUKPXFARKFQ-MWLCHTKSSA-N 0 0 386.246 3.148 10 5 GGBERN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000600590291 566348708 /nfs/dbraw/zinc/34/87/08/566348708.db2.gz ICMMLXNCNGZQAV-MWLCHTKSSA-N 0 0 379.214 3.099 10 5 GGBERN Cc1n[nH]c(C(=O)N2C[C@H](c3ccc(Br)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000600595923 566348711 /nfs/dbraw/zinc/34/87/11/566348711.db2.gz RQTMKVVDJPDOQK-BXKDBHETSA-N 0 0 393.241 3.407 10 5 GGBERN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000600593285 566348843 /nfs/dbraw/zinc/34/88/43/566348843.db2.gz VVIOKHKPFURQPA-CMPLNLGQSA-N 0 0 393.241 3.109 10 5 GGBERN Cc1n[nH]c(C(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000600595929 566348901 /nfs/dbraw/zinc/34/89/01/566348901.db2.gz RQTMKVVDJPDOQK-JOYOIKCWSA-N 0 0 393.241 3.407 10 5 GGBERN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000600590292 566349009 /nfs/dbraw/zinc/34/90/09/566349009.db2.gz ICMMLXNCNGZQAV-ONGXEEELSA-N 0 0 379.214 3.099 10 5 GGBERN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600589093 566349302 /nfs/dbraw/zinc/34/93/02/566349302.db2.gz FNZZXOZRFOKWLE-MWLCHTKSSA-N 0 0 379.214 3.099 10 5 GGBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCc2ccc(Cl)s2)C1=O ZINC000600686917 566359031 /nfs/dbraw/zinc/35/90/31/566359031.db2.gz JGXGSPGDCWVALI-MRXNPFEDSA-N 0 0 379.825 3.319 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccccc2Br)C1 ZINC000600757640 566364272 /nfs/dbraw/zinc/36/42/72/566364272.db2.gz LTBJWITZIGNPPO-UHFFFAOYSA-N 0 0 390.237 3.375 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC(Cc2cccs2)C1 ZINC000600762102 566364413 /nfs/dbraw/zinc/36/44/13/566364413.db2.gz VMPVHRHUUKQQIK-UHFFFAOYSA-N 0 0 378.475 3.055 10 5 GGBERN Cc1cc(I)cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000557134552 566366100 /nfs/dbraw/zinc/36/61/00/566366100.db2.gz DBWHNAZZJDVFQJ-UHFFFAOYSA-N 0 0 383.145 3.155 10 5 GGBERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000557155835 566368386 /nfs/dbraw/zinc/36/83/86/566368386.db2.gz DQFGUSIHFVELQL-SECBINFHSA-N 0 0 386.246 3.237 10 5 GGBERN Cc1cccn2cc(CC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)nc12 ZINC000557157526 566368452 /nfs/dbraw/zinc/36/84/52/566368452.db2.gz PYGSQKUMEROCCV-UHFFFAOYSA-N 0 0 389.209 3.495 10 5 GGBERN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000557157073 566368698 /nfs/dbraw/zinc/36/86/98/566368698.db2.gz KNWVMQBTPBXIOA-ZJUUUORDSA-N 0 0 385.214 3.275 10 5 GGBERN C[S@](=O)c1ccc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000557156761 566369018 /nfs/dbraw/zinc/36/90/18/566369018.db2.gz GOOFHEYTAGBMAI-QHCPKHFHSA-N 0 0 397.250 3.276 10 5 GGBERN Cc1c(NC(=O)NC[C@H]2CCOC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483332248 566372213 /nfs/dbraw/zinc/37/22/13/566372213.db2.gz IZRSVQVJGNAKII-GXSJLCMTSA-N 0 0 386.246 3.460 10 5 GGBERN CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000462989050 566373811 /nfs/dbraw/zinc/37/38/11/566373811.db2.gz JCZGNBFRCVIEJD-LLVKDONJSA-N 0 0 378.372 3.343 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000510441340 566382925 /nfs/dbraw/zinc/38/29/25/566382925.db2.gz GIROICQDQHRLRP-RISCZKNCSA-N 0 0 383.242 3.307 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000421573267 566385267 /nfs/dbraw/zinc/38/52/67/566385267.db2.gz IBFMIZFUMYCSFE-SNVBAGLBSA-N 0 0 379.214 3.255 10 5 GGBERN O=[N+]([O-])c1cccc(-n2cc(-c3nc(-c4ncsc4Cl)no3)nn2)c1 ZINC000463169879 566389599 /nfs/dbraw/zinc/38/95/99/566389599.db2.gz KNYXPWFULIJFCE-UHFFFAOYSA-N 0 0 375.757 3.002 10 5 GGBERN CC(C)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000447163441 566392172 /nfs/dbraw/zinc/39/21/72/566392172.db2.gz RXTRZDDUJUILDH-SNVBAGLBSA-N 0 0 377.260 3.024 10 5 GGBERN CC(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000447175711 566392444 /nfs/dbraw/zinc/39/24/44/566392444.db2.gz KUTIZLVEYBCSPW-SNVBAGLBSA-N 0 0 377.260 3.024 10 5 GGBERN Cc1cc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)ncc1Br ZINC000601149170 566393392 /nfs/dbraw/zinc/39/33/92/566393392.db2.gz KDKYAUOINIGBNI-MRXNPFEDSA-N 0 0 380.242 3.058 10 5 GGBERN CCOC(=O)c1c(C)onc1COc1c(Br)cccc1[N+](=O)[O-] ZINC000557528671 566395048 /nfs/dbraw/zinc/39/50/48/566395048.db2.gz FIHSKKGDTCIEFH-UHFFFAOYSA-N 0 0 385.170 3.409 10 5 GGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000601190166 566395480 /nfs/dbraw/zinc/39/54/80/566395480.db2.gz RMMQAXJHRHUCPF-RNFRBKRXSA-N 0 0 376.257 3.259 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(C)(=O)=O)cc2C)c1 ZINC000510602438 566397443 /nfs/dbraw/zinc/39/74/43/566397443.db2.gz VZIMGLDIELQLSR-UHFFFAOYSA-N 0 0 380.447 3.281 10 5 GGBERN O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc([N+](=O)[O-])cn1 ZINC000536748412 566399481 /nfs/dbraw/zinc/39/94/81/566399481.db2.gz DSQFCUGXLHWPLO-UHFFFAOYSA-N 0 0 378.175 3.157 10 5 GGBERN COc1cc2c(cc1F)CC[C@H]2NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000510628040 566400531 /nfs/dbraw/zinc/40/05/31/566400531.db2.gz MIESAKYALGAHKB-GFCCVEGCSA-N 0 0 386.426 3.078 10 5 GGBERN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)C[C@H]2CCC2(F)F)cc1 ZINC000601383334 566402925 /nfs/dbraw/zinc/40/29/25/566402925.db2.gz PIWFRZODBNTFKN-DGCLKSJQSA-N 0 0 378.422 3.017 10 5 GGBERN Cc1cc(S(=O)(=O)N(CCc2nccs2)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000601377214 566403225 /nfs/dbraw/zinc/40/32/25/566403225.db2.gz AGZCXDIQFSTJSK-UHFFFAOYSA-N 0 0 387.458 3.141 10 5 GGBERN O=[N+]([O-])c1cc(CNS(=O)(=O)C[C@H]2CCC2(F)F)cc(C(F)(F)F)c1 ZINC000601405322 566404315 /nfs/dbraw/zinc/40/43/15/566404315.db2.gz UFEJBLRREAZEFU-SECBINFHSA-N 0 0 388.314 3.078 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC(c3ccc(C)nc3)CC2)c([N+](=O)[O-])s1 ZINC000601390192 566404550 /nfs/dbraw/zinc/40/45/50/566404550.db2.gz CKGMEPCDYRBFMJ-UHFFFAOYSA-N 0 0 381.479 3.236 10 5 GGBERN Cc1cnc(C2CCN(S(=O)(=O)c3cc(C)sc3[N+](=O)[O-])CC2)s1 ZINC000601403638 566405127 /nfs/dbraw/zinc/40/51/27/566405127.db2.gz MLWVOUYSJJCHOE-UHFFFAOYSA-N 0 0 387.508 3.298 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000601393247 566405292 /nfs/dbraw/zinc/40/52/92/566405292.db2.gz DNMORMKQBPCSKX-ZIAGYGMSSA-N 0 0 382.463 3.163 10 5 GGBERN Cc1ccnc([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000601460219 566408505 /nfs/dbraw/zinc/40/85/05/566408505.db2.gz QFDDWVIDXYHDEB-LBPRGKRZSA-N 0 0 381.841 3.130 10 5 GGBERN Cc1ccnc([C@H]2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)c1 ZINC000601460425 566408549 /nfs/dbraw/zinc/40/85/49/566408549.db2.gz UUOPHJUOJYLFKL-LBPRGKRZSA-N 0 0 381.841 3.130 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000601519339 566409347 /nfs/dbraw/zinc/40/93/47/566409347.db2.gz VGMIWQDXURSNNL-CYBMUJFWSA-N 0 0 381.841 3.212 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CCF)CC2)c(Br)c1 ZINC000601497884 566409571 /nfs/dbraw/zinc/40/95/71/566409571.db2.gz GDVCCEGDZDRAEA-UHFFFAOYSA-N 0 0 395.250 3.118 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000601519341 566409685 /nfs/dbraw/zinc/40/96/85/566409685.db2.gz VGMIWQDXURSNNL-ZDUSSCGKSA-N 0 0 381.841 3.212 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000601514605 566409788 /nfs/dbraw/zinc/40/97/88/566409788.db2.gz GYYQGFCSGMFSEP-ZDUSSCGKSA-N 0 0 381.841 3.212 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000601514602 566409841 /nfs/dbraw/zinc/40/98/41/566409841.db2.gz GYYQGFCSGMFSEP-CYBMUJFWSA-N 0 0 381.841 3.212 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Oc3ccccc3F)CC2)s1 ZINC000601496815 566409941 /nfs/dbraw/zinc/40/99/41/566409941.db2.gz XHTOKBFTUVSYGO-UHFFFAOYSA-N 0 0 386.426 3.028 10 5 GGBERN Cc1cc(Br)cc2c1CN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2 ZINC000537032576 566417778 /nfs/dbraw/zinc/41/77/78/566417778.db2.gz SWTMQEJTUZVVFN-UHFFFAOYSA-N 0 0 388.225 3.271 10 5 GGBERN C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccccc1[N+](=O)[O-] ZINC000537036485 566419653 /nfs/dbraw/zinc/41/96/53/566419653.db2.gz FFISRUNYQPWFET-RFAUZJTJSA-N 0 0 396.216 3.374 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000601704399 566420004 /nfs/dbraw/zinc/42/00/04/566420004.db2.gz OOCWHTUUWREZIM-VNQPRFMTSA-N 0 0 388.221 3.129 10 5 GGBERN COc1cc(Br)ccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447672419 566420711 /nfs/dbraw/zinc/42/07/11/566420711.db2.gz UCEBAEXDRBQJEX-UHFFFAOYSA-N 0 0 377.198 3.276 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1ccn(C2CCSCC2)[nH]1 ZINC000601719902 566421567 /nfs/dbraw/zinc/42/15/67/566421567.db2.gz VSGQZRBKJJQQFV-UHFFFAOYSA-N 0 0 380.857 3.495 10 5 GGBERN Cc1c(NC(=O)c2ccnc3c2ncn3C)cc(Br)cc1[N+](=O)[O-] ZINC000577311224 566422166 /nfs/dbraw/zinc/42/21/66/566422166.db2.gz GXDLAIQIAYKKJJ-UHFFFAOYSA-N 0 0 390.197 3.200 10 5 GGBERN C[C@@H](CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])[S@](C)=O ZINC000447688255 566422963 /nfs/dbraw/zinc/42/29/63/566422963.db2.gz LCPJSIINVUXHQZ-FZTITHCBSA-N 0 0 375.319 3.213 10 5 GGBERN CC(C)Oc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Br ZINC000601769112 566423763 /nfs/dbraw/zinc/42/37/63/566423763.db2.gz ABZYUXTUPHTNHL-UHFFFAOYSA-N 0 0 383.202 3.130 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000601821102 566426942 /nfs/dbraw/zinc/42/69/42/566426942.db2.gz MAQXNZRPUSQXJI-LBPRGKRZSA-N 0 0 393.184 3.162 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCC2([C@@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000537181632 566427762 /nfs/dbraw/zinc/42/77/62/566427762.db2.gz HBSULFNBWJSSOZ-NSHDSACASA-N 0 0 390.889 3.024 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCC2([C@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000537181631 566428149 /nfs/dbraw/zinc/42/81/49/566428149.db2.gz HBSULFNBWJSSOZ-LLVKDONJSA-N 0 0 390.889 3.024 10 5 GGBERN CSCCCN(c1cccnc1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601961008 566434415 /nfs/dbraw/zinc/43/44/15/566434415.db2.gz XLPVMAROBDVGIK-UHFFFAOYSA-N 0 0 387.508 3.308 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)s1 ZINC000447827556 566435972 /nfs/dbraw/zinc/43/59/72/566435972.db2.gz CENULJBNLSUAOB-UHFFFAOYSA-N 0 0 397.865 3.469 10 5 GGBERN CCc1n[nH]c(C(=O)NCc2c(C)cc(Br)cc2C)c1[N+](=O)[O-] ZINC000557982105 566439755 /nfs/dbraw/zinc/43/97/55/566439755.db2.gz LSTXADJLAKURCL-UHFFFAOYSA-N 0 0 381.230 3.190 10 5 GGBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccc(Br)c(F)c1 ZINC000484759515 566451240 /nfs/dbraw/zinc/45/12/40/566451240.db2.gz QHXMJAAEWUDCEB-UHFFFAOYSA-N 0 0 394.156 3.361 10 5 GGBERN Cn1cc(C2=CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)cn1 ZINC000602180473 566451415 /nfs/dbraw/zinc/45/14/15/566451415.db2.gz YGXOBLNMMFOAHE-UHFFFAOYSA-N 0 0 391.225 3.020 10 5 GGBERN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(Br)c(F)c1 ZINC000484742867 566452272 /nfs/dbraw/zinc/45/22/72/566452272.db2.gz RZNPSEYNZQUYRJ-UHFFFAOYSA-N 0 0 379.141 3.293 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2Br)n1 ZINC000484806499 566456231 /nfs/dbraw/zinc/45/62/31/566456231.db2.gz VXXPOCWJGZDASL-UHFFFAOYSA-N 0 0 393.119 3.362 10 5 GGBERN CN(Cc1ccccc1[N+](=O)[O-])c1cc(Br)cc(F)c1C(N)=O ZINC000537640788 566459805 /nfs/dbraw/zinc/45/98/05/566459805.db2.gz KHDTWUCIHKGGQG-UHFFFAOYSA-N 0 0 382.189 3.232 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000511561427 566471620 /nfs/dbraw/zinc/47/16/20/566471620.db2.gz IYDPOGOCNKRANU-QGZVFWFLSA-N 0 0 395.253 3.363 10 5 GGBERN CSc1cc(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccn1 ZINC000537868263 566477808 /nfs/dbraw/zinc/47/78/08/566477808.db2.gz NNNMBYQEDPNWQU-UHFFFAOYSA-N 0 0 387.870 3.152 10 5 GGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C(N)=O ZINC000464551063 566484929 /nfs/dbraw/zinc/48/49/29/566484929.db2.gz ASFZDSVAEIHHOR-SECBINFHSA-N 0 0 379.825 3.003 10 5 GGBERN COC(=O)CC1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000511730784 566485131 /nfs/dbraw/zinc/48/51/31/566485131.db2.gz RYUJAIYIKBYCHT-UHFFFAOYSA-N 0 0 386.857 3.332 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000538016844 566487893 /nfs/dbraw/zinc/48/78/93/566487893.db2.gz VJMCDRUFUDACRT-CABZTGNLSA-N 0 0 395.264 3.091 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000464634304 566493989 /nfs/dbraw/zinc/49/39/89/566493989.db2.gz ZOCDZFGLLNTZPU-SNVBAGLBSA-N 0 0 394.225 3.258 10 5 GGBERN C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000538138027 566495764 /nfs/dbraw/zinc/49/57/64/566495764.db2.gz MWUFLBXBGMQFSH-ZUZCIYMTSA-N 0 0 378.226 3.235 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCCCC1CC1 ZINC000558681717 566498346 /nfs/dbraw/zinc/49/83/46/566498346.db2.gz PLLWTMMAXKHGEO-UHFFFAOYSA-N 0 0 388.205 3.428 10 5 GGBERN O=C(NCc1cnn2ccccc12)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485457487 566498680 /nfs/dbraw/zinc/49/86/80/566498680.db2.gz LATFSEILDDOZIR-UHFFFAOYSA-N 0 0 390.197 3.327 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCOc1ccc(Br)cc1 ZINC000511997762 566504013 /nfs/dbraw/zinc/50/40/13/566504013.db2.gz CILXMMUNOQMETE-UHFFFAOYSA-N 0 0 379.210 3.475 10 5 GGBERN CSc1cccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000485505477 566506264 /nfs/dbraw/zinc/50/62/64/566506264.db2.gz WCQHMPUWOZEBCY-LBPRGKRZSA-N 0 0 382.507 3.491 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1N1CC[C@H](OC(F)F)C1 ZINC000558785719 566506519 /nfs/dbraw/zinc/50/65/19/566506519.db2.gz UARGHVJFHVJZSL-QMMMGPOBSA-N 0 0 384.120 3.017 10 5 GGBERN CC(C)[C@]1(C2CC2)NC(=O)N(Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000424099139 566510763 /nfs/dbraw/zinc/51/07/63/566510763.db2.gz IGMHZYCJWKGHAZ-MRXNPFEDSA-N 0 0 396.241 3.214 10 5 GGBERN C[C@@]12C(=O)N(Cc3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]1[C@@H]1CC[C@H]2C1 ZINC000424101246 566512484 /nfs/dbraw/zinc/51/24/84/566512484.db2.gz MQLDEZIULPFBRT-SZMHQZGZSA-N 0 0 393.237 3.279 10 5 GGBERN Cc1cc(OCc2ccc(S(=O)(=O)N(C)C)s2)c(Cl)cc1[N+](=O)[O-] ZINC000424101522 566512937 /nfs/dbraw/zinc/51/29/37/566512937.db2.gz NCUNFXOAYJEJEM-UHFFFAOYSA-N 0 0 390.870 3.447 10 5 GGBERN C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000512155890 566516834 /nfs/dbraw/zinc/51/68/34/566516834.db2.gz WPAXECUZXBELRE-SNVBAGLBSA-N 0 0 377.260 3.311 10 5 GGBERN CO[C@@H](CCNC(=O)c1sc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000485693326 566518758 /nfs/dbraw/zinc/51/87/58/566518758.db2.gz NDFDUSXNJPTIJI-LURJTMIESA-N 0 0 391.165 3.116 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000538650611 566524409 /nfs/dbraw/zinc/52/44/09/566524409.db2.gz TZOPYGONHJLXCT-UHFFFAOYSA-N 0 0 380.198 3.100 10 5 GGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)c1cccs1 ZINC000603448045 566527114 /nfs/dbraw/zinc/52/71/14/566527114.db2.gz ZZHRBNVFKZTBQI-VIFPVBQESA-N 0 0 375.435 3.417 10 5 GGBERN O=C(CCc1ccc(Br)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000538681663 566528123 /nfs/dbraw/zinc/52/81/23/566528123.db2.gz NSXKOXXIAYUXRK-UHFFFAOYSA-N 0 0 390.237 3.270 10 5 GGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000559141446 566528426 /nfs/dbraw/zinc/52/84/26/566528426.db2.gz UUWFCUHEBQLXAS-NSHDSACASA-N 0 0 395.384 3.196 10 5 GGBERN O=[N+]([O-])c1cc(CNc2cccc(S(=O)(=O)N3CCCCC3)c2)cs1 ZINC000512400153 566530841 /nfs/dbraw/zinc/53/08/41/566530841.db2.gz OXAZYSHQXSBDGY-UHFFFAOYSA-N 0 0 381.479 3.443 10 5 GGBERN COC[C@](C)(NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000485916595 566538492 /nfs/dbraw/zinc/53/84/92/566538492.db2.gz SPLGFZYUOAANMQ-VIFPVBQESA-N 0 0 391.165 3.116 10 5 GGBERN COC(=O)c1cc(NC(=O)c2coc(Br)c2)c(C)c([N+](=O)[O-])c1 ZINC000485939976 566541191 /nfs/dbraw/zinc/54/11/91/566541191.db2.gz YXXZJDBYXWPODB-UHFFFAOYSA-N 0 0 383.154 3.298 10 5 GGBERN C[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000485937871 566541660 /nfs/dbraw/zinc/54/16/60/566541660.db2.gz DOXYMCIGIRPOJT-JTQLQIEISA-N 0 0 377.260 3.311 10 5 GGBERN Cc1ccsc1[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000538891476 566545153 /nfs/dbraw/zinc/54/51/53/566545153.db2.gz VRPBVGKCCJNIKO-LBPRGKRZSA-N 0 0 385.239 3.191 10 5 GGBERN Cn1c(=O)ccc2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])cc21 ZINC000486018177 566549865 /nfs/dbraw/zinc/54/98/65/566549865.db2.gz LWLSAKOABPXMCR-UHFFFAOYSA-N 0 0 375.182 3.348 10 5 GGBERN CCOC(=O)c1nnc(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)s1 ZINC000486024920 566550041 /nfs/dbraw/zinc/55/00/41/566550041.db2.gz ATEROKIORZLHOT-UHFFFAOYSA-N 0 0 377.350 3.376 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCOc2ccc(Cl)cc2)s1 ZINC000512778389 566555155 /nfs/dbraw/zinc/55/51/55/566555155.db2.gz GNYLDNPYOQHHAF-UHFFFAOYSA-N 0 0 390.870 3.447 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)c1ccccc1 ZINC000559546284 566556250 /nfs/dbraw/zinc/55/62/50/566556250.db2.gz BUDCKVCMRUYMML-ZDUSSCGKSA-N 0 0 393.237 3.172 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC(=O)c2cccn21 ZINC000579149154 566584714 /nfs/dbraw/zinc/58/47/14/566584714.db2.gz PQIOIUNLTNOPFH-CYBMUJFWSA-N 0 0 378.182 3.315 10 5 GGBERN COc1cc2c(cc1F)CN(c1ncc(Br)cc1[N+](=O)[O-])CC2 ZINC000539611911 566591512 /nfs/dbraw/zinc/59/15/12/566591512.db2.gz JIRZMFMQYIMPEK-UHFFFAOYSA-N 0 0 382.189 3.463 10 5 GGBERN COC(=O)c1cnc([C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000424973320 566592401 /nfs/dbraw/zinc/59/24/01/566592401.db2.gz DKJCUBPLBDFUQA-MRVPVSSYSA-N 0 0 383.813 3.291 10 5 GGBERN CS(=O)(=O)c1cccnc1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000486482805 566593019 /nfs/dbraw/zinc/59/30/19/566593019.db2.gz AUKKDOXFZOQUSJ-UHFFFAOYSA-N 0 0 375.328 3.024 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCc3cc(Br)ccc32)n1 ZINC000579237345 566593409 /nfs/dbraw/zinc/59/34/09/566593409.db2.gz GUKSVKUWTBVOED-NSHDSACASA-N 0 0 390.197 3.219 10 5 GGBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1nc2cc(Br)ccc2[nH]1 ZINC000579293812 566596925 /nfs/dbraw/zinc/59/69/25/566596925.db2.gz XDBIXQKKQRNUAE-UHFFFAOYSA-N 0 0 383.589 3.097 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]1C(F)(F)F ZINC000579294166 566596963 /nfs/dbraw/zinc/59/69/63/566596963.db2.gz HEQLVCGYHCAFAJ-MRVPVSSYSA-N 0 0 379.143 3.227 10 5 GGBERN COC(=O)c1cccc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000560132156 566600885 /nfs/dbraw/zinc/60/08/85/566600885.db2.gz RXNZOHNTBCRQBC-UHFFFAOYSA-N 0 0 393.193 3.325 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cnc(OCC2CC2)cn1 ZINC000560125105 566601236 /nfs/dbraw/zinc/60/12/36/566601236.db2.gz AHNIBINIQBUCNI-UHFFFAOYSA-N 0 0 393.197 3.188 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000560126668 566601541 /nfs/dbraw/zinc/60/15/41/566601541.db2.gz SLLQHZHPKDYLGP-UHFFFAOYSA-N 0 0 379.166 3.381 10 5 GGBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ncc(Br)cn1 ZINC000486605163 566603814 /nfs/dbraw/zinc/60/38/14/566603814.db2.gz MNDHCERTZHOXFH-QMMMGPOBSA-N 0 0 399.632 3.221 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)NC1CCC2(CC2)CC1 ZINC000560185812 566606742 /nfs/dbraw/zinc/60/67/42/566606742.db2.gz ZCUVPTRPJHJGEA-UHFFFAOYSA-N 0 0 396.241 3.135 10 5 GGBERN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000539840607 566607391 /nfs/dbraw/zinc/60/73/91/566607391.db2.gz HECMICIXWNKKPP-FTGAXOIBSA-N 0 0 382.463 3.425 10 5 GGBERN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ncc(Br)cn1 ZINC000486681878 566612564 /nfs/dbraw/zinc/61/25/64/566612564.db2.gz GHGHBEMMSBPANP-IUCAKERBSA-N 0 0 397.204 3.267 10 5 GGBERN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000486700418 566614046 /nfs/dbraw/zinc/61/40/46/566614046.db2.gz SMUHLZAAGCVJBE-ZETCQYMHSA-N 0 0 385.605 3.292 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1nccn1CC(C)C ZINC000579500852 566614714 /nfs/dbraw/zinc/61/47/14/566614714.db2.gz CGIPKJIHGFIZOR-UHFFFAOYSA-N 0 0 395.257 3.448 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CCCC(F)(F)C1 ZINC000486707272 566614927 /nfs/dbraw/zinc/61/49/27/566614927.db2.gz WRCROYYOCBHKKD-VIFPVBQESA-N 0 0 399.213 3.214 10 5 GGBERN C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000486712543 566615598 /nfs/dbraw/zinc/61/55/98/566615598.db2.gz URACKGOBVQALRC-SECBINFHSA-N 0 0 397.254 3.117 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]cc(CCNS(=O)(=O)c3cccc(Cl)c3)c2c1 ZINC000579517930 566615658 /nfs/dbraw/zinc/61/56/58/566615658.db2.gz ABXFFFJPZDPUEH-UHFFFAOYSA-N 0 0 379.825 3.251 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000467042383 566619836 /nfs/dbraw/zinc/61/98/36/566619836.db2.gz CFACTQWYNFLWHR-CZUORRHYSA-N 0 0 382.463 3.021 10 5 GGBERN Cc1ccsc1[C@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000539986326 566620113 /nfs/dbraw/zinc/62/01/13/566620113.db2.gz VPKVXKKNMONJND-ZDUSSCGKSA-N 0 0 399.266 3.120 10 5 GGBERN C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1cccc(Br)c1 ZINC000486824803 566626050 /nfs/dbraw/zinc/62/60/50/566626050.db2.gz MLEZCEGWRKPAIT-NSHDSACASA-N 0 0 390.237 3.441 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOCc1ccc(Cl)cc1 ZINC000513847275 566629233 /nfs/dbraw/zinc/62/92/33/566629233.db2.gz HRTSQOLIVJEAAM-UHFFFAOYSA-N 0 0 384.841 3.052 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCOCc1ccc(Cl)cc1 ZINC000513847491 566629452 /nfs/dbraw/zinc/62/94/52/566629452.db2.gz LZRBEQREFBAOKJ-UHFFFAOYSA-N 0 0 384.841 3.052 10 5 GGBERN COC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000486853717 566630207 /nfs/dbraw/zinc/63/02/07/566630207.db2.gz ISGGOHQVQLWMDN-LBPRGKRZSA-N 0 0 390.870 3.318 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)n1 ZINC000540130724 566630724 /nfs/dbraw/zinc/63/07/24/566630724.db2.gz JOAQDTRQCNMGOR-UHFFFAOYSA-N 0 0 395.149 3.167 10 5 GGBERN CC(C)c1[nH]nc(C(=O)Nc2cnc3c(Br)cccn23)c1[N+](=O)[O-] ZINC000560558901 566637349 /nfs/dbraw/zinc/63/73/49/566637349.db2.gz SYSRWHOYAGGYMI-UHFFFAOYSA-N 0 0 393.201 3.104 10 5 GGBERN O=C([C@@H]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000425403917 566640373 /nfs/dbraw/zinc/64/03/73/566640373.db2.gz KRTQAZIYLXZSDH-CQSZACIVSA-N 0 0 396.285 3.192 10 5 GGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425414356 566641514 /nfs/dbraw/zinc/64/15/14/566641514.db2.gz CRYOVGBGKFDKOG-FVQBIDKESA-N 0 0 385.258 3.126 10 5 GGBERN O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514151935 566644516 /nfs/dbraw/zinc/64/45/16/566644516.db2.gz PSYFJPDPVXYWHB-UHFFFAOYSA-N 0 0 384.242 3.319 10 5 GGBERN Cc1sc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000467418797 566644970 /nfs/dbraw/zinc/64/49/70/566644970.db2.gz OVVVOFLOFKCONA-UHFFFAOYSA-N 0 0 396.368 3.342 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000467407538 566645547 /nfs/dbraw/zinc/64/55/47/566645547.db2.gz TZCGFEUVPWKASG-UHFFFAOYSA-N 0 0 377.447 3.193 10 5 GGBERN CC[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000425467421 566646724 /nfs/dbraw/zinc/64/67/24/566646724.db2.gz BQFQLJMXLDYULE-GOEBONIOSA-N 0 0 385.258 3.127 10 5 GGBERN C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000540337623 566647408 /nfs/dbraw/zinc/64/74/08/566647408.db2.gz JQBUTSXISILDTM-BONVTDFDSA-N 0 0 378.226 3.235 10 5 GGBERN C[C@@H](NC(=O)c1cc(Br)cnc1N(C)C)c1ccccc1[N+](=O)[O-] ZINC000540451453 566651831 /nfs/dbraw/zinc/65/18/31/566651831.db2.gz KVRJFYIYXRNWEW-SNVBAGLBSA-N 0 0 393.241 3.309 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCC2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000540463336 566652147 /nfs/dbraw/zinc/65/21/47/566652147.db2.gz VUMSGIVKELNVEY-UHFFFAOYSA-N 0 0 390.889 3.168 10 5 GGBERN C[C@@]12CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]1C2(F)F ZINC000560934014 566667273 /nfs/dbraw/zinc/66/72/73/566667273.db2.gz TXZNMCOLBZABLU-GXTWGEPZSA-N 0 0 389.196 3.404 10 5 GGBERN CS(=O)(=O)c1cc(C(=O)Nc2csc3ccccc23)cc([N+](=O)[O-])c1 ZINC000487370107 566667268 /nfs/dbraw/zinc/66/72/68/566667268.db2.gz JFNZYUIYTIXZQX-UHFFFAOYSA-N 0 0 376.415 3.465 10 5 GGBERN CC(C)n1ncc2c1C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])CC2 ZINC000580143994 566668156 /nfs/dbraw/zinc/66/81/56/566668156.db2.gz IPIWMBHGGUTOFT-LBPRGKRZSA-N 0 0 380.246 3.499 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000540739772 566669847 /nfs/dbraw/zinc/66/98/47/566669847.db2.gz OFVSEPJJQCCEJY-STQMWFEESA-N 0 0 390.889 3.429 10 5 GGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000540810322 566673951 /nfs/dbraw/zinc/67/39/51/566673951.db2.gz NZOYHRWVCDVZPC-UHFFFAOYSA-N 0 0 380.191 3.398 10 5 GGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CCO[C@]4(CCSC4)C3)cs2)c1 ZINC000514863967 566675039 /nfs/dbraw/zinc/67/50/39/566675039.db2.gz NXSBMDMNTBNMOG-QGZVFWFLSA-N 0 0 377.491 3.426 10 5 GGBERN COC(=O)c1cc(C)nc(N(C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000561105547 566677011 /nfs/dbraw/zinc/67/70/11/566677011.db2.gz MZWHQBSQESHFPR-UHFFFAOYSA-N 0 0 394.225 3.484 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(NCC(=O)Nc2ccc(Br)cc2)n1 ZINC000541005861 566687814 /nfs/dbraw/zinc/68/78/14/566687814.db2.gz CDFFXGKZJNYBGA-UHFFFAOYSA-N 0 0 379.214 3.420 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2ccc(Br)cc21 ZINC000468209872 566690139 /nfs/dbraw/zinc/69/01/39/566690139.db2.gz JZWQXJQUFUYHRO-UHFFFAOYSA-N 0 0 378.182 3.100 10 5 GGBERN Cc1ccc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(Br)c1 ZINC000450632477 566690734 /nfs/dbraw/zinc/69/07/34/566690734.db2.gz OXUNVOZEJJMCIE-UHFFFAOYSA-N 0 0 390.237 3.188 10 5 GGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(F)(F)F)CC1 ZINC000561304801 566693768 /nfs/dbraw/zinc/69/37/68/566693768.db2.gz RVIISHDLCODIJK-UHFFFAOYSA-N 0 0 378.372 3.406 10 5 GGBERN Cc1cc(N[C@H](CO)C[C@@H](O)C(C)(C)C)c(Br)cc1[N+](=O)[O-] ZINC000561322949 566695814 /nfs/dbraw/zinc/69/58/14/566695814.db2.gz DDOLINLYAVXGAS-IINYFYTJSA-N 0 0 375.263 3.236 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC(c3nc4ccccc4s3)C2)s1 ZINC000541192627 566702745 /nfs/dbraw/zinc/70/27/45/566702745.db2.gz WENTXTQUIGETCX-UHFFFAOYSA-N 0 0 395.487 3.273 10 5 GGBERN Cc1ccsc1[C@H](CO)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488014994 566704847 /nfs/dbraw/zinc/70/48/47/566704847.db2.gz POKXYPQTTYULDC-ZDUSSCGKSA-N 0 0 383.857 3.193 10 5 GGBERN O=c1c(Br)cc(Br)cn1Cc1csc([N+](=O)[O-])c1 ZINC000541288809 566711057 /nfs/dbraw/zinc/71/10/57/566711057.db2.gz NQPNRECTWJWDLL-UHFFFAOYSA-N 0 0 394.044 3.391 10 5 GGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000450850135 566711980 /nfs/dbraw/zinc/71/19/80/566711980.db2.gz UTWGNXZWENPVGL-SNVBAGLBSA-N 0 0 384.205 3.155 10 5 GGBERN C[C@@H]1CN(CC(F)(F)F)CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000450867006 566713966 /nfs/dbraw/zinc/71/39/66/566713966.db2.gz GPXAZMJNDAKXMF-SECBINFHSA-N 0 0 397.195 3.073 10 5 GGBERN Cc1cc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(Br)cc1[N+](=O)[O-] ZINC000450880656 566715166 /nfs/dbraw/zinc/71/51/66/566715166.db2.gz LJUYNAHLQDRLPK-QPUJVOFHSA-N 0 0 383.164 3.415 10 5 GGBERN Cc1cc(N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Br)cc1[N+](=O)[O-] ZINC000450880655 566715778 /nfs/dbraw/zinc/71/57/78/566715778.db2.gz LJUYNAHLQDRLPK-PRHODGIISA-N 0 0 383.164 3.415 10 5 GGBERN Cc1c(Br)cccc1C[C@H](CO)CNc1ccc([N+](=O)[O-])nc1 ZINC000450890614 566717639 /nfs/dbraw/zinc/71/76/39/566717639.db2.gz VYPJIYWTYJBRRV-LBPRGKRZSA-N 0 0 380.242 3.324 10 5 GGBERN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000515506615 566717837 /nfs/dbraw/zinc/71/78/37/566717837.db2.gz YZVJHBLGXJKSDT-CMPLNLGQSA-N 0 0 388.232 3.131 10 5 GGBERN COc1cccc2c1n[nH]c2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000488349520 566721817 /nfs/dbraw/zinc/72/18/17/566721817.db2.gz DZLUUNCJKAAFES-UHFFFAOYSA-N 0 0 391.181 3.495 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426748736 566727017 /nfs/dbraw/zinc/72/70/17/566727017.db2.gz ZRNJLLCMHXUCAT-INIZCTEOSA-N 0 0 393.237 3.451 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cc2c(s1)CCCC2 ZINC000515762665 566731973 /nfs/dbraw/zinc/73/19/73/566731973.db2.gz KFQSKAUVVJXDJV-UHFFFAOYSA-N 0 0 382.463 3.022 10 5 GGBERN CN(C)S(=O)(=O)c1cc(Cl)ccc1OCCc1ccc([N+](=O)[O-])cc1 ZINC000561716347 566732470 /nfs/dbraw/zinc/73/24/70/566732470.db2.gz NYAGGMCSVAZOGJ-UHFFFAOYSA-N 0 0 384.841 3.120 10 5 GGBERN Cc1c(Br)c(NCc2ccn(C3CCCC3)n2)ncc1[N+](=O)[O-] ZINC000541578926 566734855 /nfs/dbraw/zinc/73/48/55/566734855.db2.gz ROZDMZDHMMKYAQ-UHFFFAOYSA-N 0 0 380.246 3.406 10 5 GGBERN O=C(NCc1nccc(C(F)F)n1)c1sc(Br)cc1[N+](=O)[O-] ZINC000561758267 566735796 /nfs/dbraw/zinc/73/57/96/566735796.db2.gz ALVIWASLCRAXTD-UHFFFAOYSA-N 0 0 393.169 3.076 10 5 GGBERN Cc1cc(Nc2ncc([N+](=O)[O-])c(C)c2Br)ccc1OCCO ZINC000541579414 566736138 /nfs/dbraw/zinc/73/61/38/566736138.db2.gz UHENMOYCJDIXPX-UHFFFAOYSA-N 0 0 382.214 3.484 10 5 GGBERN CC(C)c1[nH]nc(-c2nc([C@@H](C)n3cc(Br)cn3)no2)c1[N+](=O)[O-] ZINC000580951775 566737753 /nfs/dbraw/zinc/73/77/53/566737753.db2.gz MQHMNJWEZXZLSA-SSDOTTSWSA-N 0 0 396.205 3.060 10 5 GGBERN CC(C)c1[nH]nc(-c2nc([C@H](C)n3cc(Br)cn3)no2)c1[N+](=O)[O-] ZINC000580951776 566737900 /nfs/dbraw/zinc/73/79/00/566737900.db2.gz MQHMNJWEZXZLSA-ZETCQYMHSA-N 0 0 396.205 3.060 10 5 GGBERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488662005 566740204 /nfs/dbraw/zinc/74/02/04/566740204.db2.gz TYNSIJAONXARDR-UHFFFAOYSA-N 0 0 385.211 3.362 10 5 GGBERN O=[N+]([O-])c1cnccc1NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000608974538 566744487 /nfs/dbraw/zinc/74/44/87/566744487.db2.gz HSUZKIXITYJJDI-GFCCVEGCSA-N 0 0 377.242 3.113 10 5 GGBERN C[C@@H]1COCC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000561891251 566746250 /nfs/dbraw/zinc/74/62/50/566746250.db2.gz CCAUYTFIHZPXEU-SKDRFNHKSA-N 0 0 382.214 3.471 10 5 GGBERN C[C@@H]1CCn2ncc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)c2C1 ZINC000581072831 566747524 /nfs/dbraw/zinc/74/75/24/566747524.db2.gz CLBSGKVVLASEHU-SECBINFHSA-N 0 0 379.214 3.388 10 5 GGBERN C[C@H]1CCn2ncc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)c2C1 ZINC000581072833 566747681 /nfs/dbraw/zinc/74/76/81/566747681.db2.gz CLBSGKVVLASEHU-VIFPVBQESA-N 0 0 379.214 3.388 10 5 GGBERN Nc1c(C(=O)NCc2cc(F)cc(Br)c2)cc(F)cc1[N+](=O)[O-] ZINC000516141435 566748899 /nfs/dbraw/zinc/74/88/99/566748899.db2.gz QNLRSZFLDIQHAW-UHFFFAOYSA-N 0 0 386.152 3.148 10 5 GGBERN COCCN(Cc1scnc1C)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000488815258 566749440 /nfs/dbraw/zinc/74/94/40/566749440.db2.gz ASZBJPYAMAYQCV-UHFFFAOYSA-N 0 0 381.479 3.370 10 5 GGBERN COCCN(Cc1scnc1C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000488821400 566751188 /nfs/dbraw/zinc/75/11/88/566751188.db2.gz JTTTUQQLRIEWKY-UHFFFAOYSA-N 0 0 381.479 3.370 10 5 GGBERN Cc1nc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nn1C ZINC000427269856 566762843 /nfs/dbraw/zinc/76/28/43/566762843.db2.gz NZWUTZSRLFQUHZ-UHFFFAOYSA-N 0 0 392.213 3.088 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000427282206 566762915 /nfs/dbraw/zinc/76/29/15/566762915.db2.gz SHSAYYMWRJYHKX-QWRGUYRKSA-N 0 0 389.271 3.168 10 5 GGBERN COc1cc(CN[C@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000541982381 566766259 /nfs/dbraw/zinc/76/62/59/566766259.db2.gz DVZFIAUKENMYNL-CQSZACIVSA-N 0 0 381.226 3.189 10 5 GGBERN COC(=O)c1ncccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427322403 566766402 /nfs/dbraw/zinc/76/64/02/566766402.db2.gz FRKWWBOHOGJRHK-UHFFFAOYSA-N 0 0 381.797 3.161 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)n1 ZINC000427366180 566769426 /nfs/dbraw/zinc/76/94/26/566769426.db2.gz MGPUHQMEJFAAHC-VIFPVBQESA-N 0 0 399.220 3.074 10 5 GGBERN O=[N+]([O-])c1cc(CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)cs1 ZINC000609564484 566771831 /nfs/dbraw/zinc/77/18/31/566771831.db2.gz YZQOJTWPCQPVMX-MRXNPFEDSA-N 0 0 381.885 3.161 10 5 GGBERN COc1cc(-c2noc(-c3cc([N+](=O)[O-])cn3C)n2)cc(Br)c1O ZINC000581408792 566774786 /nfs/dbraw/zinc/77/47/86/566774786.db2.gz JYKSBIRVVCYFMI-UHFFFAOYSA-N 0 0 395.169 3.127 10 5 GGBERN COc1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000469261668 566776292 /nfs/dbraw/zinc/77/62/92/566776292.db2.gz KNNWHWUKZDUJGE-UHFFFAOYSA-N 0 0 391.232 3.389 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])s1)N(CCO)Cc1cc(Br)cs1 ZINC000427538162 566776491 /nfs/dbraw/zinc/77/64/91/566776491.db2.gz WKPGWJKYQXLYNG-UHFFFAOYSA-N 0 0 391.268 3.115 10 5 GGBERN Cc1c(C(=O)N(CCO)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000427542721 566778024 /nfs/dbraw/zinc/77/80/24/566778024.db2.gz ZOSVECUBYSYHTC-UHFFFAOYSA-N 0 0 399.266 3.362 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccc2ccccc2n1 ZINC000609638631 566778650 /nfs/dbraw/zinc/77/86/50/566778650.db2.gz TXPXXKARMHCTQE-UHFFFAOYSA-N 0 0 377.809 3.275 10 5 GGBERN O=C(NCCc1csc(N2CCCC2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609637130 566779066 /nfs/dbraw/zinc/77/90/66/566779066.db2.gz CILFTHZJUJJYIZ-UHFFFAOYSA-N 0 0 380.857 3.277 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1)N(CCO)Cc1cc(Br)cs1 ZINC000427570143 566780228 /nfs/dbraw/zinc/78/02/28/566780228.db2.gz DTCXUMKQXWZFKI-UHFFFAOYSA-N 0 0 385.239 3.054 10 5 GGBERN O=[N+]([O-])c1ccc(CCCCNS(=O)(=O)C[C@@H]2CCCC2(F)F)cc1 ZINC000451235718 566780510 /nfs/dbraw/zinc/78/05/10/566780510.db2.gz QAVUSEFBFFILIZ-AWEZNQCLSA-N 0 0 376.425 3.272 10 5 GGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ncc(Br)cn1 ZINC000516796499 566784001 /nfs/dbraw/zinc/78/40/01/566784001.db2.gz IIRXOFYVDABPAG-SSDOTTSWSA-N 0 0 385.605 3.292 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000609783928 566785472 /nfs/dbraw/zinc/78/54/72/566785472.db2.gz MIBOOYITNKNNJF-LSDHHAIUSA-N 0 0 384.885 3.304 10 5 GGBERN Cn1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1-n1cccc1 ZINC000516918168 566792218 /nfs/dbraw/zinc/79/22/18/566792218.db2.gz GUOZYOVXFWELBD-UHFFFAOYSA-N 0 0 390.197 3.134 10 5 GGBERN CC[C@H](NC(=O)c1cc[nH]c(=O)c1Br)c1cccc([N+](=O)[O-])c1 ZINC000469528482 566796937 /nfs/dbraw/zinc/79/69/37/566796937.db2.gz DWSOSVHLMWZOCB-LBPRGKRZSA-N 0 0 380.198 3.339 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000610005898 566798968 /nfs/dbraw/zinc/79/89/68/566798968.db2.gz LTCSJAMIPMABFV-UHFFFAOYSA-N 0 0 384.841 3.470 10 5 GGBERN COc1ccc(S(=O)(=O)N2CCc3sc(Cl)cc3C2)cc1[N+](=O)[O-] ZINC000581723608 566802732 /nfs/dbraw/zinc/80/27/32/566802732.db2.gz MAFMDVKDBSKDLM-UHFFFAOYSA-N 0 0 388.854 3.065 10 5 GGBERN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)C[C@H]2CCCC2(F)F)cc1 ZINC000451360886 566803831 /nfs/dbraw/zinc/80/38/31/566803831.db2.gz NJAGXXZUDUZEEZ-TZMCWYRMSA-N 0 0 392.449 3.407 10 5 GGBERN CSc1nc(=O)[nH]c(C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000517191228 566809491 /nfs/dbraw/zinc/80/94/91/566809491.db2.gz ATFJGOFNVVWEKP-UHFFFAOYSA-N 0 0 399.226 3.136 10 5 GGBERN O=C(c1cc[nH]c(=O)c1Br)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000469736314 566810953 /nfs/dbraw/zinc/81/09/53/566810953.db2.gz WCRAJKMJDKVXCP-UHFFFAOYSA-N 0 0 392.209 3.263 10 5 GGBERN COc1cc(Br)ccc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000489935550 566817692 /nfs/dbraw/zinc/81/76/92/566817692.db2.gz KVDPSMDQTQMNBC-UHFFFAOYSA-N 0 0 389.209 3.343 10 5 GGBERN O=[N+]([O-])c1cnccc1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000610281474 566821262 /nfs/dbraw/zinc/82/12/62/566821262.db2.gz VYGHOCVFLJFBED-UHFFFAOYSA-N 0 0 388.225 3.357 10 5 GGBERN CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2csc(C)n2)cc1[N+](=O)[O-] ZINC000582000786 566821677 /nfs/dbraw/zinc/82/16/77/566821677.db2.gz DXMJNZZFVRXMCJ-OAHLLOKOSA-N 0 0 381.479 3.448 10 5 GGBERN COc1ccc(F)cc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000490039805 566827887 /nfs/dbraw/zinc/82/78/87/566827887.db2.gz JYOGZPIZNAJQQV-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN CO[C@H](CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000469936362 566829278 /nfs/dbraw/zinc/82/92/78/566829278.db2.gz AAOLBYOWYSUIFW-QPUJVOFHSA-N 0 0 384.738 3.099 10 5 GGBERN COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](OC)C(F)(F)F)cc1SC ZINC000469958151 566831041 /nfs/dbraw/zinc/83/10/41/566831041.db2.gz SFLQDBWPTDVBLP-GFCCVEGCSA-N 0 0 382.360 3.023 10 5 GGBERN O=C(Nc1cc(I)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC000610485588 566834394 /nfs/dbraw/zinc/83/43/94/566834394.db2.gz OJONLTGKGSAQMO-UHFFFAOYSA-N 0 0 384.129 3.157 10 5 GGBERN CN(C(=O)Cc1c(F)ccc(Br)c1F)c1ccc([N+](=O)[O-])nc1 ZINC000582145767 566835800 /nfs/dbraw/zinc/83/58/00/566835800.db2.gz UGVYMDGYTIAAMQ-UHFFFAOYSA-N 0 0 386.152 3.236 10 5 GGBERN O=C(Nc1cc(I)ccc1O)c1ccc([N+](=O)[O-])s1 ZINC000610490747 566836278 /nfs/dbraw/zinc/83/62/78/566836278.db2.gz XCDNPDCCVDDPLB-UHFFFAOYSA-N 0 0 390.158 3.219 10 5 GGBERN C[C@@]1(F)CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000517687070 566839750 /nfs/dbraw/zinc/83/97/50/566839750.db2.gz ISOOJPJCNVISPG-CYBMUJFWSA-N 0 0 392.168 3.164 10 5 GGBERN CC(F)(F)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451611454 566850703 /nfs/dbraw/zinc/85/07/03/566850703.db2.gz WULVVKIHAZQQIM-UHFFFAOYSA-N 0 0 387.202 3.071 10 5 GGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000451645740 566856009 /nfs/dbraw/zinc/85/60/09/566856009.db2.gz GBXQUNPDJMJBEQ-UHFFFAOYSA-N 0 0 384.816 3.275 10 5 GGBERN CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610715790 566856066 /nfs/dbraw/zinc/85/60/66/566856066.db2.gz JRYRWUPOKXHXNR-CQSZACIVSA-N 0 0 376.862 3.122 10 5 GGBERN O=[N+]([O-])c1cnccc1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000610771007 566860895 /nfs/dbraw/zinc/86/08/95/566860895.db2.gz YHYAMTSPKKRZCN-UHFFFAOYSA-N 0 0 391.269 3.251 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2c(F)cc(Br)cc2C1 ZINC000610771897 566862528 /nfs/dbraw/zinc/86/25/28/566862528.db2.gz RITMMQQIQFRTOH-UHFFFAOYSA-N 0 0 380.173 3.090 10 5 GGBERN COCC(C)(C)CCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000563306735 566874846 /nfs/dbraw/zinc/87/48/46/566874846.db2.gz QDCLSIVPBVAZNP-UHFFFAOYSA-N 0 0 378.878 3.288 10 5 GGBERN O=C(CSc1nc(C2CC2)cc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000470460816 566876127 /nfs/dbraw/zinc/87/61/27/566876127.db2.gz ZSQZLYPKHQCSFA-UHFFFAOYSA-N 0 0 380.813 3.352 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000518350132 566879158 /nfs/dbraw/zinc/87/91/58/566879158.db2.gz CUGAYQWGCICUKH-HSZRJFAPSA-N 0 0 388.854 3.095 10 5 GGBERN Cn1ncc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1C(F)F ZINC000611159845 566895371 /nfs/dbraw/zinc/89/53/71/566895371.db2.gz XAAVNJYGUAPCAH-UHFFFAOYSA-N 0 0 389.156 3.210 10 5 GGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000543675556 566900862 /nfs/dbraw/zinc/90/08/62/566900862.db2.gz ZDPPTNGAHHQNMK-JSGCOSHPSA-N 0 0 385.258 3.226 10 5 GGBERN COc1c(F)cc(S(=O)(=O)N2CCc3sccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000491285155 566902935 /nfs/dbraw/zinc/90/29/35/566902935.db2.gz SHMPRDOKNXHNNC-SECBINFHSA-N 0 0 386.426 3.112 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000451901955 566904492 /nfs/dbraw/zinc/90/44/92/566904492.db2.gz HEMWVPGGBCLUGT-AWEZNQCLSA-N 0 0 376.887 3.073 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000451901956 566904501 /nfs/dbraw/zinc/90/45/01/566904501.db2.gz HEMWVPGGBCLUGT-CQSZACIVSA-N 0 0 376.887 3.073 10 5 GGBERN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000470826263 566907933 /nfs/dbraw/zinc/90/79/33/566907933.db2.gz ISFUSLSWIXUVIH-SECBINFHSA-N 0 0 394.225 3.439 10 5 GGBERN Cc1nn(C)c(C)c1[C@H]1COCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000611306309 566909477 /nfs/dbraw/zinc/90/94/77/566909477.db2.gz HNRLQKKCPLREHL-OAHLLOKOSA-N 0 0 395.257 3.286 10 5 GGBERN CC[C@H](NCc1ccc(S(=O)(=O)N(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000611335497 566910471 /nfs/dbraw/zinc/91/04/71/566910471.db2.gz NHLRRXULIHMBPW-HNNXBMFYSA-N 0 0 383.495 3.148 10 5 GGBERN COc1cc(S(=O)(=O)N2CC(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000451929851 566911170 /nfs/dbraw/zinc/91/11/70/566911170.db2.gz ONBJJSFHJJKSOK-UHFFFAOYSA-N 0 0 382.825 3.045 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)s1 ZINC000451991627 566920016 /nfs/dbraw/zinc/92/00/16/566920016.db2.gz RZGPHEBLDISRRN-UHFFFAOYSA-N 0 0 392.380 3.463 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CC[C@H](C)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000611496863 566922030 /nfs/dbraw/zinc/92/20/30/566922030.db2.gz BAGQQJVFNSXFJZ-UFBFGSQYSA-N 0 0 395.250 3.034 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000611496860 566922134 /nfs/dbraw/zinc/92/21/34/566922134.db2.gz BAGQQJVFNSXFJZ-PELKAZGASA-N 0 0 395.250 3.034 10 5 GGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C[C@H]1F ZINC000611506551 566924022 /nfs/dbraw/zinc/92/40/22/566924022.db2.gz OLCIQYMRLOWKBA-GZMMTYOYSA-N 0 0 392.168 3.020 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000452053349 566927939 /nfs/dbraw/zinc/92/79/39/566927939.db2.gz OZAQUYWSOXAPLM-OAHLLOKOSA-N 0 0 390.914 3.464 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](OC(F)F)C1 ZINC000611573447 566929051 /nfs/dbraw/zinc/92/90/51/566929051.db2.gz MJJFVGNVPSSJJO-NSHDSACASA-N 0 0 393.184 3.130 10 5 GGBERN COC[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000452082870 566931772 /nfs/dbraw/zinc/93/17/72/566931772.db2.gz KTTFQEUKVMQXIG-JTQLQIEISA-N 0 0 397.280 3.339 10 5 GGBERN O=[N+]([O-])c1cc(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cs1 ZINC000611622402 566931937 /nfs/dbraw/zinc/93/19/37/566931937.db2.gz HBSOTVCRUYMLBB-HNNXBMFYSA-N 0 0 381.479 3.063 10 5 GGBERN O=[N+]([O-])c1cc(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cs1 ZINC000611622403 566932280 /nfs/dbraw/zinc/93/22/80/566932280.db2.gz HBSOTVCRUYMLBB-OAHLLOKOSA-N 0 0 381.479 3.063 10 5 GGBERN Cc1c(Br)c(Nc2cccc([C@H]3CNC(=O)C3)c2)ncc1[N+](=O)[O-] ZINC000583289526 566937993 /nfs/dbraw/zinc/93/79/93/566937993.db2.gz FCUUOHZTOADJJO-LLVKDONJSA-N 0 0 391.225 3.408 10 5 GGBERN COc1cccc([C@H]2C[C@@H](C)CN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000544102726 566939540 /nfs/dbraw/zinc/93/95/40/566939540.db2.gz MNVCBLSLHYGZEH-BXUZGUMPSA-N 0 0 382.463 3.437 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000611803306 566939708 /nfs/dbraw/zinc/93/97/08/566939708.db2.gz VARDUDJDHSPDSB-CYBMUJFWSA-N 0 0 390.237 3.457 10 5 GGBERN COc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1CO ZINC000544269439 566949839 /nfs/dbraw/zinc/94/98/39/566949839.db2.gz NRSHWQHCMHMSBB-UHFFFAOYSA-N 0 0 382.825 3.480 10 5 GGBERN Cc1c(NCc2nnnn2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000429793521 566950746 /nfs/dbraw/zinc/95/07/46/566950746.db2.gz MOJNDRUNXHMGEM-UHFFFAOYSA-N 0 0 389.213 3.254 10 5 GGBERN Cc1c(Br)c(NCc2cnn(-c3ccccc3)c2)ncc1[N+](=O)[O-] ZINC000544409740 566961767 /nfs/dbraw/zinc/96/17/67/566961767.db2.gz JRLFKJUWAURZLO-UHFFFAOYSA-N 0 0 388.225 3.280 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000544417565 566962781 /nfs/dbraw/zinc/96/27/81/566962781.db2.gz WECVUCGITWSQJN-UHFFFAOYSA-N 0 0 394.225 3.029 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000544412629 566963058 /nfs/dbraw/zinc/96/30/58/566963058.db2.gz NBFPAPGSDSTCBY-UHFFFAOYSA-N 0 0 380.198 3.100 10 5 GGBERN CNc1nccc(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c1[N+](=O)[O-] ZINC000519786888 566968952 /nfs/dbraw/zinc/96/89/52/566968952.db2.gz YSCAGRJNLNDSCZ-GFCCVEGCSA-N 0 0 381.219 3.178 10 5 GGBERN CNc1nccc(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c1[N+](=O)[O-] ZINC000519786927 566968975 /nfs/dbraw/zinc/96/89/75/566968975.db2.gz YSCAGRJNLNDSCZ-LBPRGKRZSA-N 0 0 381.219 3.178 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3c(OC(F)F)cccc32)s1 ZINC000583644164 566969253 /nfs/dbraw/zinc/96/92/53/566969253.db2.gz RUBLZGXXTPVVMR-UHFFFAOYSA-N 0 0 390.389 3.399 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000430009375 566976476 /nfs/dbraw/zinc/97/64/76/566976476.db2.gz BHHAEDVFWCKZSP-QWHCGFSZSA-N 0 0 397.250 3.192 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000544714644 566985331 /nfs/dbraw/zinc/98/53/31/566985331.db2.gz LMEHVCVZFRJTSR-JTQLQIEISA-N 0 0 389.216 3.314 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]1C1CC1 ZINC000452492052 566986948 /nfs/dbraw/zinc/98/69/48/566986948.db2.gz WPJVCCDNCFXQNI-ZDUSSCGKSA-N 0 0 386.189 3.132 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(C)CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000494309542 566986913 /nfs/dbraw/zinc/98/69/13/566986913.db2.gz JBIHTSZNDMYPFC-UHFFFAOYSA-N 0 0 390.889 3.262 10 5 GGBERN Cc1noc([C@H](C)N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000583820641 566987277 /nfs/dbraw/zinc/98/72/77/566987277.db2.gz LGQKEAZDKXWMPT-ZETCQYMHSA-N 0 0 384.190 3.274 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]1C1CC1 ZINC000452492051 566987485 /nfs/dbraw/zinc/98/74/85/566987485.db2.gz WPJVCCDNCFXQNI-CYBMUJFWSA-N 0 0 386.189 3.132 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[nH]nc1-c1ccncc1 ZINC000520263023 566993753 /nfs/dbraw/zinc/99/37/53/566993753.db2.gz DJTYXUWDNHXZEC-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1n[nH]c(=O)c2ccccc21 ZINC000583939103 566996100 /nfs/dbraw/zinc/99/61/00/566996100.db2.gz YJKOGNXBMRHWPE-UHFFFAOYSA-N 0 0 389.165 3.258 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000544842536 567001412 /nfs/dbraw/zinc/00/14/12/567001412.db2.gz FDTNNMSYBGXMNY-GFCCVEGCSA-N 0 0 389.216 3.314 10 5 GGBERN O=C(c1cccc(Br)c1F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000430276678 567004006 /nfs/dbraw/zinc/00/40/06/567004006.db2.gz CNDRWFDARRVZAS-UHFFFAOYSA-N 0 0 380.173 3.090 10 5 GGBERN CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CCC1 ZINC000430350757 567011479 /nfs/dbraw/zinc/01/14/79/567011479.db2.gz ALOWEWFLICUUST-UHFFFAOYSA-N 0 0 384.230 3.005 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nn(C)cc1Br ZINC000452751092 567012741 /nfs/dbraw/zinc/01/27/41/567012741.db2.gz CLBWPXDARKYNAZ-UHFFFAOYSA-N 0 0 399.270 3.133 10 5 GGBERN O=[N+]([O-])c1ccc(Cc2noc(CCOCC3CC3)n2)c(Br)c1 ZINC000545003577 567013404 /nfs/dbraw/zinc/01/34/04/567013404.db2.gz LBIORJHUBRYFRE-UHFFFAOYSA-N 0 0 382.214 3.300 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cc(Cl)cc(Cl)c2)s1 ZINC000520626152 567016031 /nfs/dbraw/zinc/01/60/31/567016031.db2.gz UIBQGZBUSOSMGE-UHFFFAOYSA-N 0 0 381.262 3.484 10 5 GGBERN Cc1c(Br)cc(C(=O)NCC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000452789322 567016472 /nfs/dbraw/zinc/01/64/72/567016472.db2.gz AFDBRHQNVWFKJS-UHFFFAOYSA-N 0 0 389.221 3.162 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2sccc2c1 ZINC000584200400 567021146 /nfs/dbraw/zinc/02/11/46/567021146.db2.gz YHJLNEUYHDAWJQ-UHFFFAOYSA-N 0 0 378.431 3.297 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000452841048 567022640 /nfs/dbraw/zinc/02/26/40/567022640.db2.gz CNNNYZYAPQUTJL-LBPRGKRZSA-N 0 0 393.241 3.203 10 5 GGBERN Cc1cc(Br)cc2c(C(=O)NCCn3cc([N+](=O)[O-])cn3)coc21 ZINC000472368733 567023624 /nfs/dbraw/zinc/02/36/24/567023624.db2.gz LSYVXZUFZHOBPY-UHFFFAOYSA-N 0 0 393.197 3.038 10 5 GGBERN COC(=O)[C@H](CC(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000452928243 567033071 /nfs/dbraw/zinc/03/30/71/567033071.db2.gz SIEJFCFEBZSYLL-ZDUSSCGKSA-N 0 0 387.230 3.017 10 5 GGBERN Cn1ncc(Br)c1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000494950605 567036019 /nfs/dbraw/zinc/03/60/19/567036019.db2.gz AJIHSYRVVVROPI-UHFFFAOYSA-N 0 0 395.257 3.134 10 5 GGBERN Cc1cc(C)c(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000431158196 567060470 /nfs/dbraw/zinc/06/04/70/567060470.db2.gz AOIRUHKQUOMKCQ-UHFFFAOYSA-N 0 0 380.198 3.005 10 5 GGBERN Cc1c(NC(=O)[C@@H](C(C)C)N2CCCC2=O)cc(Br)cc1[N+](=O)[O-] ZINC000431173251 567061352 /nfs/dbraw/zinc/06/13/52/567061352.db2.gz PJBHGBOGFWJVIK-OAHLLOKOSA-N 0 0 398.257 3.251 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)OC)n1 ZINC000431164995 567062401 /nfs/dbraw/zinc/06/24/01/567062401.db2.gz BPTSOVRUTJREQR-UHFFFAOYSA-N 0 0 387.179 3.157 10 5 GGBERN Cc1c(NC(=O)CCOC[C@@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000431181066 567063145 /nfs/dbraw/zinc/06/31/45/567063145.db2.gz JGKVDIKPAXSZRX-LBPRGKRZSA-N 0 0 387.230 3.190 10 5 GGBERN Cc1c(NC(=O)c2ccnn2CC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000431180119 567063227 /nfs/dbraw/zinc/06/32/27/567063227.db2.gz GJRIFEWKPVPGEL-UHFFFAOYSA-N 0 0 389.156 3.380 10 5 GGBERN Cc1c(NC(=O)c2cccnc2N(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000431179331 567063239 /nfs/dbraw/zinc/06/32/39/567063239.db2.gz CUGADMMATZJUKL-UHFFFAOYSA-N 0 0 379.214 3.379 10 5 GGBERN Cc1c(NC(=O)CN2CCCCCCC2=O)cc(Br)cc1[N+](=O)[O-] ZINC000431180408 567063631 /nfs/dbraw/zinc/06/36/31/567063631.db2.gz HAWDWFVZDFOFAF-UHFFFAOYSA-N 0 0 398.257 3.397 10 5 GGBERN O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000521597699 567068361 /nfs/dbraw/zinc/06/83/61/567068361.db2.gz KIOOYDIADCOQGF-UHFFFAOYSA-N 0 0 394.225 3.121 10 5 GGBERN Cc1c(NC(=O)c2cnc3nccnc3c2)cc(Br)cc1[N+](=O)[O-] ZINC000431249284 567069011 /nfs/dbraw/zinc/06/90/11/567069011.db2.gz KMHFHHMSGYJEJL-UHFFFAOYSA-N 0 0 388.181 3.256 10 5 GGBERN CCOc1ccc(-c2nc(Cn3cc(Br)cn3)no2)cc1[N+](=O)[O-] ZINC000545743183 567072310 /nfs/dbraw/zinc/07/23/10/567072310.db2.gz QGBCQEQRCVVGHL-UHFFFAOYSA-N 0 0 394.185 3.051 10 5 GGBERN CCc1nc(CNC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000521672785 567074151 /nfs/dbraw/zinc/07/41/51/567074151.db2.gz RZHZOAVFLQAESE-UHFFFAOYSA-N 0 0 381.479 3.172 10 5 GGBERN COc1cc(Br)ccc1[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000584846653 567075516 /nfs/dbraw/zinc/07/55/16/567075516.db2.gz PXJBLOFGCVCVQN-QMMMGPOBSA-N 0 0 395.213 3.033 10 5 GGBERN Cc1cc(Br)ccc1Cc1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000545781303 567076161 /nfs/dbraw/zinc/07/61/61/567076161.db2.gz QHXGBMFLYKZBTE-UHFFFAOYSA-N 0 0 378.186 3.040 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NCCc1cc(-c2ccncc2)n[nH]1 ZINC000431425851 567080360 /nfs/dbraw/zinc/08/03/60/567080360.db2.gz DYHHKQFNORGNRC-UHFFFAOYSA-N 0 0 389.213 3.192 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1C(F)(F)F ZINC000585699814 567080860 /nfs/dbraw/zinc/08/08/60/567080860.db2.gz OTRXRPZEMPQXCW-NSHDSACASA-N 0 0 397.147 3.069 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1C(F)(F)F ZINC000585699811 567080867 /nfs/dbraw/zinc/08/08/67/567080867.db2.gz OTRXRPZEMPQXCW-LLVKDONJSA-N 0 0 397.147 3.069 10 5 GGBERN COC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(F)(F)F ZINC000585700039 567080955 /nfs/dbraw/zinc/08/09/55/567080955.db2.gz LWMBFGQVMUCOEN-GFCCVEGCSA-N 0 0 399.163 3.363 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N(C1CC1)C1CCCC1 ZINC000565611907 567082798 /nfs/dbraw/zinc/08/27/98/567082798.db2.gz GLCKRJKRHMKJDK-UHFFFAOYSA-N 0 0 396.241 3.229 10 5 GGBERN C[S@@](=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000585750520 567085994 /nfs/dbraw/zinc/08/59/94/567085994.db2.gz KAARNTXVMRQGCD-JOCHJYFZSA-N 0 0 383.223 3.347 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@]2(CCCOC2)C1 ZINC000473539706 567087593 /nfs/dbraw/zinc/08/75/93/567087593.db2.gz LDQAFZGUMZDCNZ-MRXNPFEDSA-N 0 0 383.242 3.390 10 5 GGBERN Cn1nc2c(c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CCCC2 ZINC000585810079 567091109 /nfs/dbraw/zinc/09/11/09/567091109.db2.gz HLDPXILUFLGEEM-UHFFFAOYSA-N 0 0 379.214 3.222 10 5 GGBERN COc1cccc(C[C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000497412638 567094719 /nfs/dbraw/zinc/09/47/19/567094719.db2.gz SILKQRNWRNZLRP-LLVKDONJSA-N 0 0 384.841 3.166 10 5 GGBERN COc1cccc(C[C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000497422815 567096826 /nfs/dbraw/zinc/09/68/26/567096826.db2.gz UECSWYRPCIDYJH-LLVKDONJSA-N 0 0 384.841 3.166 10 5 GGBERN Cc1c(Br)c(N[C@H]2CS(=O)(=O)c3ccccc32)ncc1[N+](=O)[O-] ZINC000546051055 567098396 /nfs/dbraw/zinc/09/83/96/567098396.db2.gz FTYWTTUXAUDRRN-JTQLQIEISA-N 0 0 398.238 3.001 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1Cc2cc(F)ccc2O1 ZINC000586836250 567101640 /nfs/dbraw/zinc/10/16/40/567101640.db2.gz ORZTYVHEZMZESJ-CQSZACIVSA-N 0 0 381.157 3.439 10 5 GGBERN C[C@@H](Cc1cccc(Br)c1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587520830 567104424 /nfs/dbraw/zinc/10/44/24/567104424.db2.gz LERYCOUTVOHCFJ-JTQLQIEISA-N 0 0 380.242 3.475 10 5 GGBERN Nc1cc(N[C@H]2C[C@H]2c2cccc(Br)c2)cc(CO)c1[N+](=O)[O-] ZINC000587797263 567105032 /nfs/dbraw/zinc/10/50/32/567105032.db2.gz USZWHXMTYIMTTP-ZFWWWQNUSA-N 0 0 378.226 3.400 10 5 GGBERN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000587433869 567105099 /nfs/dbraw/zinc/10/50/99/567105099.db2.gz DRCQXUDJMSAMND-CPCISQLKSA-N 0 0 397.147 3.149 10 5 GGBERN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1ccc(Br)cc1 ZINC000587987910 567106455 /nfs/dbraw/zinc/10/64/55/567106455.db2.gz VTFOBOGHNWHKFA-JTQLQIEISA-N 0 0 396.241 3.311 10 5 GGBERN Cc1cc(Br)c2c(c1)CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)CC2 ZINC000588022465 567108378 /nfs/dbraw/zinc/10/83/78/567108378.db2.gz MQNOCDFHYVHSTG-UHFFFAOYSA-N 0 0 392.253 3.303 10 5 GGBERN Nc1cc(N2CCc3c(Br)ccc(F)c3C2)cc(CO)c1[N+](=O)[O-] ZINC000588017109 567108400 /nfs/dbraw/zinc/10/84/00/567108400.db2.gz YIOXFBUPHQFZAK-UHFFFAOYSA-N 0 0 396.216 3.134 10 5 GGBERN Cc1cc(Br)ccc1CN(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588034161 567108996 /nfs/dbraw/zinc/10/89/96/567108996.db2.gz UKIFBGQTRKCMOA-UHFFFAOYSA-N 0 0 380.242 3.377 10 5 GGBERN Cc1nc([C@](C)(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C2CC2)no1 ZINC000497616027 567112099 /nfs/dbraw/zinc/11/20/99/567112099.db2.gz BMJHAGWRULZQMU-OAHLLOKOSA-N 0 0 395.213 3.104 10 5 GGBERN Cc1cc(N[C@@H](C)C2(S(C)(=O)=O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000588072550 567113108 /nfs/dbraw/zinc/11/31/08/567113108.db2.gz HTXQWJCSXDBFLW-VIFPVBQESA-N 0 0 377.260 3.043 10 5 GGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(Br)cc1O ZINC000431901304 567115870 /nfs/dbraw/zinc/11/58/70/567115870.db2.gz IEJINNNXJPTSIG-UHFFFAOYSA-N 0 0 379.210 3.264 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144504 567117255 /nfs/dbraw/zinc/11/72/55/567117255.db2.gz LPJWCIJLHSSBPB-LLVKDONJSA-N 0 0 399.213 3.132 10 5 GGBERN O=C(N[C@H]1CCCC1(F)F)c1cc(I)cc([N+](=O)[O-])c1 ZINC000588180066 567119122 /nfs/dbraw/zinc/11/91/22/567119122.db2.gz GDLUAAUFDGNTQE-JTQLQIEISA-N 0 0 396.131 3.117 10 5 GGBERN CNc1ccc(C(=O)NCc2ccc(Br)cc2OC)cc1[N+](=O)[O-] ZINC000614527177 567119388 /nfs/dbraw/zinc/11/93/88/567119388.db2.gz GJFOAKRQNYKGMA-UHFFFAOYSA-N 0 0 394.225 3.338 10 5 GGBERN O=[N+]([O-])c1ccc(NCc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000432054661 567127560 /nfs/dbraw/zinc/12/75/60/567127560.db2.gz MDQJSUYVMDAABJ-UHFFFAOYSA-N 0 0 393.241 3.201 10 5 GGBERN Cc1cc(N2CC[C@@H](Nc3ncccn3)C2)c(Br)cc1[N+](=O)[O-] ZINC000566160589 567131406 /nfs/dbraw/zinc/13/14/06/567131406.db2.gz NDIWLTNQPYOKRF-LLVKDONJSA-N 0 0 378.230 3.147 10 5 GGBERN O=C(CN1CCc2sc(Cl)cc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000566174524 567133938 /nfs/dbraw/zinc/13/39/38/567133938.db2.gz TWVIFCIIBGJYTM-UHFFFAOYSA-N 0 0 377.853 3.257 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000432178523 567135285 /nfs/dbraw/zinc/13/52/85/567135285.db2.gz UGVRXLZMCUBMET-LBPRGKRZSA-N 0 0 381.841 3.123 10 5 GGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(c2nc(C)cs2)CCC1 ZINC000474118694 567137196 /nfs/dbraw/zinc/13/71/96/567137196.db2.gz SWCNZMIXQAPSBK-UHFFFAOYSA-N 0 0 381.479 3.280 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCC2(C1)Oc1ccccc1O2 ZINC000588861682 567140391 /nfs/dbraw/zinc/14/03/91/567140391.db2.gz VLKVNLPECGEUGI-UHFFFAOYSA-N 0 0 378.182 3.130 10 5 GGBERN CCCCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000474201992 567146121 /nfs/dbraw/zinc/14/61/21/567146121.db2.gz YVEMLJZLMPASEW-RYUDHWBXSA-N 0 0 376.500 3.261 10 5 GGBERN CCCCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000474201993 567146266 /nfs/dbraw/zinc/14/62/66/567146266.db2.gz YVEMLJZLMPASEW-VXGBXAGGSA-N 0 0 376.500 3.261 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCc1cc(F)ccc1F ZINC000474212342 567148115 /nfs/dbraw/zinc/14/81/15/567148115.db2.gz NMVJUSIQOCJJSG-UHFFFAOYSA-N 0 0 376.768 3.047 10 5 GGBERN C[C@H]1CC2(CCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000432316488 567150071 /nfs/dbraw/zinc/15/00/71/567150071.db2.gz XEUMVXWTWZJDAW-JTQLQIEISA-N 0 0 389.271 3.311 10 5 GGBERN CCNc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000432416009 567160150 /nfs/dbraw/zinc/16/01/50/567160150.db2.gz YBWMZURVZCIYTR-SECBINFHSA-N 0 0 394.229 3.070 10 5 GGBERN CC(C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1 ZINC000474345903 567160544 /nfs/dbraw/zinc/16/05/44/567160544.db2.gz ICHBJOJGBFQUOH-UHFFFAOYSA-N 0 0 394.225 3.281 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000546881850 567168043 /nfs/dbraw/zinc/16/80/43/567168043.db2.gz MCPBNQXMAYFOBP-AWEZNQCLSA-N 0 0 380.809 3.163 10 5 GGBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000474399637 567168547 /nfs/dbraw/zinc/16/85/47/567168547.db2.gz ZTDGRPCTGWIHTL-GMTAPVOTSA-N 0 0 391.287 3.412 10 5 GGBERN C[C@@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000589258385 567170088 /nfs/dbraw/zinc/17/00/88/567170088.db2.gz JCRBLTWFRCCVBW-RNCFNFMXSA-N 0 0 378.185 3.379 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@H]2C(F)F)c1 ZINC000589258227 567170094 /nfs/dbraw/zinc/17/00/94/567170094.db2.gz WFQBKXZNAVFKCG-NSHDSACASA-N 0 0 382.148 3.429 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(Br)s1 ZINC000589530084 567181067 /nfs/dbraw/zinc/18/10/67/567181067.db2.gz BHRCIIXCJGXIAN-UHFFFAOYSA-N 0 0 395.238 3.268 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2cc(Br)cn2C)c1 ZINC000589505335 567181935 /nfs/dbraw/zinc/18/19/35/567181935.db2.gz GDRKOWHGPZULMU-UHFFFAOYSA-N 0 0 396.241 3.114 10 5 GGBERN Cn1cc(CSCc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000589578261 567185126 /nfs/dbraw/zinc/18/51/26/567185126.db2.gz OHWKCIDHOBDNLO-UHFFFAOYSA-N 0 0 389.218 3.366 10 5 GGBERN O=[N+]([O-])c1ccc(Cc2noc(/C=C\c3ccc(Br)o3)n2)nc1 ZINC000547195019 567189663 /nfs/dbraw/zinc/18/96/63/567189663.db2.gz OSHXTMCFJDNAFL-XQRVVYSFSA-N 0 0 377.154 3.490 10 5 GGBERN COc1cc(Br)ccc1-c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000547195051 567190149 /nfs/dbraw/zinc/19/01/49/567190149.db2.gz QNVYLQLUGOXCHC-UHFFFAOYSA-N 0 0 377.154 3.478 10 5 GGBERN Cc1c(Br)cc(-c2nc(Cc3cncn3C)no2)cc1[N+](=O)[O-] ZINC000547246342 567193375 /nfs/dbraw/zinc/19/33/75/567193375.db2.gz ZMRUCFRSZSYNPK-UHFFFAOYSA-N 0 0 378.186 3.040 10 5 GGBERN Cc1cc(Cc2noc(-c3cc(S(C)(=O)=O)cs3)n2)ccc1[N+](=O)[O-] ZINC000547267313 567194568 /nfs/dbraw/zinc/19/45/68/567194568.db2.gz YJSJOLSWYGTHOV-UHFFFAOYSA-N 0 0 379.419 3.009 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000589916562 567197231 /nfs/dbraw/zinc/19/72/31/567197231.db2.gz OIBODLXMRMXIJQ-OLZOCXBDSA-N 0 0 380.800 3.222 10 5 GGBERN Cc1[nH]nc(C(=O)N2CCc3cc(Br)c(Cl)cc32)c1[N+](=O)[O-] ZINC000615889047 567212747 /nfs/dbraw/zinc/21/27/47/567212747.db2.gz BQKIIHGMLNSESS-UHFFFAOYSA-N 0 0 385.605 3.245 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nccc2cc(Br)ccc21 ZINC000590384448 567222682 /nfs/dbraw/zinc/22/26/82/567222682.db2.gz UFLABURQZVFCTN-UHFFFAOYSA-N 0 0 387.193 3.283 10 5 GGBERN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cn1 ZINC000567181144 567224962 /nfs/dbraw/zinc/22/49/62/567224962.db2.gz FXNLWEMCZUBMHX-GFCCVEGCSA-N 0 0 378.182 3.006 10 5 GGBERN CN(C)c1cnn(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000590569120 567231770 /nfs/dbraw/zinc/23/17/70/567231770.db2.gz LUNIHWNLRDKNHI-UHFFFAOYSA-N 0 0 394.273 3.461 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)CCc2ccccc2)c1 ZINC000567362778 567239560 /nfs/dbraw/zinc/23/95/60/567239560.db2.gz BOCCJCUSLRBBQN-UHFFFAOYSA-N 0 0 385.239 3.342 10 5 GGBERN COc1c(C(=O)NCCc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000475386828 567245545 /nfs/dbraw/zinc/24/55/45/567245545.db2.gz CYBGQYBUIPGJSD-UHFFFAOYSA-N 0 0 379.210 3.338 10 5 GGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC(OC(F)F)CC2)cc1C ZINC000590764522 567246078 /nfs/dbraw/zinc/24/60/78/567246078.db2.gz IAFMKQAADDBTQF-UHFFFAOYSA-N 0 0 378.397 3.040 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCc2ccccc2Br)c1 ZINC000433470771 567252733 /nfs/dbraw/zinc/25/27/33/567252733.db2.gz ZVAOJUMFBYRJTI-UHFFFAOYSA-N 0 0 399.266 3.019 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@H](CO)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000455354200 567263384 /nfs/dbraw/zinc/26/33/84/567263384.db2.gz LHJNBVCGXWYDAP-LLVKDONJSA-N 0 0 386.246 3.292 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@H](CCCO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000455351918 567263438 /nfs/dbraw/zinc/26/34/38/567263438.db2.gz IUZAUHLLWVKOBR-LLVKDONJSA-N 0 0 386.246 3.292 10 5 GGBERN C[C@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2nccn21 ZINC000455397652 567271169 /nfs/dbraw/zinc/27/11/69/567271169.db2.gz GLHHAXQZMFDVOE-UFBFGSQYSA-N 0 0 380.202 3.381 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ncc(C(=O)OC)s1 ZINC000475912754 567287111 /nfs/dbraw/zinc/28/71/11/567287111.db2.gz UQQKTKOUCADGSE-UHFFFAOYSA-N 0 0 381.435 3.227 10 5 GGBERN CC(C)c1n[nH]c(C(=O)NCc2cc(F)cc(Br)c2)c1[N+](=O)[O-] ZINC000433990986 567288118 /nfs/dbraw/zinc/28/81/18/567288118.db2.gz SYUPSFXOPLJFNF-UHFFFAOYSA-N 0 0 385.193 3.273 10 5 GGBERN Cc1nccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1Br ZINC000526100191 567293463 /nfs/dbraw/zinc/29/34/63/567293463.db2.gz OPMXIMIRMCGHDL-QMMMGPOBSA-N 0 0 382.189 3.364 10 5 GGBERN CSc1cccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000434297135 567303215 /nfs/dbraw/zinc/30/32/15/567303215.db2.gz DQSWYPSHBWQUQG-NOZJJQNGSA-N 0 0 378.372 3.092 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCOC2(CCSCC2)C1 ZINC000434314659 567303961 /nfs/dbraw/zinc/30/39/61/567303961.db2.gz MPYAYSQGDOWHSH-ZDUSSCGKSA-N 0 0 384.885 3.352 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(Br)c(Cl)cc32)n1 ZINC000617386975 567304812 /nfs/dbraw/zinc/30/48/12/567304812.db2.gz KCRVKOYORKYBGD-UHFFFAOYSA-N 0 0 399.632 3.430 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Br)cc2F)n1 ZINC000568148837 567306975 /nfs/dbraw/zinc/30/69/75/567306975.db2.gz NZCZMOXNBWXGED-QMMMGPOBSA-N 0 0 385.193 3.204 10 5 GGBERN CCc1ccc(S(=O)(=O)NC2(c3nc(C)cs3)CCC2)cc1[N+](=O)[O-] ZINC000592038487 567310276 /nfs/dbraw/zinc/31/02/76/567310276.db2.gz AWJXARCVTHISRR-UHFFFAOYSA-N 0 0 381.479 3.280 10 5 GGBERN Cc1nccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1Br ZINC000527088665 567312964 /nfs/dbraw/zinc/31/29/64/567312964.db2.gz QMZBEWUCZQEAMP-VIFPVBQESA-N 0 0 379.214 3.365 10 5 GGBERN CC1(CC(F)F)CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000592074915 567312957 /nfs/dbraw/zinc/31/29/57/567312957.db2.gz RAAWZDIDNWTQGK-UHFFFAOYSA-N 0 0 399.213 3.023 10 5 GGBERN COc1ccccc1C1(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000592070118 567313256 /nfs/dbraw/zinc/31/32/56/567313256.db2.gz HMEPSMCELULSEP-UHFFFAOYSA-N 0 0 382.825 3.224 10 5 GGBERN CN(C)S(=O)(=O)c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1F ZINC000434649411 567318919 /nfs/dbraw/zinc/31/89/19/567318919.db2.gz YAJQECZXSMNHHF-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN CN(C)S(=O)(=O)c1cc(Cl)ccc1OCc1csc([N+](=O)[O-])c1 ZINC000434645663 567319119 /nfs/dbraw/zinc/31/91/19/567319119.db2.gz LSWFDVDFXZLPIU-UHFFFAOYSA-N 0 0 376.843 3.139 10 5 GGBERN COc1ccc(S(=O)(=O)N(C)Cc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000434765966 567325541 /nfs/dbraw/zinc/32/55/41/567325541.db2.gz RTWIYZWVVCHLQM-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN Cc1cc(Br)ccc1CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000434764099 567326575 /nfs/dbraw/zinc/32/65/75/567326575.db2.gz MPAKEAYZGSDMHW-UHFFFAOYSA-N 0 0 399.266 3.486 10 5 GGBERN COc1ccc(S(=O)(=O)N(C)Cc2cc(Cl)ccc2F)c([N+](=O)[O-])c1 ZINC000434779421 567329577 /nfs/dbraw/zinc/32/95/77/567329577.db2.gz ZPANYSYGAVVVBO-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000527308142 567329879 /nfs/dbraw/zinc/32/98/79/567329879.db2.gz NCBSEISXPYMKGW-SECBINFHSA-N 0 0 380.198 3.252 10 5 GGBERN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000527337791 567332145 /nfs/dbraw/zinc/33/21/45/567332145.db2.gz IPRMSVZGISWTRL-ZDUSSCGKSA-N 0 0 394.225 3.292 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(COC[C@H]2CCOC2)no1 ZINC000592418363 567337855 /nfs/dbraw/zinc/33/78/55/567337855.db2.gz KJKVBPZAVGXEOC-JTQLQIEISA-N 0 0 398.213 3.269 10 5 GGBERN CCn1cc([C@@H]2CSCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000617880213 567342193 /nfs/dbraw/zinc/34/21/93/567342193.db2.gz GGWGCCBHAILBCI-HNNXBMFYSA-N 0 0 380.857 3.395 10 5 GGBERN C[C@@H]1C(=O)N(C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000592528911 567343728 /nfs/dbraw/zinc/34/37/28/567343728.db2.gz KRZFGPLHUVRPQN-SNVBAGLBSA-N 0 0 394.225 3.237 10 5 GGBERN C[C@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)n1cc(Br)cn1 ZINC000592580707 567346690 /nfs/dbraw/zinc/34/66/90/567346690.db2.gz SXQJRHPAJHGEEA-GHMZBOCLSA-N 0 0 393.241 3.483 10 5 GGBERN C[C@@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)n1cc(Br)cn1 ZINC000592580711 567346920 /nfs/dbraw/zinc/34/69/20/567346920.db2.gz SXQJRHPAJHGEEA-WDEREUQCSA-N 0 0 393.241 3.483 10 5 GGBERN O=C(Cc1c(F)ccc(Br)c1F)NCc1ccc([N+](=O)[O-])cc1 ZINC000500848535 567349647 /nfs/dbraw/zinc/34/96/47/567349647.db2.gz DGSLBDYJNCAKBL-UHFFFAOYSA-N 0 0 385.164 3.494 10 5 GGBERN O=C(Cc1c(F)ccc(Br)c1F)NCc1cccc([N+](=O)[O-])c1 ZINC000548783194 567350975 /nfs/dbraw/zinc/35/09/75/567350975.db2.gz DPUFVCYFCWTMBS-UHFFFAOYSA-N 0 0 385.164 3.494 10 5 GGBERN Cc1c(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000592629060 567351290 /nfs/dbraw/zinc/35/12/90/567351290.db2.gz VLXNXALOALWVLQ-ZDUSSCGKSA-N 0 0 396.241 3.005 10 5 GGBERN Cc1c(NC(=O)[C@H]2CCc3ncncc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000592629034 567352001 /nfs/dbraw/zinc/35/20/01/567352001.db2.gz SWZLRXDGOJREQE-JTQLQIEISA-N 0 0 391.225 3.199 10 5 GGBERN CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1SC ZINC000592706582 567355711 /nfs/dbraw/zinc/35/57/11/567355711.db2.gz QJPBLYMJLHJKRC-UPJWGTAASA-N 0 0 378.372 3.252 10 5 GGBERN Cc1nccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000435327584 567355853 /nfs/dbraw/zinc/35/58/53/567355853.db2.gz HWJUXCHBDNVUOG-UHFFFAOYSA-N 0 0 380.202 3.086 10 5 GGBERN Cc1c(NC(=O)N(CCCCO)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435323738 567356210 /nfs/dbraw/zinc/35/62/10/567356210.db2.gz OWGOIISHMHSMRL-UHFFFAOYSA-N 0 0 386.246 3.435 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@H]2C(C)(C)O)cc(Br)cc1[N+](=O)[O-] ZINC000435331285 567356249 /nfs/dbraw/zinc/35/62/49/567356249.db2.gz ZWMBQOHCNNODSN-ZDUSSCGKSA-N 0 0 386.246 3.433 10 5 GGBERN CCOC(=O)C[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435330192 567356279 /nfs/dbraw/zinc/35/62/79/567356279.db2.gz SBRXGIYQGUOSEF-QMMMGPOBSA-N 0 0 388.218 3.129 10 5 GGBERN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000548864736 567356476 /nfs/dbraw/zinc/35/64/76/567356476.db2.gz QDICVYFSOMXRCT-UHFFFAOYSA-N 0 0 377.344 3.010 10 5 GGBERN Cc1c(NC(=O)NC[C@H]2CCCC[C@@H]2O)cc(Br)cc1[N+](=O)[O-] ZINC000435331261 567356665 /nfs/dbraw/zinc/35/66/65/567356665.db2.gz ZQQRJIKNSUQDLH-YGRLFVJLSA-N 0 0 386.246 3.338 10 5 GGBERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1I ZINC000592734931 567357982 /nfs/dbraw/zinc/35/79/82/567357982.db2.gz MBNZHXAHJFJYDE-LPEHRKFASA-N 0 0 386.189 3.118 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@]2(CNc3ccccc32)C1 ZINC000618166213 567360364 /nfs/dbraw/zinc/36/03/64/567360364.db2.gz DBNPCZWAEGKQFH-MRXNPFEDSA-N 0 0 375.226 3.326 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N(C[C@H]1CCOC1)C1CC1 ZINC000501082211 567363001 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O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000501098367 567364852 /nfs/dbraw/zinc/36/48/52/567364852.db2.gz HBKVYYUTSUCWNY-HUUCEWRRSA-N 0 0 392.209 3.137 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCCc2c[nH]nc21 ZINC000501114717 567366446 /nfs/dbraw/zinc/36/64/46/567366446.db2.gz XMZHCPDKOVSCQQ-LBPRGKRZSA-N 0 0 380.202 3.280 10 5 GGBERN CCn1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nc2cccnc21 ZINC000477105337 567371430 /nfs/dbraw/zinc/37/14/30/567371430.db2.gz BYLGMXKNDOTLNC-UHFFFAOYSA-N 0 0 390.197 3.374 10 5 GGBERN CC(C)c1nnc(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000501272405 567376322 /nfs/dbraw/zinc/37/63/22/567376322.db2.gz UOMFEZVOSDUZTE-UHFFFAOYSA-N 0 0 383.202 3.435 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(-n2cncn2)c1 ZINC000501287157 567377647 /nfs/dbraw/zinc/37/76/47/567377647.db2.gz WNURFFZVYKUJPK-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000501290390 567377804 /nfs/dbraw/zinc/37/78/04/567377804.db2.gz HNDYIHNRBNJYJD-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN CC(C)(C)n1cc(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000501282988 567378010 /nfs/dbraw/zinc/37/80/10/567378010.db2.gz HVZVKMLWFDLVNA-UHFFFAOYSA-N 0 0 395.213 3.130 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000501283863 567378127 /nfs/dbraw/zinc/37/81/27/567378127.db2.gz OYWIYBXFPPKXJX-ZDUSSCGKSA-N 0 0 396.172 3.063 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000501291799 567378190 /nfs/dbraw/zinc/37/81/90/567378190.db2.gz YKNUFNBVRHJING-HNNXBMFYSA-N 0 0 391.225 3.337 10 5 GGBERN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501293117 567379343 /nfs/dbraw/zinc/37/93/43/567379343.db2.gz YPXHUJKLDDGMFP-HZMBPMFUSA-N 0 0 387.230 3.270 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593115211 567387202 /nfs/dbraw/zinc/38/72/02/567387202.db2.gz AJLOHIDPAQMIIW-GFCCVEGCSA-N 0 0 394.159 3.431 10 5 GGBERN O=[N+]([O-])c1ccc(-c2noc(C3(S(=O)(=O)c4ccccc4)CC3)n2)s1 ZINC000618411153 567387796 /nfs/dbraw/zinc/38/77/96/567387796.db2.gz FHDIGKCNFYMCJS-UHFFFAOYSA-N 0 0 377.403 3.169 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)n1 ZINC000501422878 567388557 /nfs/dbraw/zinc/38/85/57/567388557.db2.gz YUUYTBQAZFYLHS-UHFFFAOYSA-N 0 0 377.813 3.035 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1c1ccncc1 ZINC000593151921 567391623 /nfs/dbraw/zinc/39/16/23/567391623.db2.gz VMTBVHGGAKNEPI-CABCVRRESA-N 0 0 392.209 3.469 10 5 GGBERN O=[N+]([O-])c1cccc(CSCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000593186338 567393912 /nfs/dbraw/zinc/39/39/12/567393912.db2.gz LEBWKQNEYAEEBB-UHFFFAOYSA-N 0 0 378.475 3.469 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1c[nH]cc(Br)c1=O ZINC000477429173 567394309 /nfs/dbraw/zinc/39/43/09/567394309.db2.gz BJUDISVMMVGUTA-UHFFFAOYSA-N 0 0 386.589 3.260 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000501578437 567397723 /nfs/dbraw/zinc/39/77/23/567397723.db2.gz NTXLBDSEGQBFST-OAHLLOKOSA-N 0 0 376.210 3.478 10 5 GGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000593278836 567402369 /nfs/dbraw/zinc/40/23/69/567402369.db2.gz BQUXEQKHOJUTTE-HNNXBMFYSA-N 0 0 383.242 3.292 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](C1CC1)C1CCOCC1 ZINC000593279397 567402505 /nfs/dbraw/zinc/40/25/05/567402505.db2.gz NAGIDGBGPPQVKM-QGZVFWFLSA-N 0 0 397.269 3.221 10 5 GGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593279363 567402527 /nfs/dbraw/zinc/40/25/27/567402527.db2.gz LFNTXWRTNXZLGG-HNNXBMFYSA-N 0 0 383.242 3.292 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000456695964 567403180 /nfs/dbraw/zinc/40/31/80/567403180.db2.gz NZUVSSKSLGHJDG-ZANVPECISA-N 0 0 378.372 3.092 10 5 GGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000593280029 567403234 /nfs/dbraw/zinc/40/32/34/567403234.db2.gz RJWIDAOXIJRGCO-LBPRGKRZSA-N 0 0 389.271 3.354 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000456705163 567404112 /nfs/dbraw/zinc/40/41/12/567404112.db2.gz ZAILPTGCBWGYBQ-MRXNPFEDSA-N 0 0 383.242 3.308 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000618686623 567408067 /nfs/dbraw/zinc/40/80/67/567408067.db2.gz GWJLICGLVMBYJT-UHFFFAOYSA-N 0 0 380.198 3.100 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(CC2(F)F)C1 ZINC000593360909 567408649 /nfs/dbraw/zinc/40/86/49/567408649.db2.gz WUVUUHUIVCLWQQ-CYBMUJFWSA-N 0 0 375.169 3.158 10 5 GGBERN CC1(C)Cc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)sc2C(=O)N1 ZINC000593350867 567408681 /nfs/dbraw/zinc/40/86/81/567408681.db2.gz QVTBSAIXIKCKRH-UHFFFAOYSA-N 0 0 380.813 3.022 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCC(=O)Nc2nc(C)cs2)c1 ZINC000593424805 567411447 /nfs/dbraw/zinc/41/14/47/567411447.db2.gz QWNMTOFAINLPMX-UHFFFAOYSA-N 0 0 381.435 3.018 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1OCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593418793 567412209 /nfs/dbraw/zinc/41/22/09/567412209.db2.gz KMMOKSVEZRNYPU-UHFFFAOYSA-N 0 0 382.825 3.268 10 5 GGBERN NC(=O)c1[nH]nc2ccc(Nc3ccc([N+](=O)[O-])cc3Br)cc21 ZINC000501978409 567414632 /nfs/dbraw/zinc/41/46/32/567414632.db2.gz GDECKAJBEHIKGG-UHFFFAOYSA-N 0 0 376.170 3.076 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NC[C@]1(CO)CCc2ccccc21 ZINC000593483239 567417812 /nfs/dbraw/zinc/41/78/12/567417812.db2.gz CQXZEKFNDHBREQ-INIZCTEOSA-N 0 0 378.226 3.041 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1N1CC[C@]2(CC2(F)F)C1 ZINC000593523708 567420609 /nfs/dbraw/zinc/42/06/09/567420609.db2.gz XVDQODZIVOKQLK-NSHDSACASA-N 0 0 380.132 3.435 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Cl)nc1 ZINC000593536201 567422639 /nfs/dbraw/zinc/42/26/39/567422639.db2.gz VJIYGZYACQHXMY-CYBMUJFWSA-N 0 0 381.841 3.039 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3cccc(Cl)c3)CC2)nc1 ZINC000593590929 567426448 /nfs/dbraw/zinc/42/64/48/567426448.db2.gz KWVKPBYJYBEWQX-UHFFFAOYSA-N 0 0 381.841 3.212 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCc2ccc(Cl)s2)nc1 ZINC000593592104 567426532 /nfs/dbraw/zinc/42/65/32/567426532.db2.gz FCOOHXVOOARTCJ-UHFFFAOYSA-N 0 0 375.859 3.006 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)nc1 ZINC000593585886 567427121 /nfs/dbraw/zinc/42/71/21/567427121.db2.gz WELLVJQLFTWBAM-UHFFFAOYSA-N 0 0 381.841 3.212 10 5 GGBERN COC[C@@H]1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000457066845 567436694 /nfs/dbraw/zinc/43/66/94/567436694.db2.gz WGCBGSGTNKUUCS-SECBINFHSA-N 0 0 377.260 3.308 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(C2(O)CC2)CC1 ZINC000593770059 567439173 /nfs/dbraw/zinc/43/91/73/567439173.db2.gz PIGQJKFYXZSARI-UHFFFAOYSA-N 0 0 383.242 3.043 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457330699 567457512 /nfs/dbraw/zinc/45/75/12/567457512.db2.gz QALVHFQFZSCVKO-OAHLLOKOSA-N 0 0 391.225 3.433 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCSc2ccccc21 ZINC000619507326 567460520 /nfs/dbraw/zinc/46/05/20/567460520.db2.gz DQUMGXWZWJLLJZ-UHFFFAOYSA-N 0 0 380.447 3.295 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cc(F)c(Cl)cc1F ZINC000619500430 567460980 /nfs/dbraw/zinc/46/09/80/567460980.db2.gz VWOFLUUJGQDFGD-UHFFFAOYSA-N 0 0 392.767 3.014 10 5 GGBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000594139432 567461714 /nfs/dbraw/zinc/46/17/14/567461714.db2.gz JUDWUMYFZPDQOR-AULYBMBSSA-N 0 0 385.258 3.362 10 5 GGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594164123 567463374 /nfs/dbraw/zinc/46/33/74/567463374.db2.gz HDVHLIDTQRHQHM-GXFFZTMASA-N 0 0 378.372 3.303 10 5 GGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594164122 567463556 /nfs/dbraw/zinc/46/35/56/567463556.db2.gz HDVHLIDTQRHQHM-GWCFXTLKSA-N 0 0 378.372 3.303 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594165273 567463770 /nfs/dbraw/zinc/46/37/70/567463770.db2.gz OLEYLSYRMQPXCP-AAEUAGOBSA-N 0 0 378.372 3.303 10 5 GGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc2[nH]cnc21 ZINC000503124817 567469937 /nfs/dbraw/zinc/46/99/37/567469937.db2.gz GGPCKVQILKWCRL-UHFFFAOYSA-N 0 0 375.182 3.164 10 5 GGBERN COc1ccc(S(=O)(=O)N[C@H](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000594486125 567480373 /nfs/dbraw/zinc/48/03/73/567480373.db2.gz DHLXLOPWPAXJNS-SNVBAGLBSA-N 0 0 378.397 3.096 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000594486465 567480633 /nfs/dbraw/zinc/48/06/33/567480633.db2.gz GFOSJZZWPKYRBK-SNVBAGLBSA-N 0 0 378.397 3.096 10 5 GGBERN COc1cc(CCO)cc(OCc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000594490705 567482184 /nfs/dbraw/zinc/48/21/84/567482184.db2.gz QLUMIIFTOPIWRZ-UHFFFAOYSA-N 0 0 382.210 3.480 10 5 GGBERN CNS(=O)(=O)c1ccc(N[C@H](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000594601931 567489952 /nfs/dbraw/zinc/48/99/52/567489952.db2.gz PQRRZZYETHJPHY-SNVBAGLBSA-N 0 0 377.413 3.129 10 5 GGBERN Cc1nc(C)c(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000551333109 567497635 /nfs/dbraw/zinc/49/76/35/567497635.db2.gz VBSXJSOBCMHYEQ-UHFFFAOYSA-N 0 0 395.213 3.041 10 5 GGBERN CC(C)C(=O)N1CCC(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000551332891 567497871 /nfs/dbraw/zinc/49/78/71/567497871.db2.gz RWASEAFLEOIVDV-UHFFFAOYSA-N 0 0 398.257 3.190 10 5 GGBERN O=C(Nc1cnc(CC2CC2)nc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000551351538 567498981 /nfs/dbraw/zinc/49/89/81/567498981.db2.gz ZHAFVAUBVATEMY-UHFFFAOYSA-N 0 0 383.227 3.414 10 5 GGBERN Cc1cccn2c(=O)cc(CNc3cc(Br)cc([N+](=O)[O-])c3)nc12 ZINC000551359976 567500471 /nfs/dbraw/zinc/50/04/71/567500471.db2.gz DOTYXVPWSWSEII-UHFFFAOYSA-N 0 0 389.209 3.286 10 5 GGBERN CC(C)Oc1nc(N[C@@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000570643819 567502479 /nfs/dbraw/zinc/50/24/79/567502479.db2.gz ARZYUWGIFSUEDK-ZDUSSCGKSA-N 0 0 396.241 3.107 10 5 GGBERN CC(C)(C)C1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000570657808 567503439 /nfs/dbraw/zinc/50/34/39/567503439.db2.gz BXILTFCDWNTDCR-UHFFFAOYSA-N 0 0 388.205 3.318 10 5 GGBERN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759676 567507578 /nfs/dbraw/zinc/50/75/78/567507578.db2.gz HZMCXZGWMMTYGF-VXGBXAGGSA-N 0 0 383.857 3.456 10 5 GGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1nnc(CC(F)(F)F)s1 ZINC000570847670 567518013 /nfs/dbraw/zinc/51/80/13/567518013.db2.gz NCIYCTULKBOQPN-UHFFFAOYSA-N 0 0 382.270 3.011 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](CCF)C2)c(C(F)(F)F)c1 ZINC000594857810 567520440 /nfs/dbraw/zinc/52/04/40/567520440.db2.gz QPLCLIOWKZCWBE-SNVBAGLBSA-N 0 0 384.351 3.374 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](CCF)C2)c(Br)c1 ZINC000594857075 567520454 /nfs/dbraw/zinc/52/04/54/567520454.db2.gz NTQPLDUDCWVBNY-SNVBAGLBSA-N 0 0 395.250 3.118 10 5 GGBERN C[C@]1(CCNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(F)F ZINC000594855476 567520637 /nfs/dbraw/zinc/52/06/37/567520637.db2.gz CLBOEEMKNGXOOU-NSHDSACASA-N 0 0 399.213 3.071 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](CCF)C2)c(C(F)(F)F)c1 ZINC000594857809 567520877 /nfs/dbraw/zinc/52/08/77/567520877.db2.gz QPLCLIOWKZCWBE-JTQLQIEISA-N 0 0 384.351 3.374 10 5 GGBERN Cc1ccc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1Br ZINC000438266524 567525279 /nfs/dbraw/zinc/52/52/79/567525279.db2.gz MEBOSQINHBOZQD-UHFFFAOYSA-N 0 0 390.237 3.188 10 5 GGBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1ncc(Br)cc1Cl)CCCC2 ZINC000594905678 567525552 /nfs/dbraw/zinc/52/55/52/567525552.db2.gz BEGMXJPXRRUQQX-UHFFFAOYSA-N 0 0 398.644 3.495 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc2[nH]c(=O)oc21 ZINC000551666011 567527853 /nfs/dbraw/zinc/52/78/53/567527853.db2.gz ODSZPCPDFINPLU-UHFFFAOYSA-N 0 0 378.138 3.456 10 5 GGBERN O=C(Cn1ncc2ccccc21)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551682232 567528534 /nfs/dbraw/zinc/52/85/34/567528534.db2.gz KHKKHECZSDJOSB-UHFFFAOYSA-N 0 0 375.182 3.346 10 5 GGBERN COC(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551668447 567528552 /nfs/dbraw/zinc/52/85/52/567528552.db2.gz ROWSXVPPDINKNP-UHFFFAOYSA-N 0 0 379.166 3.396 10 5 GGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN1c1nccs1 ZINC000479386573 567530826 /nfs/dbraw/zinc/53/08/26/567530826.db2.gz ZLDBLXQGZFPDCR-CYBMUJFWSA-N 0 0 380.857 3.032 10 5 GGBERN Nc1c(C(=O)N[C@@H]2CCOc3c(Br)cccc32)cccc1[N+](=O)[O-] ZINC000504332676 567530860 /nfs/dbraw/zinc/53/08/60/567530860.db2.gz VPRNKTXKFKLCKT-GFCCVEGCSA-N 0 0 392.209 3.193 10 5 GGBERN CCCCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000551708891 567531064 /nfs/dbraw/zinc/53/10/64/567531064.db2.gz QIUPRQKQVCESTM-UHFFFAOYSA-N 0 0 384.230 3.087 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000479412096 567532710 /nfs/dbraw/zinc/53/27/10/567532710.db2.gz AVSFRBSGTQIRMM-XHDPSFHLSA-N 0 0 390.889 3.429 10 5 GGBERN CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551754455 567532897 /nfs/dbraw/zinc/53/28/97/567532897.db2.gz CJIGPKVIEYEVGO-NSHDSACASA-N 0 0 396.241 3.111 10 5 GGBERN C[C@H](Sc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000504393921 567533892 /nfs/dbraw/zinc/53/38/92/567533892.db2.gz BJIHHCUQKQCOQJ-NSHDSACASA-N 0 0 380.447 3.118 10 5 GGBERN C[C@@H](Sc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000504393920 567534402 /nfs/dbraw/zinc/53/44/02/567534402.db2.gz BJIHHCUQKQCOQJ-LLVKDONJSA-N 0 0 380.447 3.118 10 5 GGBERN COc1cnccc1[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438606356 567537066 /nfs/dbraw/zinc/53/70/66/567537066.db2.gz IGAYWGJQNBYFPX-SECBINFHSA-N 0 0 380.198 3.252 10 5 GGBERN O=[N+]([O-])c1ccc(Cc2noc(Cc3cscc3Br)n2)nc1 ZINC000571110184 567538222 /nfs/dbraw/zinc/53/82/22/567538222.db2.gz VNFUDVGQTHDAAS-UHFFFAOYSA-N 0 0 381.211 3.378 10 5 GGBERN Cn1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C(F)F)n1 ZINC000551969619 567546060 /nfs/dbraw/zinc/54/60/60/567546060.db2.gz RXRAFUSFZYEQDO-UHFFFAOYSA-N 0 0 375.129 3.281 10 5 GGBERN O=[N+]([O-])c1cc(F)ccc1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000595291305 567551819 /nfs/dbraw/zinc/55/18/19/567551819.db2.gz JLPCDANQHXALHO-UHFFFAOYSA-N 0 0 395.232 3.214 10 5 GGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cnc2c(Br)cccn12 ZINC000552075419 567555980 /nfs/dbraw/zinc/55/59/80/567555980.db2.gz WOSDQKXLPUHTNN-UHFFFAOYSA-N 0 0 391.181 3.023 10 5 GGBERN CC1(C)[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1(F)F ZINC000595353037 567558015 /nfs/dbraw/zinc/55/80/15/567558015.db2.gz PPVFDHQHTKIZCX-SNVBAGLBSA-N 0 0 388.314 3.183 10 5 GGBERN CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000595363888 567559213 /nfs/dbraw/zinc/55/92/13/567559213.db2.gz LAQDURSGVPRZOD-ZDUSSCGKSA-N 0 0 377.260 3.070 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000595381294 567560440 /nfs/dbraw/zinc/56/04/40/567560440.db2.gz VQMSNPWLMBMFMP-UHOFOFEASA-N 0 0 382.800 3.004 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000595380104 567560981 /nfs/dbraw/zinc/56/09/81/567560981.db2.gz JYUASCZYUAJUNX-NILFDRSVSA-N 0 0 382.800 3.004 10 5 GGBERN CC[C@@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000439087793 567564814 /nfs/dbraw/zinc/56/48/14/567564814.db2.gz FNGSPNHOWUVROA-MRXNPFEDSA-N 0 0 384.479 3.008 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN2CC[C@H]2C(F)(F)F)c1 ZINC000595489981 567568230 /nfs/dbraw/zinc/56/82/30/567568230.db2.gz WJEYDZHMMBTGPN-JTQLQIEISA-N 0 0 386.111 3.336 10 5 GGBERN COc1ccc(Br)cc1C1(NCc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595563243 567571021 /nfs/dbraw/zinc/57/10/21/567571021.db2.gz OZKJGGGECTUNRI-UHFFFAOYSA-N 0 0 382.214 3.441 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(Cc2nnc(-c3c(Cl)cccc3Cl)o2)c1=O ZINC000479961280 567571237 /nfs/dbraw/zinc/57/12/37/567571237.db2.gz PWUQPYDVPGFQDI-UHFFFAOYSA-N 0 0 381.175 3.470 10 5 GGBERN CO[C@@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000479951166 567571367 /nfs/dbraw/zinc/57/13/67/567571367.db2.gz UNUDDPYEBXSVNA-YMTOWFKASA-N 0 0 390.870 3.364 10 5 GGBERN O=C(Cc1cscc1Br)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000505374791 567572648 /nfs/dbraw/zinc/57/26/48/567572648.db2.gz IFRHWYFVKHLZGN-UHFFFAOYSA-N 0 0 397.250 3.251 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000439225218 567573363 /nfs/dbraw/zinc/57/33/63/567573363.db2.gz RDBNBYHRNNZONX-VHSXEESVSA-N 0 0 391.287 3.475 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000439225219 567573717 /nfs/dbraw/zinc/57/37/17/567573717.db2.gz RDBNBYHRNNZONX-ZJUUUORDSA-N 0 0 391.287 3.475 10 5 GGBERN O=C(Nc1cnc2c(Br)cccn12)c1ccc([N+](=O)[O-])cc1F ZINC000552297024 567574673 /nfs/dbraw/zinc/57/46/73/567574673.db2.gz YWSDGNUZINMSPL-UHFFFAOYSA-N 0 0 379.145 3.396 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439275220 567579247 /nfs/dbraw/zinc/57/92/47/567579247.db2.gz OXZYKDFOBOTKPV-NWDGAFQWSA-N 0 0 383.242 3.246 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439275221 567579325 /nfs/dbraw/zinc/57/93/25/567579325.db2.gz OXZYKDFOBOTKPV-RYUDHWBXSA-N 0 0 383.242 3.246 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439271275 567579387 /nfs/dbraw/zinc/57/93/87/567579387.db2.gz IMVNVCFLLRVXNW-KGLIPLIRSA-N 0 0 397.269 3.175 10 5 GGBERN COc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc(OC)c1O ZINC000552398272 567587045 /nfs/dbraw/zinc/58/70/45/567587045.db2.gz IUXISVGSGSSXPP-UHFFFAOYSA-N 0 0 397.181 3.332 10 5 GGBERN CCCC(=O)N1CCC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000552399088 567587069 /nfs/dbraw/zinc/58/70/69/567587069.db2.gz BKQJBNHEDVPGPI-NSHDSACASA-N 0 0 398.257 3.335 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cc2ccccc2s1 ZINC000552505778 567593709 /nfs/dbraw/zinc/59/37/09/567593709.db2.gz QQXFGFZPFGRRMO-UHFFFAOYSA-N 0 0 378.431 3.297 10 5 GGBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000571869692 567595323 /nfs/dbraw/zinc/59/53/23/567595323.db2.gz PADZIKRGGOCLNK-QMMMGPOBSA-N 0 0 382.262 3.454 10 5 GGBERN Cc1nn(C)c(C)c1C[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000571869691 567595348 /nfs/dbraw/zinc/59/53/48/567595348.db2.gz PADZIKRGGOCLNK-MRVPVSSYSA-N 0 0 382.262 3.454 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1NCc1cccc(N2CCOCC2)n1 ZINC000480314924 567595838 /nfs/dbraw/zinc/59/58/38/567595838.db2.gz OMBUKYHRADSQLR-UHFFFAOYSA-N 0 0 393.241 3.201 10 5 GGBERN O=[N+]([O-])c1cccc(F)c1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000505858672 567599974 /nfs/dbraw/zinc/59/99/74/567599974.db2.gz IBYBOSGZEBMSKQ-UHFFFAOYSA-N 0 0 395.232 3.214 10 5 GGBERN COCCOc1ccc(Br)cc1NCc1onc(C)c1[N+](=O)[O-] ZINC000596032975 567600551 /nfs/dbraw/zinc/60/05/51/567600551.db2.gz URQISGGIJQTUKH-UHFFFAOYSA-N 0 0 386.202 3.291 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439923629 567608560 /nfs/dbraw/zinc/60/85/60/567608560.db2.gz RBEAMNAIXAHQQC-VXGBXAGGSA-N 0 0 383.242 3.246 10 5 GGBERN COC(=O)c1c(Cl)c(NC2CCN(CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000596099818 567608887 /nfs/dbraw/zinc/60/88/87/567608887.db2.gz XUXIZSSVIBRVOQ-UHFFFAOYSA-N 0 0 377.775 3.176 10 5 GGBERN COc1cc(NCc2cccc(CS(C)(=O)=O)c2)c(Cl)cc1[N+](=O)[O-] ZINC000596097848 567609040 /nfs/dbraw/zinc/60/90/40/567609040.db2.gz HRQKVFLGXMDDQJ-UHFFFAOYSA-N 0 0 384.841 3.414 10 5 GGBERN COC(=O)c1c(Cl)c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596145933 567611020 /nfs/dbraw/zinc/61/10/20/567611020.db2.gz SOPFUDFRSHZFPB-XVKPBYJWSA-N 0 0 382.722 3.191 10 5 GGBERN COc1cc(N2CCCN(c3nc(C)ns3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596142332 567612014 /nfs/dbraw/zinc/61/20/14/567612014.db2.gz PSSPECMEQWAEMQ-UHFFFAOYSA-N 0 0 383.861 3.133 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCCC(F)(F)C1 ZINC000596166629 567613663 /nfs/dbraw/zinc/61/36/63/567613663.db2.gz WXEZEMJMCIHSJF-LLVKDONJSA-N 0 0 377.413 3.273 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC1CCC(F)(F)CC1 ZINC000596176939 567614062 /nfs/dbraw/zinc/61/40/62/567614062.db2.gz BIEGQTVEKQRQKF-UHFFFAOYSA-N 0 0 377.413 3.273 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H](CC)CC(F)(F)F ZINC000596195125 567614730 /nfs/dbraw/zinc/61/47/30/567614730.db2.gz GTDPZKZYLWBKRN-SNVBAGLBSA-N 0 0 383.392 3.426 10 5 GGBERN COC(=O)c1c(Cl)c(NCCOCC(F)(F)C(F)F)ccc1[N+](=O)[O-] ZINC000596211880 567615682 /nfs/dbraw/zinc/61/56/82/567615682.db2.gz YHUUFZOAXXLGFC-UHFFFAOYSA-N 0 0 388.701 3.364 10 5 GGBERN O=[N+]([O-])c1cccc(Br)c1N1CCC(Oc2cnccn2)CC1 ZINC000596214610 567615988 /nfs/dbraw/zinc/61/59/88/567615988.db2.gz XGHKZCFTNQVWIF-UHFFFAOYSA-N 0 0 379.214 3.195 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccccc1SC ZINC000480607683 567616528 /nfs/dbraw/zinc/61/65/28/567616528.db2.gz JGCVDXHJVPMENQ-UHFFFAOYSA-N 0 0 382.463 3.146 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)C(F)(F)F ZINC000596222588 567617012 /nfs/dbraw/zinc/61/70/12/567617012.db2.gz WPYHOHTWFPOOAX-UHFFFAOYSA-N 0 0 383.392 3.284 10 5 GGBERN COC(=O)c1c(Cl)c(N2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596229711 567617652 /nfs/dbraw/zinc/61/76/52/567617652.db2.gz DRTWDJLVGDVAJZ-OIBJUYFYSA-N 0 0 382.722 3.191 10 5 GGBERN COC(=O)c1cc(C)nc(NCc2cc(F)ccc2Br)c1[N+](=O)[O-] ZINC000552950857 567617873 /nfs/dbraw/zinc/61/78/73/567617873.db2.gz JNQJMHVRSWVRIA-UHFFFAOYSA-N 0 0 398.188 3.020 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCCC1(F)F ZINC000596253745 567618307 /nfs/dbraw/zinc/61/83/07/567618307.db2.gz DHZJEDYQXYQGQI-LLVKDONJSA-N 0 0 377.413 3.130 10 5 GGBERN COc1cc(NC[C@@H]2CS(=O)(=O)c3ccccc32)c(Cl)cc1[N+](=O)[O-] ZINC000596255730 567618393 /nfs/dbraw/zinc/61/83/93/567618393.db2.gz RVJQRXHLLNKQOJ-SNVBAGLBSA-N 0 0 382.825 3.240 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000596251408 567618549 /nfs/dbraw/zinc/61/85/49/567618549.db2.gz WTYAPOBKFNHIDF-ONGXEEELSA-N 0 0 381.376 3.165 10 5 GGBERN NS(=O)(=O)c1c(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000572198923 567620120 /nfs/dbraw/zinc/62/01/20/567620120.db2.gz RLXBVXDUJLSRTA-AULYBMBSSA-N 0 0 381.841 3.254 10 5 GGBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000596368614 567627889 /nfs/dbraw/zinc/62/78/89/567627889.db2.gz LKRIWNFPRXDAMG-IJLUTSLNSA-N 0 0 388.262 3.039 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(OC3CC3)c2F)s1 ZINC000596450737 567634731 /nfs/dbraw/zinc/63/47/31/567634731.db2.gz UYQDCYUEWWNPBS-UHFFFAOYSA-N 0 0 386.426 3.352 10 5 GGBERN C[C@@H](COc1c(F)cccc1F)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596451374 567634781 /nfs/dbraw/zinc/63/47/81/567634781.db2.gz WZKZULWFSWAGKV-QMMMGPOBSA-N 0 0 392.405 3.217 10 5 GGBERN CC(C)(C)c1nnc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[nH]1 ZINC000459552558 567635858 /nfs/dbraw/zinc/63/58/58/567635858.db2.gz UXGFUDVVHWZBDX-UHFFFAOYSA-N 0 0 397.233 3.095 10 5 GGBERN Cn1cc(C[C@H]2CCC[C@H]2Nc2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000596486796 567635980 /nfs/dbraw/zinc/63/59/80/567635980.db2.gz CJBHVASKMPRIBB-BXUZGUMPSA-N 0 0 380.246 3.309 10 5 GGBERN C[C@]12COC[C@@H]1CN(c1c3cc(Br)ccc3ncc1[N+](=O)[O-])C2 ZINC000596482485 567636352 /nfs/dbraw/zinc/63/63/52/567636352.db2.gz KTRKYRDITINACD-QFYYESIMSA-N 0 0 378.226 3.378 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H]2COC[C@H]2C1 ZINC000596530029 567638357 /nfs/dbraw/zinc/63/83/57/567638357.db2.gz SZNNJWCKUDIHPO-GHMZBOCLSA-N 0 0 378.226 3.378 10 5 GGBERN Cc1c(Br)c(N2CCOc3ccc(O)cc3C2)ncc1[N+](=O)[O-] ZINC000596534417 567638708 /nfs/dbraw/zinc/63/87/08/567638708.db2.gz NAWUXKCTJPZHDZ-UHFFFAOYSA-N 0 0 380.198 3.165 10 5 GGBERN COC(=O)c1cnc(N2Cc3ccc(C)c(Br)c3C2)c([N+](=O)[O-])c1 ZINC000596547408 567638987 /nfs/dbraw/zinc/63/89/87/567638987.db2.gz DQZJWBPWTGJHRY-UHFFFAOYSA-N 0 0 392.209 3.368 10 5 GGBERN C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000596553738 567639765 /nfs/dbraw/zinc/63/97/65/567639765.db2.gz HBUHGQGICPDTEF-SFYZADRCSA-N 0 0 384.152 3.298 10 5 GGBERN C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000596555898 567639959 /nfs/dbraw/zinc/63/99/59/567639959.db2.gz UMTFJNBGKCDJJY-CBAPKCEASA-N 0 0 384.152 3.298 10 5 GGBERN Cc1c(Br)c(N2C[C@@H](C)O[C@@](C)(C(F)F)C2)ncc1[N+](=O)[O-] ZINC000596572979 567641035 /nfs/dbraw/zinc/64/10/35/567641035.db2.gz JCAXLTOGWXMGAO-FUXBKTLASA-N 0 0 380.189 3.310 10 5 GGBERN CO[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[C@H]1CCOC1 ZINC000596586186 567642864 /nfs/dbraw/zinc/64/28/64/567642864.db2.gz FXVXBUCVQKZHBV-HZMBPMFUSA-N 0 0 398.213 3.055 10 5 GGBERN CO[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[C@@H]1CCOC1 ZINC000596586188 567642891 /nfs/dbraw/zinc/64/28/91/567642891.db2.gz FXVXBUCVQKZHBV-QMTHXVAHSA-N 0 0 398.213 3.055 10 5 GGBERN Cc1cc(N2C[C@@]3(CCOC3)OC(C)(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000481038566 567653304 /nfs/dbraw/zinc/65/33/04/567653304.db2.gz OSDATBOPEUKVCA-MRXNPFEDSA-N 0 0 385.258 3.440 10 5 GGBERN O=[N+]([O-])c1ccc(NCc2ccc(I)cc2Cl)nc1 ZINC000481078340 567657276 /nfs/dbraw/zinc/65/72/76/567657276.db2.gz WHCXHINLGVTJDV-UHFFFAOYSA-N 0 0 389.580 3.282 10 5 GGBERN CC1(C)C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccc(F)cc2O1 ZINC000481074002 567657418 /nfs/dbraw/zinc/65/74/18/567657418.db2.gz NMCWLHBPONMCKR-LLVKDONJSA-N 0 0 386.426 3.376 10 5 GGBERN C[C@@]1(c2ccc(F)cc2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000481119895 567659930 /nfs/dbraw/zinc/65/99/30/567659930.db2.gz YJRXACVRUCSLLE-MRXNPFEDSA-N 0 0 384.454 3.367 10 5 GGBERN Cc1c(NC(=O)N[C@H]2C[C@H](O)C23CCC3)cc(Br)cc1[N+](=O)[O-] ZINC000596889198 567662080 /nfs/dbraw/zinc/66/20/80/567662080.db2.gz WHNNOKDNXFPIST-STQMWFEESA-N 0 0 384.230 3.091 10 5 GGBERN Cc1c(NC(=O)NCC2CCC(O)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000596887380 567662118 /nfs/dbraw/zinc/66/21/18/567662118.db2.gz ADSAXLKVQCBWSK-UHFFFAOYSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1c(NC(=O)N2C[C@H]3COC[C@@]3(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596888064 567662230 /nfs/dbraw/zinc/66/22/30/567662230.db2.gz LRKMIPQJXFEBQF-ZUZCIYMTSA-N 0 0 384.230 3.166 10 5 GGBERN Cc1c(NC(=O)N[C@@H](C)c2nccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000596888370 567662397 /nfs/dbraw/zinc/66/23/97/567662397.db2.gz POWVXABQGITOFA-VIFPVBQESA-N 0 0 382.218 3.282 10 5 GGBERN Cc1c(NC(=O)N2C[C@@H]3COC[C@]3(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596888061 567662592 /nfs/dbraw/zinc/66/25/92/567662592.db2.gz LRKMIPQJXFEBQF-BMIGLBTASA-N 0 0 384.230 3.166 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2c(Br)cccc21 ZINC000441510268 567666427 /nfs/dbraw/zinc/66/64/27/567666427.db2.gz CLMXOLVCPPBDOK-UHFFFAOYSA-N 0 0 378.182 3.100 10 5 GGBERN O=[N+]([O-])c1ccccc1N1CCN(Cc2c(F)cncc2Br)CC1 ZINC000596977080 567668111 /nfs/dbraw/zinc/66/81/11/567668111.db2.gz DDSAXABADGYBMG-UHFFFAOYSA-N 0 0 395.232 3.214 10 5 GGBERN O=C(NCC1(c2ccccc2Br)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531629012 567670359 /nfs/dbraw/zinc/67/03/59/567670359.db2.gz JFDBYXPIRSTSDQ-UHFFFAOYSA-N 0 0 376.210 3.214 10 5 GGBERN O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531629117 567670371 /nfs/dbraw/zinc/67/03/71/567670371.db2.gz VWDHJTUWJVTZQA-UHFFFAOYSA-N 0 0 376.210 3.214 10 5 GGBERN O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553650570 567673599 /nfs/dbraw/zinc/67/35/99/567673599.db2.gz OOBQUDJFKGDAKM-UHFFFAOYSA-N 0 0 384.223 3.341 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(C[S@@](C)=O)cc1 ZINC000553743244 567678943 /nfs/dbraw/zinc/67/89/43/567678943.db2.gz DLBUAUAVZFHBGM-RUZDIDTESA-N 0 0 380.853 3.365 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(C[S@](C)=O)cc1 ZINC000553743245 567679161 /nfs/dbraw/zinc/67/91/61/567679161.db2.gz DLBUAUAVZFHBGM-VWLOTQADSA-N 0 0 380.853 3.365 10 5 GGBERN Cc1c(CNC(=O)c2[nH]nc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000481481654 567680275 /nfs/dbraw/zinc/68/02/75/567680275.db2.gz OSEONEKUJOWITL-UHFFFAOYSA-N 0 0 389.209 3.472 10 5 GGBERN Nc1c(NC(=O)N2CCO[C@H](CC(F)(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597092654 567680755 /nfs/dbraw/zinc/68/07/55/567680755.db2.gz OYURQOGJMNYTRV-MRVPVSSYSA-N 0 0 382.726 3.016 10 5 GGBERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105101 567680903 /nfs/dbraw/zinc/68/09/03/567680903.db2.gz WHTSPMHXHVZFBK-OZGSTZEOSA-N 0 0 388.877 3.032 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(CCc3ccccc3Br)no2)n1 ZINC000573015193 567681084 /nfs/dbraw/zinc/68/10/84/567681084.db2.gz VFCGVOYYQJZIGZ-UHFFFAOYSA-N 0 0 392.213 3.409 10 5 GGBERN Nc1c(NC(=O)N2CCO[C@@H](c3cccs3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597100507 567681050 /nfs/dbraw/zinc/68/10/50/567681050.db2.gz JVIMZOKHUWIZJZ-GFCCVEGCSA-N 0 0 382.829 3.497 10 5 GGBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091340 567681072 /nfs/dbraw/zinc/68/10/72/567681072.db2.gz DBQHVGDLZUDEJF-KSBSHMNSSA-N 0 0 382.726 3.014 10 5 GGBERN Nc1c(NC(=O)N2CCO[C@H](c3cccs3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597100513 567681148 /nfs/dbraw/zinc/68/11/48/567681148.db2.gz JVIMZOKHUWIZJZ-LBPRGKRZSA-N 0 0 382.829 3.497 10 5 GGBERN C[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H](C(F)(F)F)O1 ZINC000597097239 567681155 /nfs/dbraw/zinc/68/11/55/567681155.db2.gz FHFLOXSJMJUOGY-WKEGUHRASA-N 0 0 382.726 3.014 10 5 GGBERN CC[C@@H](COCC(F)(F)F)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092428 567681350 /nfs/dbraw/zinc/68/13/50/567681350.db2.gz KOUYEEREAVDFBB-QMMMGPOBSA-N 0 0 384.742 3.309 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(Cc3ccccc3Br)CC2)n1 ZINC000553786418 567684361 /nfs/dbraw/zinc/68/43/61/567684361.db2.gz ZVDQSTSTRKBLOR-UHFFFAOYSA-N 0 0 393.241 3.079 10 5 GGBERN CCn1c(CNC(=O)c2ccc([N+](=O)[O-])o2)nc2cc(Br)ccc21 ZINC000481564338 567688352 /nfs/dbraw/zinc/68/83/52/567688352.db2.gz OXAVDGBUJCNJCH-UHFFFAOYSA-N 0 0 393.197 3.250 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1SCC(N)=O ZINC000460471826 567690856 /nfs/dbraw/zinc/69/08/56/567690856.db2.gz MSAAORIGLKAXEK-UHFFFAOYSA-N 0 0 379.825 3.386 10 5 GGBERN C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000507679370 567696772 /nfs/dbraw/zinc/69/67/72/567696772.db2.gz TVAQUWCDDWJPID-ZETCQYMHSA-N 0 0 384.161 3.088 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)n1 ZINC000553907635 567698973 /nfs/dbraw/zinc/69/89/73/567698973.db2.gz NUFVAWLMXKDFNQ-CYBMUJFWSA-N 0 0 380.857 3.471 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000553914904 567699021 /nfs/dbraw/zinc/69/90/21/567699021.db2.gz XOLLMGBLRJJRHG-HNNXBMFYSA-N 0 0 382.463 3.437 10 5 GGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1I ZINC000532137509 567700833 /nfs/dbraw/zinc/70/08/33/567700833.db2.gz IPPTZDMSLYOHGA-UHFFFAOYSA-N 0 0 383.145 3.155 10 5 GGBERN COc1cc(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)on1 ZINC000597609188 567707730 /nfs/dbraw/zinc/70/77/30/567707730.db2.gz IGJKGQZREQERIE-UHFFFAOYSA-N 0 0 384.186 3.234 10 5 GGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597616743 567708304 /nfs/dbraw/zinc/70/83/04/567708304.db2.gz LXTQQXVXUYAMKU-WFASDCNBSA-N 0 0 376.210 3.286 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000597657447 567709890 /nfs/dbraw/zinc/70/98/90/567709890.db2.gz TWHFEBKYYCNGJB-LLVKDONJSA-N 0 0 379.766 3.313 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000507877270 567712191 /nfs/dbraw/zinc/71/21/91/567712191.db2.gz ZPLIWTGUHCFUDI-UHFFFAOYSA-N 0 0 384.816 3.443 10 5 GGBERN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000507865568 567712399 /nfs/dbraw/zinc/71/23/99/567712399.db2.gz SYGKCVSLDPIBPN-UHFFFAOYSA-N 0 0 382.266 3.261 10 5 GGBERN O=C(NCCCc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cn1 ZINC000532392945 567712667 /nfs/dbraw/zinc/71/26/67/567712667.db2.gz MZWDTUORTSJACC-UHFFFAOYSA-N 0 0 382.189 3.254 10 5 GGBERN Cc1[nH]nc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1Br ZINC000597731435 567715146 /nfs/dbraw/zinc/71/51/46/567715146.db2.gz KLHYMEIHPPTKJG-UHFFFAOYSA-N 0 0 383.202 3.105 10 5 GGBERN O=C(NC1(C(F)(F)F)CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000554209740 567716687 /nfs/dbraw/zinc/71/66/87/567716687.db2.gz OMRWRJDTCQEKAE-UHFFFAOYSA-N 0 0 397.147 3.199 10 5 GGBERN NS(=O)(=O)c1c(N[C@H]2CCCc3sc(Cl)cc32)cccc1[N+](=O)[O-] ZINC000573512886 567719475 /nfs/dbraw/zinc/71/94/75/567719475.db2.gz QIBXBYZRDOGCSI-VIFPVBQESA-N 0 0 387.870 3.447 10 5 GGBERN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)c([N+](=O)[O-])c1 ZINC000461108171 567720765 /nfs/dbraw/zinc/72/07/65/567720765.db2.gz PMMFHXBQVCSISS-UHFFFAOYSA-N 0 0 384.797 3.144 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1NCC1(CCO)CCC1 ZINC000532613974 567724673 /nfs/dbraw/zinc/72/46/73/567724673.db2.gz SZQFFTYINZJSCT-UHFFFAOYSA-N 0 0 376.194 3.164 10 5 GGBERN O=C(Cc1cscc1Br)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000508066796 567725173 /nfs/dbraw/zinc/72/51/73/567725173.db2.gz FFPKWHCBNXOAKT-UHFFFAOYSA-N 0 0 395.238 3.154 10 5 GGBERN C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cscn1 ZINC000598014560 567731632 /nfs/dbraw/zinc/73/16/32/567731632.db2.gz INCZTHLGNAPGIO-QMMMGPOBSA-N 0 0 375.328 3.483 10 5 GGBERN C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000554515237 567731851 /nfs/dbraw/zinc/73/18/51/567731851.db2.gz PODUHBHRLQXJSJ-NXEZZACHSA-N 0 0 379.214 3.128 10 5 GGBERN CCc1cnc(N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000461402948 567734634 /nfs/dbraw/zinc/73/46/34/567734634.db2.gz BEUUVABORIHCDS-UHFFFAOYSA-N 0 0 380.857 3.230 10 5 GGBERN COCC1(C2CCC2)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598061287 567736188 /nfs/dbraw/zinc/73/61/88/567736188.db2.gz LQGSPFONUUZFGH-UHFFFAOYSA-N 0 0 397.269 3.175 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000598067267 567737190 /nfs/dbraw/zinc/73/71/90/567737190.db2.gz WXXNGRMOWKXLFW-IYBDPMFKSA-N 0 0 383.242 3.164 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000443197519 567738830 /nfs/dbraw/zinc/73/88/30/567738830.db2.gz LNDZXGWTPKGACR-CYBMUJFWSA-N 0 0 378.303 3.158 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000443200207 567738915 /nfs/dbraw/zinc/73/89/15/567738915.db2.gz GBFJVWCARHZXCY-CQSZACIVSA-N 0 0 382.825 3.228 10 5 GGBERN CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000573868885 567741420 /nfs/dbraw/zinc/74/14/20/567741420.db2.gz RRZJBPVBYIFNLD-JTQLQIEISA-N 0 0 386.246 3.189 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(C[C@H](C)O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000443220828 567741435 /nfs/dbraw/zinc/74/14/35/567741435.db2.gz XGTXQCYFSLWOEM-NSHDSACASA-N 0 0 390.889 3.261 10 5 GGBERN Cn1c(C(=O)N[C@H]2CSCc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC000598194375 567745843 /nfs/dbraw/zinc/74/58/43/567745843.db2.gz GJRKVCWKJBPFRN-LBPRGKRZSA-N 0 0 396.266 3.414 10 5 GGBERN Cc1n[nH]c(C(=O)N[C@H]2CSCc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000598195640 567746496 /nfs/dbraw/zinc/74/64/96/567746496.db2.gz QEFXAMQRUJVMHI-NSHDSACASA-N 0 0 397.254 3.107 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c(Br)c1 ZINC000533007189 567746790 /nfs/dbraw/zinc/74/67/90/567746790.db2.gz SFJXGQKMXKYIHZ-QMMMGPOBSA-N 0 0 399.213 3.214 10 5 GGBERN Cc1[nH]nc(C(=O)Nc2ccc(Br)cc2NC(C)C)c1[N+](=O)[O-] ZINC000598234267 567750826 /nfs/dbraw/zinc/75/08/26/567750826.db2.gz GMYRCXMMAHUJRU-UHFFFAOYSA-N 0 0 382.218 3.461 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000443389005 567753336 /nfs/dbraw/zinc/75/33/36/567753336.db2.gz UQTDKSZMIACVFP-JTQLQIEISA-N 0 0 384.841 3.172 10 5 GGBERN CCS(=O)(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000598315470 567755811 /nfs/dbraw/zinc/75/58/11/567755811.db2.gz DTXABMKMWRGFHI-UHFFFAOYSA-N 0 0 383.451 3.003 10 5 GGBERN CC1(C)[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1(F)F ZINC000598341180 567758139 /nfs/dbraw/zinc/75/81/39/567758139.db2.gz OUXRBQOKUFQDFO-LLVKDONJSA-N 0 0 377.185 3.307 10 5 GGBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000598380262 567760399 /nfs/dbraw/zinc/76/03/99/567760399.db2.gz GNDYYSVBFCKETI-ZDUSSCGKSA-N 0 0 388.205 3.364 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000443496485 567762307 /nfs/dbraw/zinc/76/23/07/567762307.db2.gz ZGOKCXVTFRFTMC-WBMJQRKESA-N 0 0 390.889 3.166 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)n1 ZINC000598454465 567770025 /nfs/dbraw/zinc/77/00/25/567770025.db2.gz VTJAKMYEADAAOS-ZDUSSCGKSA-N 0 0 393.241 3.288 10 5 GGBERN Cc1ccc2c(c1Br)CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C2 ZINC000598468611 567770063 /nfs/dbraw/zinc/77/00/63/567770063.db2.gz KIDJZSJVOSNBKJ-UHFFFAOYSA-N 0 0 393.241 3.140 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)n1 ZINC000598454463 567770132 /nfs/dbraw/zinc/77/01/32/567770132.db2.gz VTJAKMYEADAAOS-CYBMUJFWSA-N 0 0 393.241 3.288 10 5 GGBERN COC(=O)[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000533504357 567771393 /nfs/dbraw/zinc/77/13/93/567771393.db2.gz DKIBPSQMFHOLHF-CYBMUJFWSA-N 0 0 385.239 3.423 10 5 GGBERN CN(CCOc1ccc(Cl)cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443709875 567772126 /nfs/dbraw/zinc/77/21/26/567772126.db2.gz QGZSWFJZAAVGNU-UHFFFAOYSA-N 0 0 384.841 3.089 10 5 GGBERN CSc1cccc(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000598506347 567772439 /nfs/dbraw/zinc/77/24/39/567772439.db2.gz FDJIAXLGBOQSEJ-ZJUUUORDSA-N 0 0 378.372 3.499 10 5 GGBERN CCOc1cc(Cl)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443721401 567772598 /nfs/dbraw/zinc/77/25/98/567772598.db2.gz SXWZETWSYPQHAJ-UHFFFAOYSA-N 0 0 376.843 3.187 10 5 GGBERN CSc1cccc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000598506344 567772796 /nfs/dbraw/zinc/77/27/96/567772796.db2.gz FDJIAXLGBOQSEJ-NXEZZACHSA-N 0 0 378.372 3.499 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598540779 567774161 /nfs/dbraw/zinc/77/41/61/567774161.db2.gz GKQKHJKVQKDKQQ-CALCHBBNSA-N 0 0 395.253 3.390 10 5 GGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@](C)(C(F)F)O1 ZINC000598562200 567777015 /nfs/dbraw/zinc/77/70/15/567777015.db2.gz CAAPLAOSCAWMQL-RTHLEPHNSA-N 0 0 393.184 3.242 10 5 GGBERN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000598566809 567777510 /nfs/dbraw/zinc/77/75/10/567777510.db2.gz ZYZRRELIFANDEW-XLKFXECMSA-N 0 0 393.184 3.242 10 5 GGBERN C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000598566700 567777829 /nfs/dbraw/zinc/77/78/29/567777829.db2.gz YXPDZULMMOBLAN-RTHLEPHNSA-N 0 0 393.184 3.242 10 5 GGBERN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000598566701 567777989 /nfs/dbraw/zinc/77/79/89/567777989.db2.gz YXPDZULMMOBLAN-XLKFXECMSA-N 0 0 393.184 3.242 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000598626858 567779969 /nfs/dbraw/zinc/77/99/69/567779969.db2.gz BXZUSBKTISGNNR-ZDUSSCGKSA-N 0 0 378.397 3.096 10 5 GGBERN CCOC(=O)Cc1csc(Sc2ccc([N+](=O)[O-])c(OC(C)C)n2)n1 ZINC000574464985 567780356 /nfs/dbraw/zinc/78/03/56/567780356.db2.gz ZYXBLLSDDXMGSF-UHFFFAOYSA-N 0 0 383.451 3.490 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000598627151 567780458 /nfs/dbraw/zinc/78/04/58/567780458.db2.gz FJMBHJBIVSIPLD-AWEZNQCLSA-N 0 0 378.397 3.096 10 5 GGBERN COC(=O)c1ccnc(N2Cc3ccc(C)c(Br)c3C2)c1[N+](=O)[O-] ZINC000598636188 567780493 /nfs/dbraw/zinc/78/04/93/567780493.db2.gz UUXVYWZGBCGNLC-UHFFFAOYSA-N 0 0 392.209 3.368 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(NCC[C@@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000598639103 567781381 /nfs/dbraw/zinc/78/13/81/567781381.db2.gz QEUJFIFUVJZTIP-LLVKDONJSA-N 0 0 377.413 3.083 10 5 GGBERN Cc1cc(N2CCC[C@H](Nc3ccc(Br)cc3[N+](=O)[O-])C2)n(C)n1 ZINC000443956572 567782697 /nfs/dbraw/zinc/78/26/97/567782697.db2.gz IUQSPTOMEOEGID-ZDUSSCGKSA-N 0 0 394.273 3.480 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000574549580 567785179 /nfs/dbraw/zinc/78/51/79/567785179.db2.gz AAZSZPFLRAUDNF-ZDUSSCGKSA-N 0 0 381.841 3.123 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1c1ccc(I)cc1 ZINC000533783426 567786192 /nfs/dbraw/zinc/78/61/92/567786192.db2.gz OBRFRXPPJRIVHH-GFCCVEGCSA-N 0 0 398.204 3.274 10 5 GGBERN CCOc1ccc(Cl)cc1CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000555610558 567791360 /nfs/dbraw/zinc/79/13/60/567791360.db2.gz DEVQOUDIGYPHPG-UHFFFAOYSA-N 0 0 390.870 3.229 10 5 GGBERN COc1ccc(CCC(=O)N(C)c2ccc([N+](=O)[O-])nc2)c(Br)c1 ZINC000598832008 567793149 /nfs/dbraw/zinc/79/31/49/567793149.db2.gz RLIUWVHQELVBPM-UHFFFAOYSA-N 0 0 394.225 3.357 10 5 GGBERN CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598865826 567795434 /nfs/dbraw/zinc/79/54/34/567795434.db2.gz JHJOYXDSCAJBDR-UHFFFAOYSA-N 0 0 395.750 3.219 10 5 GGBERN CSc1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000533999879 567796270 /nfs/dbraw/zinc/79/62/70/567796270.db2.gz JCQXNYBSQRTYQC-UHFFFAOYSA-N 0 0 380.447 3.281 10 5 GGBERN CCCc1nccnc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598877777 567796346 /nfs/dbraw/zinc/79/63/46/567796346.db2.gz JHJHBSZIYOUONR-UHFFFAOYSA-N 0 0 379.214 3.281 10 5 GGBERN C[C@@H]1OCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C(F)(F)F ZINC000598890543 567797840 /nfs/dbraw/zinc/79/78/40/567797840.db2.gz RXOAVOYCHKCPBX-CPCISQLKSA-N 0 0 397.147 3.149 10 5 GGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1[nH]nc2ccc(Br)cc21 ZINC000534033831 567797935 /nfs/dbraw/zinc/79/79/35/567797935.db2.gz YUFHTHDNOJVKOM-UHFFFAOYSA-N 0 0 389.209 3.206 10 5 GGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C)[C@H]1C(F)(F)F ZINC000598891262 567798129 /nfs/dbraw/zinc/79/81/29/567798129.db2.gz ZQOCBAIDSTUHLY-KWBADKCTSA-N 0 0 378.372 3.254 10 5 GGBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000598933157 567799182 /nfs/dbraw/zinc/79/91/82/567799182.db2.gz OJISQPPADOVXPG-UHFFFAOYSA-N 0 0 382.189 3.033 10 5 GGBERN CC(C)c1ncc2c(n1)CCN(c1ncc([N+](=O)[O-])cc1Br)C2 ZINC000598943360 567799301 /nfs/dbraw/zinc/79/93/01/567799301.db2.gz ROEURVHCZDDKBK-UHFFFAOYSA-N 0 0 378.230 3.228 10 5 GGBERN CCCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000574830061 567799306 /nfs/dbraw/zinc/79/93/06/567799306.db2.gz FQILUDIWDMXOBV-AWEZNQCLSA-N 0 0 398.257 3.477 10 5 GGBERN COc1cc(CN2CCc3nccc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000598945981 567799829 /nfs/dbraw/zinc/79/98/29/567799829.db2.gz MZVYAYBTOJXORE-UHFFFAOYSA-N 0 0 378.226 3.319 10 5 GGBERN COc1cc(CN2CCc3nccc(Br)c3C2)c([N+](=O)[O-])cc1F ZINC000598945580 567799963 /nfs/dbraw/zinc/79/99/63/567799963.db2.gz LSJLJXUFGMIKJA-UHFFFAOYSA-N 0 0 396.216 3.458 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3nccc(Br)c3C2)c1 ZINC000598943705 567800144 /nfs/dbraw/zinc/80/01/44/567800144.db2.gz VZAZQCUTPSCHCB-UHFFFAOYSA-N 0 0 392.209 3.102 10 5 GGBERN O=C(CN1CCCSCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000534130480 567800307 /nfs/dbraw/zinc/80/03/07/567800307.db2.gz ALQFUFBUVBKWDT-UHFFFAOYSA-N 0 0 378.479 3.096 10 5 GGBERN O=C(NC[C@@H]1CCc2cccnc21)c1c(Br)cccc1[N+](=O)[O-] ZINC000598951681 567801020 /nfs/dbraw/zinc/80/10/20/567801020.db2.gz XARIUSWFAJUDAQ-NSHDSACASA-N 0 0 376.210 3.212 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000599122214 567806249 /nfs/dbraw/zinc/80/62/49/567806249.db2.gz CDTUQGCWMKHWOW-IAOVAPTHSA-N 0 0 378.837 3.402 10 5 GGBERN O=[N+]([O-])c1cnc(NC[C@H](n2cccn2)C(F)(F)F)c(Br)c1 ZINC000599117747 567806291 /nfs/dbraw/zinc/80/62/91/567806291.db2.gz PJRWDXSSRJTSIG-VIFPVBQESA-N 0 0 380.124 3.164 10 5 GGBERN CS(=O)(=O)c1ccc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c([N+](=O)[O-])c1 ZINC000599122609 567806472 /nfs/dbraw/zinc/80/64/72/567806472.db2.gz DKXKCQUUIXLXED-IAOVAPTHSA-N 0 0 378.837 3.402 10 5 GGBERN COc1cc(Br)ccc1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000599145594 567808023 /nfs/dbraw/zinc/80/80/23/567808023.db2.gz YIJAVFWXMZWEEZ-ZDUSSCGKSA-N 0 0 379.214 3.497 10 5 GGBERN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000599162825 567808140 /nfs/dbraw/zinc/80/81/40/567808140.db2.gz HCIRAIHNHGMKTB-HZMBPMFUSA-N 0 0 387.230 3.128 10 5 GGBERN Cc1cc(Br)ccc1[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000599174036 567808610 /nfs/dbraw/zinc/80/86/10/567808610.db2.gz ITZUPHUJVTWZLZ-LBPRGKRZSA-N 0 0 378.230 3.210 10 5 GGBERN CCc1nn(C)c(N2CC(Cc3ccccc3Br)C2)c1[N+](=O)[O-] ZINC000599183889 567809290 /nfs/dbraw/zinc/80/92/90/567809290.db2.gz DYYSWMRUQXPKMQ-UHFFFAOYSA-N 0 0 379.258 3.332 10 5 GGBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1csc(Br)c1 ZINC000444632183 567809487 /nfs/dbraw/zinc/80/94/87/567809487.db2.gz NWYGASWREQPDCR-UHFFFAOYSA-N 0 0 381.211 3.225 10 5 GGBERN O=C(Cc1ccc(Br)s1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444628199 567809885 /nfs/dbraw/zinc/80/98/85/567809885.db2.gz CDZJCLHNDXKGMT-UHFFFAOYSA-N 0 0 395.238 3.154 10 5 GGBERN C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599211124 567810220 /nfs/dbraw/zinc/81/02/20/567810220.db2.gz QSRWNROKRXEQIR-QMMMGPOBSA-N 0 0 393.252 3.017 10 5 GGBERN Nc1cc(N2CCc3cc(F)cc(Br)c3C2)cc(CO)c1[N+](=O)[O-] ZINC000599196493 567810243 /nfs/dbraw/zinc/81/02/43/567810243.db2.gz SHKCQTMHEYDSFP-UHFFFAOYSA-N 0 0 396.216 3.134 10 5 GGBERN CC(C)C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599241797 567810978 /nfs/dbraw/zinc/81/09/78/567810978.db2.gz DHQSHBWJDGEKLA-CYBMUJFWSA-N 0 0 386.861 3.047 10 5 GGBERN O=[N+]([O-])c1ccccc1N1CCN(Cc2ccncc2Br)CC1 ZINC000599260637 567812182 /nfs/dbraw/zinc/81/21/82/567812182.db2.gz HMADHKOTTKHLQE-UHFFFAOYSA-N 0 0 377.242 3.075 10 5 GGBERN CCc1onc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006087475 570240828 /nfs/dbraw/zinc/24/08/28/570240828.db2.gz AQUJSSNRRMLTMZ-VIFPVBQESA-N 0 0 381.772 3.291 10 5 GGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Cn2cncn2)c1 ZINC000048356380 570242809 /nfs/dbraw/zinc/24/28/09/570242809.db2.gz GUERITGJBFFISZ-AWEZNQCLSA-N 0 0 397.460 3.032 10 5 GGBERN O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117235160 570265892 /nfs/dbraw/zinc/26/58/92/570265892.db2.gz WLQCCVLDICUAER-OCCSQVGLSA-N 0 0 383.326 3.287 10 5 GGBERN COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@@H]1C[N@@+]4([O-])C[C@@H](C)[C@@H](C[C@@H]4[C@@]12C)C3=O ZINC000252584864 570287964 /nfs/dbraw/zinc/28/79/64/570287964.db2.gz DLTJWHRTAHFESH-CANGJGACSA-N 0 0 385.504 3.224 10 5 biogenic GGBERN CC(C)N(C(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000004839973 570312145 /nfs/dbraw/zinc/31/21/45/570312145.db2.gz QAYCMJMFSZNFEW-UHFFFAOYSA-N 0 0 391.468 3.387 10 5 GGBERN COc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000023386465 570322068 /nfs/dbraw/zinc/32/20/68/570322068.db2.gz GOXLGJBPWNJGTQ-NXEZZACHSA-N 0 0 376.331 3.463 10 5 GGBERN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)c1c[nH]c2ccccc21 ZINC000024886251 570325041 /nfs/dbraw/zinc/32/50/41/570325041.db2.gz DRKMULVEUFNSQR-SNVBAGLBSA-N 0 0 382.328 3.233 10 5 GGBERN CC(=O)c1ccc(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000006296592 570364113 /nfs/dbraw/zinc/36/41/13/570364113.db2.gz DBGHNGPKTZRROL-UHFFFAOYSA-N 0 0 384.461 3.316 10 5 GGBERN C[C@H](Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000100491828 570373334 /nfs/dbraw/zinc/37/33/34/570373334.db2.gz DSFKHWCXCVDYDL-QMMMGPOBSA-N 0 0 377.269 3.493 10 5 GGBERN Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4cccc([N+](=O)[O-])c4C)c3c2c1 ZINC000004961802 570383305 /nfs/dbraw/zinc/38/33/05/570383305.db2.gz FEGGLRMSBCEDTJ-UHFFFAOYSA-N 0 0 392.371 3.306 10 5 GGBERN COc1ccc(C(=O)n2nc(N)c3cc4ccc(C)cc4nc32)cc1[N+](=O)[O-] ZINC000004961906 570383380 /nfs/dbraw/zinc/38/33/80/570383380.db2.gz BCWQROSFYNUYLL-UHFFFAOYSA-N 0 0 377.360 3.080 10 5 GGBERN O=C(NC1(c2ccccc2)CCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000053472952 570425460 /nfs/dbraw/zinc/42/54/60/570425460.db2.gz BBNMWGQHEQDQKJ-UHFFFAOYSA-N 0 0 381.432 3.241 10 5 GGBERN O=C(NCCc1ccccc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035870203 570468442 /nfs/dbraw/zinc/46/84/42/570468442.db2.gz SULXZCQLNYMCJS-TZIWHRDSSA-N 0 0 379.460 3.485 10 5 GGBERN CC(C)C[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000006560790 570477832 /nfs/dbraw/zinc/47/78/32/570477832.db2.gz JXTRTBSBVXARRG-SFHVURJKSA-N 0 0 396.399 3.349 10 5 GGBERN COCCN(CCOC)C(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000006643779 570514607 /nfs/dbraw/zinc/51/46/07/570514607.db2.gz VMUGTXHDJVFHGG-UHFFFAOYSA-N 0 0 395.455 3.271 10 5 GGBERN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(F)cc1Cl ZINC000006652741 570519601 /nfs/dbraw/zinc/51/96/01/570519601.db2.gz AFUWWFLDYPRSKX-UHFFFAOYSA-N 0 0 391.742 3.012 10 5 GGBERN COc1ccccc1-c1noc([C@@H](C)Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)n1 ZINC000072307648 570524908 /nfs/dbraw/zinc/52/49/08/570524908.db2.gz FFLYHRBVJSQVST-SNVBAGLBSA-N 0 0 397.395 3.191 10 5 GGBERN COc1cccc(CN(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1OC ZINC000006753557 570570471 /nfs/dbraw/zinc/57/04/71/570570471.db2.gz CFHGAYKMFWHRNE-UHFFFAOYSA-N 0 0 393.827 3.336 10 5 GGBERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000032978714 570570557 /nfs/dbraw/zinc/57/05/57/570570557.db2.gz ZSYZMBGPEQQTAD-INIZCTEOSA-N 0 0 382.464 3.146 10 5 GGBERN Nc1nccc([C@@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000225415792 570571568 /nfs/dbraw/zinc/57/15/68/570571568.db2.gz LFGYHNQMSXNHPJ-CQSZACIVSA-N 0 0 396.476 3.470 10 5 GGBERN Nc1nccc([C@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000225415833 570571581 /nfs/dbraw/zinc/57/15/81/570571581.db2.gz LFGYHNQMSXNHPJ-AWEZNQCLSA-N 0 0 396.476 3.470 10 5 GGBERN COCCNC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000006775585 570584745 /nfs/dbraw/zinc/58/47/45/570584745.db2.gz BGZLGQCFMRCENW-UHFFFAOYSA-N 0 0 390.440 3.332 10 5 GGBERN CCCCn1c(N)c(-c2nc3ccccc3s2)c2c1c(=O)n(C)nc2[N+](=O)[O-] ZINC000005415340 570588505 /nfs/dbraw/zinc/58/85/05/570588505.db2.gz HOONCFCNSYAAPE-UHFFFAOYSA-N 0 0 398.448 3.302 10 5 GGBERN C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1ccco1 ZINC000005449636 570595618 /nfs/dbraw/zinc/59/56/18/570595618.db2.gz BQHIDEQGUPODAL-LBPRGKRZSA-N 0 0 384.344 3.310 10 5 GGBERN CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000005475651 570606848 /nfs/dbraw/zinc/60/68/48/570606848.db2.gz PRFWNMNELHFTSS-KRWDZBQOSA-N 0 0 394.474 3.430 10 5 GGBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3ccccc3)n2)cc1 ZINC000006810059 570614129 /nfs/dbraw/zinc/61/41/29/570614129.db2.gz HRMSLKBIKNPXPN-UHFFFAOYSA-N 0 0 390.359 3.147 10 5 GGBERN Cc1cc(C)cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 ZINC000006825791 570624911 /nfs/dbraw/zinc/62/49/11/570624911.db2.gz NYXLXNQLCAHRRL-UHFFFAOYSA-N 0 0 392.433 3.025 10 5 GGBERN Cc1ccccc1C(=O)N1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000005572191 570658192 /nfs/dbraw/zinc/65/81/92/570658192.db2.gz HNZIXDFZQHDUQP-UHFFFAOYSA-N 0 0 382.416 3.499 10 5 GGBERN CC1CCN([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000036067092 570667640 /nfs/dbraw/zinc/66/76/40/570667640.db2.gz GSNUGPKLNMXGPY-LJQANCHMSA-N 0 0 389.452 3.155 10 5 GGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2cccnc2)n(C)c1=S ZINC000036395925 570679571 /nfs/dbraw/zinc/67/95/71/570679571.db2.gz OSUMDYZAIQOMCZ-GFCCVEGCSA-N 0 0 382.449 3.330 10 5 GGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2cccnc2)n(C)c1=S ZINC000036395926 570679580 /nfs/dbraw/zinc/67/95/80/570679580.db2.gz OSUMDYZAIQOMCZ-LBPRGKRZSA-N 0 0 382.449 3.330 10 5 GGBERN CC(C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000034681489 570690398 /nfs/dbraw/zinc/69/03/98/570690398.db2.gz PVQXUHVENXNZQD-UHFFFAOYSA-N 0 0 397.479 3.297 10 5 GGBERN CC(C)CC(=O)Nc1ccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000034681488 570690419 /nfs/dbraw/zinc/69/04/19/570690419.db2.gz BLKRDSHDWGZKBW-UHFFFAOYSA-N 0 0 397.479 3.297 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000036410171 570696478 /nfs/dbraw/zinc/69/64/78/570696478.db2.gz DCYOIZABNOOFMO-LSDHHAIUSA-N 0 0 396.447 3.352 10 5 GGBERN COC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000004358631 570697266 /nfs/dbraw/zinc/69/72/66/570697266.db2.gz SDHDJVVHVUYUQE-GFCCVEGCSA-N 0 0 384.417 3.496 10 5 GGBERN COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000006940703 570714573 /nfs/dbraw/zinc/71/45/73/570714573.db2.gz ZVAVAQHTEZYSDP-LLVKDONJSA-N 0 0 399.856 3.305 10 5 GGBERN Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000025421545 570751121 /nfs/dbraw/zinc/75/11/21/570751121.db2.gz XIJNNINRRMFFHM-KRWDZBQOSA-N 0 0 397.431 3.450 10 5 GGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000025514807 570756878 /nfs/dbraw/zinc/75/68/78/570756878.db2.gz USPWFJXZYJSGPH-DNVCBOLYSA-N 0 0 384.436 3.178 10 5 GGBERN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nnc(-c2ccccc2)o1 ZINC000032739607 570785558 /nfs/dbraw/zinc/78/55/58/570785558.db2.gz LVIKDQCEIQLQNL-JTQLQIEISA-N 0 0 383.316 3.292 10 5 GGBERN O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000032752807 570791755 /nfs/dbraw/zinc/79/17/55/570791755.db2.gz IGDJWOVNPHRAHL-UHFFFAOYSA-N 0 0 384.783 3.489 10 5 GGBERN COc1ccc(C)cc1Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000005866886 570799052 /nfs/dbraw/zinc/79/90/52/570799052.db2.gz HZIFXWSNWUNAGJ-UHFFFAOYSA-N 0 0 391.449 3.440 10 5 GGBERN Cc1ccccc1[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000126462919 570800614 /nfs/dbraw/zinc/80/06/14/570800614.db2.gz UXQXPSYNGVHNMF-SKDZVZGDSA-N 0 0 397.406 3.068 10 5 GGBERN CN(C)Cc1nnc([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)o1 ZINC000583621973 570802388 /nfs/dbraw/zinc/80/23/88/570802388.db2.gz NFBAQBCGYILVFG-CQSZACIVSA-N 0 0 393.831 3.060 10 5 GGBERN Cc1cccc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]2C)c1 ZINC000005688798 570810276 /nfs/dbraw/zinc/81/02/76/570810276.db2.gz GQJXCCLTVHXPFI-HNNXBMFYSA-N 0 0 389.477 3.022 10 5 GGBERN Cc1nn(CC(=O)Nc2c3ccccc3nc3c2CCCC3)c(C)c1[N+](=O)[O-] ZINC000032801970 570820691 /nfs/dbraw/zinc/82/06/91/570820691.db2.gz GVHDFEOGOQOPAA-UHFFFAOYSA-N 0 0 379.420 3.474 10 5 GGBERN CC(=O)Nc1ccc(Nc2ccc(N3C(=O)C[C@@H](C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000101508368 570826067 /nfs/dbraw/zinc/82/60/67/570826067.db2.gz NAOHFGXHMSJODP-LLVKDONJSA-N 0 0 382.376 3.196 10 5 GGBERN COc1cc(CNc2ccc(N3C(=O)CCCC3=O)cc2[N+](=O)[O-])cc(OC)c1 ZINC000004684495 570830134 /nfs/dbraw/zinc/83/01/34/570830134.db2.gz HFMUZXADWPUVOW-UHFFFAOYSA-N 0 0 399.403 3.268 10 5 GGBERN COc1ccc(CCNc2ccc(N3C(=O)C[C@@H](C)C3=O)cc2[N+](=O)[O-])cc1 ZINC000004684287 570830382 /nfs/dbraw/zinc/83/03/82/570830382.db2.gz HAPPKEVIBKEIPT-CYBMUJFWSA-N 0 0 383.404 3.157 10 5 GGBERN COC(=O)c1cn(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c2ccccc12 ZINC000032818854 570831531 /nfs/dbraw/zinc/83/15/31/570831531.db2.gz GMKJWGGSNYSHCX-ZDUSSCGKSA-N 0 0 393.399 3.314 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007356481 570833245 /nfs/dbraw/zinc/83/32/45/570833245.db2.gz VSRQDZKQYUGSHL-INIZCTEOSA-N 0 0 398.463 3.063 10 5 GGBERN O=[N+]([O-])c1ccc(NCCO)c(NCc2cc(Cl)cc3c2OCOC3)c1 ZINC000032819356 570841159 /nfs/dbraw/zinc/84/11/59/570841159.db2.gz AWNUUAAGCNPLMI-UHFFFAOYSA-N 0 0 379.800 3.131 10 5 GGBERN COc1ccc(N2C(=O)C[C@@H](Nc3cccc(SC)c3)C2=O)c([N+](=O)[O-])c1 ZINC000102244945 570843788 /nfs/dbraw/zinc/84/37/88/570843788.db2.gz VGXWRPBLTWGUTF-CQSZACIVSA-N 0 0 387.417 3.069 10 5 GGBERN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1O ZINC000170593723 570851283 /nfs/dbraw/zinc/85/12/83/570851283.db2.gz SPTRGNAREHQUGU-UHFFFAOYSA-N 0 0 382.328 3.356 10 5 GGBERN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([O-])cc1[N+](=O)[O-] ZINC000170595801 570853491 /nfs/dbraw/zinc/85/34/91/570853491.db2.gz UCWQMZPNDOEVOK-QGZVFWFLSA-N 0 0 383.448 3.285 10 5 GGBERN O=[N+]([O-])c1c2nonc2c(NCc2ccccc2Cl)cc1NCCCO ZINC000004716624 570856552 /nfs/dbraw/zinc/85/65/52/570856552.db2.gz CGOSHFKDNBQPLG-UHFFFAOYSA-N 0 0 377.788 3.191 10 5 GGBERN CN(C)c1noc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n1 ZINC000170619634 570877016 /nfs/dbraw/zinc/87/70/16/570877016.db2.gz QQBHUESGYKFBHV-OAHLLOKOSA-N 0 0 380.408 3.447 10 5 GGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000170622606 570879815 /nfs/dbraw/zinc/87/98/15/570879815.db2.gz BFFHTSXKGZPBJU-KRWDZBQOSA-N 0 0 386.452 3.417 10 5 GGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000170622607 570880113 /nfs/dbraw/zinc/88/01/13/570880113.db2.gz BFFHTSXKGZPBJU-QGZVFWFLSA-N 0 0 386.452 3.417 10 5 GGBERN CC(C)c1nc(Sc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])n[nH]1 ZINC000022420426 570890669 /nfs/dbraw/zinc/89/06/69/570890669.db2.gz RYXNXGKILBJYCC-UHFFFAOYSA-N 0 0 399.498 3.064 10 5 GGBERN COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1nccc2ccccc21 ZINC000032901066 570897616 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CCCCN1CCc2ccc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000162589482 1424869846 /nfs/dbraw/zinc/86/98/46/1424869846.db2.gz DOMCLCYZKXSRHR-UHFFFAOYSA-N 0 0 396.447 3.012 10 5 GGBERN Cc1c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000170950013 1425411118 /nfs/dbraw/zinc/41/11/18/1425411118.db2.gz DTUQEEFDZMOPHF-AWEZNQCLSA-N 0 0 377.441 3.280 10 5 GGBERN Cc1cccc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000170950490 1425411878 /nfs/dbraw/zinc/41/18/78/1425411878.db2.gz AOEWOWMBWSJDSZ-AWEZNQCLSA-N 0 0 377.441 3.280 10 5 GGBERN CCc1nc(COc2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)no1 ZINC000172054050 1425883393 /nfs/dbraw/zinc/88/33/93/1425883393.db2.gz GAKSMMFAUGPWRX-UHFFFAOYSA-N 0 0 382.376 3.396 10 5 GGBERN O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172710542 1426154144 /nfs/dbraw/zinc/15/41/44/1426154144.db2.gz HVSDRVOWPZRUPI-HUUCEWRRSA-N 0 0 387.386 3.325 10 5 GGBERN O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172710548 1426154915 /nfs/dbraw/zinc/15/49/15/1426154915.db2.gz HVSDRVOWPZRUPI-CABCVRRESA-N 0 0 387.386 3.325 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000173231860 1426417982 /nfs/dbraw/zinc/41/79/82/1426417982.db2.gz BQCZYRVBMBJRAD-CQSZACIVSA-N 0 0 386.433 3.128 10 5 GGBERN COc1cccc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194083848 1433113862 /nfs/dbraw/zinc/11/38/62/1433113862.db2.gz HIHAQUJRVUMCOF-KBPBESRZSA-N 0 0 385.420 3.469 10 5 GGBERN COc1cccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194083830 1433114034 /nfs/dbraw/zinc/11/40/34/1433114034.db2.gz HIHAQUJRVUMCOF-OKILXGFUSA-N 0 0 385.420 3.469 10 5 GGBERN C[C@H](NC(=O)NCc1cnn(Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000194489105 1433186302 /nfs/dbraw/zinc/18/63/02/1433186302.db2.gz FHDCVNDETBFZFX-HNNXBMFYSA-N 0 0 379.420 3.400 10 5 GGBERN O=c1c(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)sc2nc3ccccc3n12 ZINC000252676092 1433864169 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390.308 3.497 10 5 GGBERN O=[N+]([O-])c1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001659942748 1126263772 /nfs/dbraw/zinc/26/37/72/1126263772.db2.gz BMJLIIDTGPNJHE-ZBFHGGJFSA-N 0 0 399.325 3.127 10 5 GGBERN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000002640955 230826622 /nfs/dbraw/zinc/82/66/22/230826622.db2.gz ZQJVMXHXUCYYHU-SFHVURJKSA-N 0 0 394.383 3.272 10 5 GGBERN CO[C@@H]1CCCN(c2nc(N3CCC[C@H](OC)CC3)c([N+](=O)[O-])s2)CC1 ZINC000359901120 203801350 /nfs/dbraw/zinc/80/13/50/203801350.db2.gz QTPADYMEVQYVAI-UONOGXRCSA-N 0 0 384.502 3.062 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1-c1ccn(S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000001037730 203874987 /nfs/dbraw/zinc/87/49/87/203874987.db2.gz ZWZVRBJXLIIOIO-UHFFFAOYSA-N 0 0 393.808 3.357 10 5 GGBERN O=C(Oc1cc(=O)oc2c3cccc4c3n(c(=O)c12)CC4)c1ccc(F)cc1 ZINC000001036074 203875946 /nfs/dbraw/zinc/87/59/46/203875946.db2.gz NAHCSNQACRQWGB-UHFFFAOYSA-N 0 0 377.327 3.022 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)c2cnc(NC3=NCCCCC3)s2)cc1 ZINC000003205971 203989454 /nfs/dbraw/zinc/98/94/54/203989454.db2.gz YBYDSOFTJWTXHB-UHFFFAOYSA-N 0 0 380.451 3.269 10 5 GGBERN Cc1ccc(-n2c(=O)c3sccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000002466726 203946363 /nfs/dbraw/zinc/94/63/63/203946363.db2.gz XXXJMNNVCVLBRO-UHFFFAOYSA-N 0 0 393.424 3.479 10 5 GGBERN COc1ccccc1[C@H]1SCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002472857 203946798 /nfs/dbraw/zinc/94/67/98/203946798.db2.gz CPUZSOMPQKXKJD-MRXNPFEDSA-N 0 0 380.447 3.040 10 5 GGBERN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000004329118 204039578 /nfs/dbraw/zinc/03/95/78/204039578.db2.gz FPYMEWAIIHFNSK-UHFFFAOYSA-N 0 0 387.392 3.155 10 5 GGBERN Cc1cc2oc(=O)cc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2cc1Cl ZINC000003350401 204000810 /nfs/dbraw/zinc/00/08/10/204000810.db2.gz QVDXBQLACVBXOI-UHFFFAOYSA-N 0 0 398.758 3.459 10 5 GGBERN COc1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OC ZINC000003361579 204001182 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COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OC(=O)c1cccnc1 ZINC000006180764 204169589 /nfs/dbraw/zinc/16/95/89/204169589.db2.gz NSOJWEONYBJXTM-GQCTYLIASA-N 0 0 379.166 3.319 10 5 GGBERN COc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000005661642 204144421 /nfs/dbraw/zinc/14/44/21/204144421.db2.gz NAKNIWFAIGEWPC-UHFFFAOYSA-N 0 0 381.182 3.383 10 5 GGBERN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000005673930 204145959 /nfs/dbraw/zinc/14/59/59/204145959.db2.gz KMOACSBVYIUFDG-LBPRGKRZSA-N 0 0 388.376 3.145 10 5 GGBERN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000005673922 204146015 /nfs/dbraw/zinc/14/60/15/204146015.db2.gz KMOACSBVYIUFDG-GFCCVEGCSA-N 0 0 388.376 3.145 10 5 GGBERN COCCNC(=O)c1nn(C(C)(C)C)c(Oc2ccccc2[N+](=O)[O-])c1C ZINC000006775694 204203625 /nfs/dbraw/zinc/20/36/25/204203625.db2.gz IQZYYWMPXZMDTR-UHFFFAOYSA-N 0 0 376.413 3.023 10 5 GGBERN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006861851 204215783 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ZINC000007977056 204256375 /nfs/dbraw/zinc/25/63/75/204256375.db2.gz CYAWTJFLJLHIMM-UHFFFAOYSA-N 0 0 395.362 3.275 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000008725563 204285382 /nfs/dbraw/zinc/28/53/82/204285382.db2.gz BHTVTXLAAHYQPV-MRXNPFEDSA-N 0 0 386.433 3.305 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000008725564 204285651 /nfs/dbraw/zinc/28/56/51/204285651.db2.gz BHTVTXLAAHYQPV-INIZCTEOSA-N 0 0 386.433 3.305 10 5 GGBERN O=C(CSc1nnc(CC2CCCC2)[nH]1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000008752510 204289153 /nfs/dbraw/zinc/28/91/53/204289153.db2.gz OQEJUJSOECALRQ-UHFFFAOYSA-N 0 0 379.417 3.316 10 5 GGBERN CN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000008883594 204293213 /nfs/dbraw/zinc/29/32/13/204293213.db2.gz QITIKAPUGZMDCQ-UHFFFAOYSA-N 0 0 377.784 3.047 10 5 GGBERN CC[C@@H](Oc1ccccc1)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000008921781 204294105 /nfs/dbraw/zinc/29/41/05/204294105.db2.gz 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COc1ccc(OC)c(NC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000009156281 204301406 /nfs/dbraw/zinc/30/14/06/204301406.db2.gz CYOOCUOVGFVGBK-ZZXKWVIFSA-N 0 0 386.360 3.130 10 5 GGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCNC(=O)Nc1ccccc1 ZINC000010855223 204339614 /nfs/dbraw/zinc/33/96/14/204339614.db2.gz HXYSIKOQKULBHY-UHFFFAOYSA-N 0 0 390.827 3.418 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)o1 ZINC000009634960 204318444 /nfs/dbraw/zinc/31/84/44/204318444.db2.gz FVRKGSXQLXIHIB-VIFPVBQESA-N 0 0 390.377 3.366 10 5 GGBERN Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000010226057 204331904 /nfs/dbraw/zinc/33/19/04/204331904.db2.gz AAVPRVWZAPZGHI-UHFFFAOYSA-N 0 0 391.427 3.445 10 5 GGBERN COC(=O)C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000010738778 204337847 /nfs/dbraw/zinc/33/78/47/204337847.db2.gz VBAONSCRGDQBKR-QGZVFWFLSA-N 0 0 397.431 3.229 10 5 GGBERN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000010684140 204338742 /nfs/dbraw/zinc/33/87/42/204338742.db2.gz NWQPRLYVTGJIJP-LLVKDONJSA-N 0 0 386.364 3.284 10 5 GGBERN CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009136808 204300074 /nfs/dbraw/zinc/30/00/74/204300074.db2.gz ZAIAIEOQJQXVRS-UHFFFAOYSA-N 0 0 392.418 3.252 10 5 GGBERN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1 ZINC000009114119 204300211 /nfs/dbraw/zinc/30/02/11/204300211.db2.gz CZNLTLHCZIHHBB-UHFFFAOYSA-N 0 0 375.388 3.105 10 5 GGBERN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000009156036 204300660 /nfs/dbraw/zinc/30/06/60/204300660.db2.gz LPCHAMIIUOFQKK-CQSZACIVSA-N 0 0 393.440 3.415 10 5 GGBERN CCOc1cc2c(cc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000011453594 204346987 /nfs/dbraw/zinc/34/69/87/204346987.db2.gz SFTJRNPRSAJQKB-NSHDSACASA-N 0 0 390.367 3.474 10 5 GGBERN COc1ccc(OC[C@H](O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011148933 204342683 /nfs/dbraw/zinc/34/26/83/204342683.db2.gz YEUKQCHGMLTGHT-OAHLLOKOSA-N 0 0 380.828 3.129 10 5 GGBERN Cc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n(C[C@H]2CCCO2)c1C ZINC000012519956 204416679 /nfs/dbraw/zinc/41/66/79/204416679.db2.gz HSANTVYPXYQJQQ-MRXNPFEDSA-N 0 0 390.465 3.318 10 5 GGBERN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000012634425 204432212 /nfs/dbraw/zinc/43/22/12/204432212.db2.gz JGMSZKKDSPIVAG-UHFFFAOYSA-N 0 0 399.491 3.378 10 5 GGBERN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012913873 204463933 /nfs/dbraw/zinc/46/39/33/204463933.db2.gz QNWZGUIUVPWUFA-UHFFFAOYSA-N 0 0 390.827 3.418 10 5 GGBERN COc1ccc(O)c(C(=O)c2cc(Cl)c3nc4ccccc4c(=O)n3c2)c1 ZINC000014093446 204521575 /nfs/dbraw/zinc/52/15/75/204521575.db2.gz ZACBNABKWWBLQC-UHFFFAOYSA-N 0 0 380.787 3.446 10 5 GGBERN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000014483383 204533954 /nfs/dbraw/zinc/53/39/54/204533954.db2.gz INKAEVSWFUEEJD-ZDUSSCGKSA-N 0 0 383.404 3.415 10 5 GGBERN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000015868246 204583224 /nfs/dbraw/zinc/58/32/24/204583224.db2.gz KBBCTEJOWBQNOD-CYBMUJFWSA-N 0 0 388.387 3.439 10 5 GGBERN O=C(COC(=O)c1c(F)cccc1F)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000016748075 204600932 /nfs/dbraw/zinc/60/09/32/204600932.db2.gz NIFFOCRAWMHUNJ-UHFFFAOYSA-N 0 0 376.315 3.009 10 5 GGBERN Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cccc1[N+](=O)[O-] ZINC000019309315 204636398 /nfs/dbraw/zinc/63/63/98/204636398.db2.gz ZVKYQGFLAGGMCY-UHFFFAOYSA-N 0 0 394.353 3.279 10 5 GGBERN Cc1cccc(C(=O)N[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)c1 ZINC000024974896 204827787 /nfs/dbraw/zinc/82/77/87/204827787.db2.gz PIJBNYWGNLNUEZ-IBGZPJMESA-N 0 0 381.432 3.247 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000025907822 204835650 /nfs/dbraw/zinc/83/56/50/204835650.db2.gz IUKNJUYXSYCMAB-WDEREUQCSA-N 0 0 375.347 3.253 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000025832631 204835736 /nfs/dbraw/zinc/83/57/36/204835736.db2.gz GLAUZOOMCTUCCT-AWEZNQCLSA-N 0 0 385.420 3.260 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000025830420 204836207 /nfs/dbraw/zinc/83/62/07/204836207.db2.gz IOZCGTBTWGXAGK-OAHLLOKOSA-N 0 0 392.415 3.033 10 5 GGBERN O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCOCC1)/C(=C\COc1ccc(F)cc1)O2 ZINC000033143553 204947922 /nfs/dbraw/zinc/94/79/22/204947922.db2.gz KMVDMQZVRNHJDE-LFYPLSJUSA-N 0 0 386.379 3.463 10 5 GGBERN O=C(Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1)NC1CCCCC1 ZINC000036620977 205020412 /nfs/dbraw/zinc/02/04/12/205020412.db2.gz MBZKZRZIUVCJFM-UHFFFAOYSA-N 0 0 394.435 3.093 10 5 GGBERN Cc1cc(Cl)ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1=O ZINC000037276049 205024763 /nfs/dbraw/zinc/02/47/63/205024763.db2.gz KPNIJZSUVQCIMY-CYBMUJFWSA-N 0 0 387.823 3.434 10 5 GGBERN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040080050 205049420 /nfs/dbraw/zinc/04/94/20/205049420.db2.gz XLPFBHUHSPWGOQ-NSHDSACASA-N 0 0 381.392 3.252 10 5 GGBERN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040080048 205049980 /nfs/dbraw/zinc/04/99/80/205049980.db2.gz XLPFBHUHSPWGOQ-LLVKDONJSA-N 0 0 381.392 3.252 10 5 GGBERN Cc1c(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cccc1[N+](=O)[O-] ZINC000040082506 205050122 /nfs/dbraw/zinc/05/01/22/205050122.db2.gz VGICMACNGHULJT-UHFFFAOYSA-N 0 0 393.399 3.248 10 5 GGBERN CCOC(=O)c1cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2oc1=O ZINC000040883999 205074802 /nfs/dbraw/zinc/07/48/02/205074802.db2.gz NBQUBGDGDRUTHE-UHFFFAOYSA-N 0 0 383.312 3.097 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000056345613 205151392 /nfs/dbraw/zinc/15/13/92/205151392.db2.gz FTUIHPXAHVMEOK-SFHVURJKSA-N 0 0 382.420 3.470 10 5 GGBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)c1cc(Cl)ccc1Cl ZINC000051264980 205132195 /nfs/dbraw/zinc/13/21/95/205132195.db2.gz CJFTXOXBKNARBY-HNNXBMFYSA-N 0 0 380.187 3.345 10 5 GGBERN C[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000058061532 205162079 /nfs/dbraw/zinc/16/20/79/205162079.db2.gz NQIQQHKABKOVDP-GFCCVEGCSA-N 0 0 376.376 3.166 10 5 GGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000058108638 205164465 /nfs/dbraw/zinc/16/44/65/205164465.db2.gz UQRHVROBSBQFSL-WMLDXEAASA-N 0 0 391.493 3.079 10 5 GGBERN Cc1cc(NCCc2nnc3ccccn32)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058144659 205165039 /nfs/dbraw/zinc/16/50/39/205165039.db2.gz XUOBAOYQWOCWIB-UHFFFAOYSA-N 0 0 375.392 3.058 10 5 GGBERN CCN(C(=O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C ZINC000058265123 205172030 /nfs/dbraw/zinc/17/20/30/205172030.db2.gz LOSMILQUFCAUQY-UHFFFAOYSA-N 0 0 376.434 3.038 10 5 GGBERN Cc1cc(C)c2c(OCC(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)nn(C)c2n1 ZINC000058307391 205172199 /nfs/dbraw/zinc/17/21/99/205172199.db2.gz ZKEHVQZLWITMKQ-AWEZNQCLSA-N 0 0 397.435 3.092 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCCSCC1 ZINC000058406707 205175317 /nfs/dbraw/zinc/17/53/17/205175317.db2.gz AZZIVDQBYXGUPW-UHFFFAOYSA-N 0 0 399.538 3.103 10 5 GGBERN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@@H]1CC1[N+](=O)[O-] ZINC000065550088 205238232 /nfs/dbraw/zinc/23/82/32/205238232.db2.gz AUOHDGYPOJVBSW-OLZOCXBDSA-N 0 0 378.182 3.240 10 5 GGBERN Cc1ccc(Sc2ccc(C(=O)N3CCNC(=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000065903384 205238788 /nfs/dbraw/zinc/23/87/88/205238788.db2.gz RYHHANHUFSBNAP-UHFFFAOYSA-N 0 0 385.445 3.017 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(Oc2cccc3n[nH]cc32)c([N+](=O)[O-])c1 ZINC000069967124 205277879 /nfs/dbraw/zinc/27/78/79/205277879.db2.gz SJQAYNUMQXSQTL-UHFFFAOYSA-N 0 0 390.421 3.294 10 5 GGBERN CCCCN(C(=O)[C@H]1CC1[N+](=O)[O-])c1cccc(I)c1 ZINC000084744411 205399840 /nfs/dbraw/zinc/39/98/40/205399840.db2.gz VSLABSPYEUKNPL-STQMWFEESA-N 0 0 388.205 3.090 10 5 GGBERN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095087505 205437834 /nfs/dbraw/zinc/43/78/34/205437834.db2.gz XLFIWWXMDUNNHB-LBPRGKRZSA-N 0 0 376.413 3.477 10 5 GGBERN CC(C)(C)OC(=O)N1CC[C@@H]([S@@](=O)c2nc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000095083437 205438245 /nfs/dbraw/zinc/43/82/45/205438245.db2.gz USCOONKEOIVKRM-QYOLQKOISA-N 0 0 397.478 3.322 10 5 GGBERN Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000095454070 205460138 /nfs/dbraw/zinc/46/01/38/205460138.db2.gz OVXUYJWLCZMJKU-QAPCUYQASA-N 0 0 387.823 3.258 10 5 GGBERN CC(C)c1ccc2c(c1)[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)N2 ZINC000096011924 205515025 /nfs/dbraw/zinc/51/50/25/205515025.db2.gz TWYFVSNANRJXSN-IBGZPJMESA-N 0 0 382.420 3.330 10 5 GGBERN Nc1nccc(Oc2cc(F)c([N+](=O)[O-])cc2F)c1I ZINC000098177798 205602150 /nfs/dbraw/zinc/60/21/50/205602150.db2.gz SXICRIWEINJGAA-UHFFFAOYSA-N 0 0 393.087 3.247 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000134367277 205692920 /nfs/dbraw/zinc/69/29/20/205692920.db2.gz CZKMBSLVWFWJJP-KKSFZXQISA-N 0 0 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C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccc2c(c1)OCCO2 ZINC000225748235 206072527 /nfs/dbraw/zinc/07/25/27/206072527.db2.gz WPZCIUOCGDEOHJ-LLVKDONJSA-N 0 0 389.383 3.062 10 5 GGBERN CCC(=O)c1ccc(N(CCNC(C)=O)C2CCSCC2)c([N+](=O)[O-])c1 ZINC000225778779 206075743 /nfs/dbraw/zinc/07/57/43/206075743.db2.gz KRIGRZXZCOJJLT-UHFFFAOYSA-N 0 0 379.482 3.026 10 5 GGBERN CCOc1ccccc1N1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000033288692 206096119 /nfs/dbraw/zinc/09/61/19/206096119.db2.gz IRKUYQXRVRPUOQ-KHPPLWFESA-N 0 0 381.432 3.356 10 5 GGBERN Cc1ccccc1[C@@H]1C[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000230216381 206111405 /nfs/dbraw/zinc/11/14/05/206111405.db2.gz UXQXPSYNGVHNMF-OWQGQXMQSA-N 0 0 397.406 3.068 10 5 GGBERN Cc1cccn2cc(COC(=O)/C=C/c3cc4c(cc3[N+](=O)[O-])OCO4)nc12 ZINC000010376283 221102683 /nfs/dbraw/zinc/10/26/83/221102683.db2.gz VPFTXEASOIFXEU-SNAWJCMRSA-N 0 0 381.344 3.036 10 5 GGBERN O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 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/nfs/dbraw/zinc/27/52/40/564275240.db2.gz LYIQRQUVLTYYSI-UHFFFAOYSA-N 0 0 384.841 3.256 10 5 GGBERN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Br ZINC000119679678 564283102 /nfs/dbraw/zinc/28/31/02/564283102.db2.gz ZTOHFPURGINWSX-JTQLQIEISA-N 0 0 378.226 3.307 10 5 GGBERN O=[N+]([O-])c1cccc(CNCc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000119730367 564285763 /nfs/dbraw/zinc/28/57/63/564285763.db2.gz UXHVQIABWJVKSA-UHFFFAOYSA-N 0 0 388.225 3.432 10 5 GGBERN C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000016017878 564290930 /nfs/dbraw/zinc/29/09/30/564290930.db2.gz HCAMUWHPCWIWNX-SNVBAGLBSA-N 0 0 382.825 3.143 10 5 GGBERN O=C(Nc1ccccc1)C(=S)NCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000020523190 564307036 /nfs/dbraw/zinc/30/70/36/564307036.db2.gz RTSVJGSVSGDMHP-UHFFFAOYSA-N 0 0 378.841 3.216 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Br ZINC000021631726 564312220 /nfs/dbraw/zinc/31/22/20/564312220.db2.gz UEJVUKWDNXRBMD-UHFFFAOYSA-N 0 0 387.211 3.167 10 5 GGBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1nccs1 ZINC000025966480 564342710 /nfs/dbraw/zinc/34/27/10/564342710.db2.gz PLJYJXQQGWWKNZ-LBPRGKRZSA-N 0 0 382.829 3.098 10 5 GGBERN Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000026830569 564349608 /nfs/dbraw/zinc/34/96/08/564349608.db2.gz OBJWFHHGECKOOF-UHFFFAOYSA-N 0 0 399.266 3.486 10 5 GGBERN C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000121391241 564366440 /nfs/dbraw/zinc/36/64/40/564366440.db2.gz UKBNXXAILRXHJE-BXKDBHETSA-N 0 0 378.372 3.389 10 5 GGBERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)c1 ZINC000121513467 564372372 /nfs/dbraw/zinc/37/23/72/564372372.db2.gz ZRUISWFHPHAPNN-ZDUSSCGKSA-N 0 0 393.241 3.340 10 5 GGBERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)c1 ZINC000121513307 564373017 /nfs/dbraw/zinc/37/30/17/564373017.db2.gz ZRUISWFHPHAPNN-CYBMUJFWSA-N 0 0 393.241 3.340 10 5 GGBERN O=[N+]([O-])c1ccccc1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000030200883 564377119 /nfs/dbraw/zinc/37/71/19/564377119.db2.gz SKTGZGAWDGQGPC-UHFFFAOYSA-N 0 0 377.242 3.075 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000030365947 564379516 /nfs/dbraw/zinc/37/95/16/564379516.db2.gz NLWNGZLMXFMBNE-NSHDSACASA-N 0 0 382.463 3.365 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000030365950 564379814 /nfs/dbraw/zinc/37/98/14/564379814.db2.gz NLWNGZLMXFMBNE-LLVKDONJSA-N 0 0 382.463 3.365 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000030379451 564379958 /nfs/dbraw/zinc/37/99/58/564379958.db2.gz UXKNDCKSRLUGNY-VIFPVBQESA-N 0 0 384.797 3.016 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccsc3C2)c(C(F)(F)F)c1 ZINC000121715334 564382740 /nfs/dbraw/zinc/38/27/40/564382740.db2.gz XXBKLIMJBKGYST-UHFFFAOYSA-N 0 0 392.380 3.422 10 5 GGBERN Cc1sc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000032294492 564396545 /nfs/dbraw/zinc/39/65/45/564396545.db2.gz RLTALKAOXDSUHG-UHFFFAOYSA-N 0 0 375.328 3.231 10 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Cc1sc(S(=O)(=O)N(C)Cc2nc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000124993407 564500164 /nfs/dbraw/zinc/50/01/64/564500164.db2.gz QYHHDFFCFQCEIN-UHFFFAOYSA-N 0 0 387.508 3.121 10 5 GGBERN CNS(=O)(=O)c1ccc(N[C@H](C)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000046484816 564502397 /nfs/dbraw/zinc/50/23/97/564502397.db2.gz DVFNATKIXSCGII-MRVPVSSYSA-N 0 0 375.859 3.391 10 5 GGBERN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc(Br)c1 ZINC000046835968 564508764 /nfs/dbraw/zinc/50/87/64/564508764.db2.gz XIUBIUUUQZNTJP-HNNXBMFYSA-N 0 0 395.253 3.229 10 5 GGBERN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc(Br)c1 ZINC000046835969 564509075 /nfs/dbraw/zinc/50/90/75/564509075.db2.gz XIUBIUUUQZNTJP-OAHLLOKOSA-N 0 0 395.253 3.229 10 5 GGBERN COCCC1(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CCC1 ZINC000125346396 564512149 /nfs/dbraw/zinc/51/21/49/564512149.db2.gz AHSDGRADUAGWNE-UHFFFAOYSA-N 0 0 376.862 3.042 10 5 GGBERN O=c1c2ccccc2nc(SCc2csc([N+](=O)[O-])c2)n1CCCO ZINC000047171655 564514157 /nfs/dbraw/zinc/51/41/57/564514157.db2.gz JVBZZNMGRINZAO-UHFFFAOYSA-N 0 0 377.447 3.041 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1I ZINC000047835341 564526957 /nfs/dbraw/zinc/52/69/57/564526957.db2.gz KUBIVXXTYYCOSR-UHFFFAOYSA-N 0 0 383.145 3.155 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000126136570 564537981 /nfs/dbraw/zinc/53/79/81/564537981.db2.gz BDXALBLKNCRSEU-UHFFFAOYSA-N 0 0 384.841 3.134 10 5 GGBERN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000048808833 564546819 /nfs/dbraw/zinc/54/68/19/564546819.db2.gz VXTKSNRMTDJOAO-JTQLQIEISA-N 0 0 392.209 3.173 10 5 GGBERN O=C(CN1CCO[C@H](c2ccsc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126678538 564558390 /nfs/dbraw/zinc/55/83/90/564558390.db2.gz IUNXFAXTXCJHHJ-HNNXBMFYSA-N 0 0 381.841 3.322 10 5 GGBERN Cc1c(CN2CCN(c3ccc(Br)cn3)CC2)cccc1[N+](=O)[O-] ZINC000051537001 564566047 /nfs/dbraw/zinc/56/60/47/564566047.db2.gz NIJOYKCMZAMGBJ-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN Cc1cccc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000052473120 564572375 /nfs/dbraw/zinc/57/23/75/564572375.db2.gz RFQCQHXYUIJANN-UHFFFAOYSA-N 0 0 375.328 3.204 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1=O ZINC000127214401 564576785 /nfs/dbraw/zinc/57/67/85/564576785.db2.gz OJOORQSQUNLIAU-SNVBAGLBSA-N 0 0 384.219 3.249 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000127460063 564584677 /nfs/dbraw/zinc/58/46/77/564584677.db2.gz ORAPDCRJRVRXGP-HNNXBMFYSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)cc1C ZINC000127506671 564586423 /nfs/dbraw/zinc/58/64/23/564586423.db2.gz ZCOPDUWMSBZOQX-OAHLLOKOSA-N 0 0 382.463 3.035 10 5 GGBERN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ncc(-c2cccc(F)c2)o1 ZINC000127573556 564588568 /nfs/dbraw/zinc/58/85/68/564588568.db2.gz NSYXVKDTJQOZDB-UHFFFAOYSA-N 0 0 394.156 3.361 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127693049 564592743 /nfs/dbraw/zinc/59/27/43/564592743.db2.gz UPUVRTJNKFXISE-BZNIZROVSA-N 0 0 383.242 3.125 10 5 GGBERN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCS1(=O)=O ZINC000127816706 564596789 /nfs/dbraw/zinc/59/67/89/564596789.db2.gz BVPRIXMGAZOIRP-LLVKDONJSA-N 0 0 384.841 3.127 10 5 GGBERN Cc1cc(C[C@@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000127872312 564599279 /nfs/dbraw/zinc/59/92/79/564599279.db2.gz CVDWBDGOQVGXSJ-MRVPVSSYSA-N 0 0 381.230 3.058 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(SCc2csc([N+](=O)[O-])c2)nc1 ZINC000054449603 564604377 /nfs/dbraw/zinc/60/43/77/564604377.db2.gz WZXKROSCPCFSLP-UHFFFAOYSA-N 0 0 387.508 3.374 10 5 GGBERN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000128950318 564633837 /nfs/dbraw/zinc/63/38/37/564633837.db2.gz BIZUNGUABIRNRK-LKFCYVNXSA-N 0 0 390.870 3.364 10 5 GGBERN O=C(COc1ccccc1[N+](=O)[O-])NCc1cc(F)cc(Br)c1 ZINC000055972781 564636189 /nfs/dbraw/zinc/63/61/89/564636189.db2.gz AJWMYQONZRYBOL-UHFFFAOYSA-N 0 0 383.173 3.192 10 5 GGBERN Cc1ccsc1-c1nsc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000129057079 564636664 /nfs/dbraw/zinc/63/66/64/564636664.db2.gz ICVUYAPDJJMXEX-UHFFFAOYSA-N 0 0 382.448 3.284 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000056126807 564642200 /nfs/dbraw/zinc/64/22/00/564642200.db2.gz ANHMILYCNUADNU-HNNXBMFYSA-N 0 0 382.825 3.010 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1COc2ccccc21 ZINC000129301101 564644589 /nfs/dbraw/zinc/64/45/89/564644589.db2.gz BECVGVKSFPUFEP-AWEZNQCLSA-N 0 0 377.194 3.150 10 5 GGBERN O=C1Nc2ccccc2[C@H]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000129309383 564645540 /nfs/dbraw/zinc/64/55/40/564645540.db2.gz XPSGEWYNDVWATD-LLVKDONJSA-N 0 0 377.198 3.290 10 5 GGBERN Cc1ccc(Oc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c(Br)n1 ZINC000130106465 564669619 /nfs/dbraw/zinc/66/96/19/564669619.db2.gz BTKQJJIEWQGNOT-UHFFFAOYSA-N 0 0 393.240 3.318 10 5 GGBERN CCOC(=O)c1ccnc(Oc2ccc(C)nc2Br)c1[N+](=O)[O-] ZINC000130130355 564670911 /nfs/dbraw/zinc/67/09/11/564670911.db2.gz SICQNRMNGYPTRB-UHFFFAOYSA-N 0 0 382.170 3.425 10 5 GGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000130445166 564681381 /nfs/dbraw/zinc/68/13/81/564681381.db2.gz LOBBZUYFRLWAMC-VIFPVBQESA-N 0 0 386.499 3.493 10 5 GGBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccc(Br)s1 ZINC000130854188 564694754 /nfs/dbraw/zinc/69/47/54/564694754.db2.gz KDLBFPIVHZIFQB-UHFFFAOYSA-N 0 0 382.195 3.284 10 5 GGBERN CN(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245234 564726957 /nfs/dbraw/zinc/72/69/57/564726957.db2.gz NESQSPNKRSVFIQ-UHFFFAOYSA-N 0 0 396.368 3.376 10 5 GGBERN CN(C[C@H]1CCCO1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000131939419 564728821 /nfs/dbraw/zinc/72/88/21/564728821.db2.gz WBOGRABDCRYETN-SECBINFHSA-N 0 0 377.622 3.262 10 5 GGBERN CC(C)c1ccc(NC(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1 ZINC000132436685 564743879 /nfs/dbraw/zinc/74/38/79/564743879.db2.gz MDJLZONDQVZCBT-UHFFFAOYSA-N 0 0 394.225 3.281 10 5 GGBERN O=c1c(Br)cn(Cc2coc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000132486994 564744651 /nfs/dbraw/zinc/74/46/51/564744651.db2.gz IYVHJSDOCVZYDO-UHFFFAOYSA-N 0 0 394.156 3.361 10 5 GGBERN CCn1c2ccc(F)cc2nc1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000132610685 564747800 /nfs/dbraw/zinc/74/78/00/564747800.db2.gz URFPZDXQQPASHR-UHFFFAOYSA-N 0 0 395.188 3.076 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(OCC(F)(F)F)c2)s1 ZINC000066000572 564753503 /nfs/dbraw/zinc/75/35/03/564753503.db2.gz GTUAYEAQCXUOHS-UHFFFAOYSA-N 0 0 396.368 3.076 10 5 GGBERN Cc1cc(Cl)ccc1OCCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001690 564753557 /nfs/dbraw/zinc/75/35/57/564753557.db2.gz AYAYHVYUPAKVPJ-UHFFFAOYSA-N 0 0 390.870 3.366 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(OC(F)F)c1 ZINC000066333490 564762239 /nfs/dbraw/zinc/76/22/39/564762239.db2.gz SBZYWGFNWIAKFX-QMMMGPOBSA-N 0 0 378.378 3.297 10 5 GGBERN COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327489 564762256 /nfs/dbraw/zinc/76/22/56/564762256.db2.gz YCRRNLDPAQKZFX-UHFFFAOYSA-N 0 0 376.843 3.139 10 5 GGBERN CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066333644 564762568 /nfs/dbraw/zinc/76/25/68/564762568.db2.gz RDDFFNRAEGNFMF-UHFFFAOYSA-N 0 0 380.369 3.496 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)s1 ZINC000066327389 564762647 /nfs/dbraw/zinc/76/26/47/564762647.db2.gz RFQKTUQHNGLIHC-MRXNPFEDSA-N 0 0 375.431 3.119 10 5 GGBERN Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000133114363 564763953 /nfs/dbraw/zinc/76/39/53/564763953.db2.gz XPZLXINRYJNJTA-VHSXEESVSA-N 0 0 384.351 3.442 10 5 GGBERN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1CC(F)F ZINC000133305289 564769332 /nfs/dbraw/zinc/76/93/32/564769332.db2.gz XWLYGNVGDMJHJX-SNVBAGLBSA-N 0 0 376.791 3.441 10 5 GGBERN Cc1ccc(CN(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000066568947 564769498 /nfs/dbraw/zinc/76/94/98/564769498.db2.gz JZNLDGRPOWAKNY-UHFFFAOYSA-N 0 0 389.227 3.079 10 5 GGBERN Cc1ccc([C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCO2)o1 ZINC000133456886 564774967 /nfs/dbraw/zinc/77/49/67/564774967.db2.gz WWQQCESNBKWYDY-OAHLLOKOSA-N 0 0 395.209 3.472 10 5 GGBERN CC1(C)CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066937368 564779670 /nfs/dbraw/zinc/77/96/70/564779670.db2.gz IEPCDYRZKDWERT-ZDUSSCGKSA-N 0 0 382.463 3.197 10 5 GGBERN CN(Cc1ccccc1Br)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134175699 564795051 /nfs/dbraw/zinc/79/50/51/564795051.db2.gz DLPHRUSADXJBJK-UHFFFAOYSA-N 0 0 399.266 3.319 10 5 GGBERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134814778 564816203 /nfs/dbraw/zinc/81/62/03/564816203.db2.gz DSCKCWBVGSUROV-LBPRGKRZSA-N 0 0 381.219 3.305 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135778118 564840388 /nfs/dbraw/zinc/84/03/88/564840388.db2.gz BNTMRMWCCWBMDL-CYBMUJFWSA-N 0 0 392.209 3.046 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCN(Cc2cscn2)CC1 ZINC000136874702 564856767 /nfs/dbraw/zinc/85/67/67/564856767.db2.gz FRTJNQCCFJAFEH-UHFFFAOYSA-N 0 0 380.857 3.053 10 5 GGBERN O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000084335138 564869033 /nfs/dbraw/zinc/86/90/33/564869033.db2.gz SWQMUIFVPKMVBN-VIFPVBQESA-N 0 0 386.235 3.032 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1cc(Br)ccc1F ZINC000146147220 564880824 /nfs/dbraw/zinc/88/08/24/564880824.db2.gz VWYFAKQWCUOOQC-UHFFFAOYSA-N 0 0 382.189 3.172 10 5 GGBERN CC1(C)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCS1(=O)=O ZINC000093735432 564889649 /nfs/dbraw/zinc/88/96/49/564889649.db2.gz BAQFXFAIMXBUAN-UHFFFAOYSA-N 0 0 380.491 3.332 10 5 GGBERN COc1cc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000150782483 564890260 /nfs/dbraw/zinc/89/02/60/564890260.db2.gz JTCWTBOPEQYJOV-ZJUUUORDSA-N 0 0 382.360 3.003 10 5 GGBERN COc1cc(C(=O)N2CCC(Cl)=C(Cl)C2)c([N+](=O)[O-])c(OC)c1OC ZINC000095992886 564900005 /nfs/dbraw/zinc/90/00/05/564900005.db2.gz BBPAESHKIFOPRN-UHFFFAOYSA-N 0 0 391.207 3.156 10 5 GGBERN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000150990540 564900636 /nfs/dbraw/zinc/90/06/36/564900636.db2.gz IEISIDCMRSFPLT-CYBMUJFWSA-N 0 0 384.223 3.085 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1NC[C@H]1CCCC[C@H]1O ZINC000096867215 564902967 /nfs/dbraw/zinc/90/29/67/564902967.db2.gz YUCCLTSTYSISPY-NOZJJQNGSA-N 0 0 376.194 3.162 10 5 GGBERN CCCCN1C(=S)NC(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1=S ZINC000097315691 564907711 /nfs/dbraw/zinc/90/77/11/564907711.db2.gz STRSLXCOJSGPNA-XFFZJAGNSA-N 0 0 379.463 3.025 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc2[N+](=O)[O-])n1 ZINC000151171304 564907827 /nfs/dbraw/zinc/90/78/27/564907827.db2.gz BNVNBQHYDXXQAF-KOLCDFICSA-N 0 0 381.479 3.258 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@@H](C)CO)cc2[N+](=O)[O-])n1 ZINC000151171149 564907929 /nfs/dbraw/zinc/90/79/29/564907929.db2.gz BNVNBQHYDXXQAF-ONGXEEELSA-N 0 0 381.479 3.258 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151319612 564914071 /nfs/dbraw/zinc/91/40/71/564914071.db2.gz BCGOEXJBYDTWEA-CXAGYDPISA-N 0 0 397.269 3.053 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](Oc2cccnc2)C1 ZINC000151538938 564925174 /nfs/dbraw/zinc/92/51/74/564925174.db2.gz SLTDUTROHCHCER-CYBMUJFWSA-N 0 0 392.209 3.046 10 5 GGBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(Br)c1 ZINC000103201797 564944590 /nfs/dbraw/zinc/94/45/90/564944590.db2.gz LGJVOUVOFFZFSJ-UHFFFAOYSA-N 0 0 394.210 3.456 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000152578518 564964428 /nfs/dbraw/zinc/96/44/28/564964428.db2.gz QNJAVIVADNYALG-PHIMTYICSA-N 0 0 389.271 3.086 10 5 GGBERN O=C(NC[C@H]1CCCC[C@H]1O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152915855 564977114 /nfs/dbraw/zinc/97/71/14/564977114.db2.gz NJFNYLFTQDAFOK-PRHODGIISA-N 0 0 391.649 3.292 10 5 GGBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1Br ZINC000153077470 564983790 /nfs/dbraw/zinc/98/37/90/564983790.db2.gz YRMQXZSIKVFOAM-UHFFFAOYSA-N 0 0 390.237 3.354 10 5 GGBERN CCOc1ccc(C(=O)NCc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000153093085 564984238 /nfs/dbraw/zinc/98/42/38/564984238.db2.gz DZCHAWCTETYEIZ-UHFFFAOYSA-N 0 0 375.328 3.399 10 5 GGBERN CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000106894889 564990692 /nfs/dbraw/zinc/99/06/92/564990692.db2.gz WIDSEGNRISTRHW-CYBMUJFWSA-N 0 0 376.862 3.218 10 5 GGBERN CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000106894888 564991093 /nfs/dbraw/zinc/99/10/93/564991093.db2.gz WIDSEGNRISTRHW-ZDUSSCGKSA-N 0 0 376.862 3.218 10 5 GGBERN CCOc1ccc(C(=O)N(C)Cc2cc(Br)cn2C)cc1[N+](=O)[O-] ZINC000153581496 565001438 /nfs/dbraw/zinc/00/14/38/565001438.db2.gz NWRKFYUJNZUHPK-UHFFFAOYSA-N 0 0 396.241 3.367 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1cccc(Br)c1 ZINC000153596030 565002308 /nfs/dbraw/zinc/00/23/08/565002308.db2.gz QJZUZSJJKPGZAO-CQSZACIVSA-N 0 0 380.198 3.212 10 5 GGBERN CCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)cs1 ZINC000153634518 565004122 /nfs/dbraw/zinc/00/41/22/565004122.db2.gz YUICFYLKSFTQMY-UHFFFAOYSA-N 0 0 381.479 3.282 10 5 GGBERN Cc1ccc(C(=O)NC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000153652479 565004847 /nfs/dbraw/zinc/00/48/47/565004847.db2.gz BHAQESHPGGZRSI-UHFFFAOYSA-N 0 0 380.857 3.412 10 5 GGBERN Cc1nc(C)c(CCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000108404698 565010613 /nfs/dbraw/zinc/01/06/13/565010613.db2.gz OSJMXSJGEIFGRA-UHFFFAOYSA-N 0 0 389.886 3.151 10 5 GGBERN CN(c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000108946614 565019057 /nfs/dbraw/zinc/01/90/57/565019057.db2.gz ZWVJKHUGOBEWLJ-ZDUSSCGKSA-N 0 0 392.257 3.253 10 5 GGBERN CSCCCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154373979 565036187 /nfs/dbraw/zinc/03/61/87/565036187.db2.gz AINZQXIPGWCOOE-UHFFFAOYSA-N 0 0 394.234 3.072 10 5 GGBERN CC(C)c1nc2n(n1)C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000110579747 565042223 /nfs/dbraw/zinc/04/22/23/565042223.db2.gz UKLJRBLIZVYQAH-LLVKDONJSA-N 0 0 380.246 3.499 10 5 GGBERN CC(C)c1nc2n(n1)C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000110579750 565042299 /nfs/dbraw/zinc/04/22/99/565042299.db2.gz UKLJRBLIZVYQAH-NSHDSACASA-N 0 0 380.246 3.499 10 5 GGBERN COc1cc(C(=O)NCc2cc(F)cc(Br)c2)ccc1[N+](=O)[O-] ZINC000154578920 565045016 /nfs/dbraw/zinc/04/50/16/565045016.db2.gz HAFIUXWKWRGKEN-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110877729 565046352 /nfs/dbraw/zinc/04/63/52/565046352.db2.gz QLNKAHMEQWYFRV-RISCZKNCSA-N 0 0 379.463 3.132 10 5 GGBERN CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000154682715 565049027 /nfs/dbraw/zinc/04/90/27/565049027.db2.gz LJWBGFSVBNUCTK-LBPRGKRZSA-N 0 0 383.495 3.445 10 5 GGBERN Cn1cc([C@H]2CCCN2C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000155205798 565064165 /nfs/dbraw/zinc/06/41/65/565064165.db2.gz UEWPYGLKLZFXHF-CYBMUJFWSA-N 0 0 394.229 3.460 10 5 GGBERN Cc1cccc2[nH]c(CNC(=O)c3cc(Br)cc([N+](=O)[O-])c3)nc21 ZINC000155242782 565065034 /nfs/dbraw/zinc/06/50/34/565065034.db2.gz WATNTMNEDIASEJ-UHFFFAOYSA-N 0 0 389.209 3.472 10 5 GGBERN O=c1c(Br)cn(-c2ncnc3c4ccccc4oc32)cc1[N+](=O)[O-] ZINC000155364777 565066679 /nfs/dbraw/zinc/06/66/79/565066679.db2.gz ODDWQYHSLGAQFI-UHFFFAOYSA-N 0 0 387.149 3.198 10 5 GGBERN CCN(CCc1nccs1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000155391064 565067269 /nfs/dbraw/zinc/06/72/69/565067269.db2.gz SZQMLAFOIGYWJR-UHFFFAOYSA-N 0 0 389.886 3.266 10 5 GGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCc1nccs1)C(C)C ZINC000155543502 565068941 /nfs/dbraw/zinc/06/89/41/565068941.db2.gz YJBNUDWRTUWFAE-UHFFFAOYSA-N 0 0 383.495 3.256 10 5 GGBERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)n1 ZINC000113944613 565071518 /nfs/dbraw/zinc/07/15/18/565071518.db2.gz CNEYHCYOUDXIDP-SNVBAGLBSA-N 0 0 387.508 3.244 10 5 GGBERN O=C(Nc1cncc(Br)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000155807305 565071755 /nfs/dbraw/zinc/07/17/55/565071755.db2.gz DGUXTFPARKVUEQ-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000113944904 565071811 /nfs/dbraw/zinc/07/18/11/565071811.db2.gz ZLBRPCCPWAVGIS-LBPRGKRZSA-N 0 0 381.479 3.182 10 5 GGBERN C[C@H](NC(=O)C(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000114241988 565073256 /nfs/dbraw/zinc/07/32/56/565073256.db2.gz FEVHTJINQPLUQB-JTQLQIEISA-N 0 0 377.194 3.417 10 5 GGBERN CCc1noc(CC)c1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000156019398 565074036 /nfs/dbraw/zinc/07/40/36/565074036.db2.gz VSIVOBQZMLJRSP-UHFFFAOYSA-N 0 0 387.845 3.148 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000156181556 565075689 /nfs/dbraw/zinc/07/56/89/565075689.db2.gz YWRFUUHOYABLDY-UHFFFAOYSA-N 0 0 376.456 3.137 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000183761270 565093941 /nfs/dbraw/zinc/09/39/41/565093941.db2.gz KLBOZWMRPVQBLH-UHFFFAOYSA-N 0 0 394.200 3.398 10 5 GGBERN C[C@H]1CC[C@H](C)N(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000156564485 565095554 /nfs/dbraw/zinc/09/55/54/565095554.db2.gz YTTGIGPNZFVXMW-UWVGGRQHSA-N 0 0 388.205 3.460 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2ccccc21 ZINC000156642976 565099516 /nfs/dbraw/zinc/09/95/16/565099516.db2.gz UBWFBWUPZCKAJX-NSHDSACASA-N 0 0 390.193 3.422 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1c1nc[nH]n1 ZINC000183868223 565099794 /nfs/dbraw/zinc/09/97/94/565099794.db2.gz PXNXAEUONGDTTE-NSHDSACASA-N 0 0 381.845 3.212 10 5 GGBERN Cc1nc(C(F)(F)F)c(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)s1 ZINC000183893508 565101853 /nfs/dbraw/zinc/10/18/53/565101853.db2.gz XRHNFEZNPSRXMG-UHFFFAOYSA-N 0 0 398.160 3.351 10 5 GGBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156740700 565103441 /nfs/dbraw/zinc/10/34/41/565103441.db2.gz FSGSZMZAOQYBFR-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000156734376 565104206 /nfs/dbraw/zinc/10/42/06/565104206.db2.gz UBDZBDVEJDHPCB-IINYFYTJSA-N 0 0 383.235 3.408 10 5 GGBERN CCOCCC1(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000156848882 565108705 /nfs/dbraw/zinc/10/87/05/565108705.db2.gz DHTJFXACARIBRC-UHFFFAOYSA-N 0 0 376.862 3.042 10 5 GGBERN Cn1cc(-c2cc(COc3ccc([N+](=O)[O-])cc3Br)on2)cn1 ZINC000184011981 565109337 /nfs/dbraw/zinc/10/93/37/565109337.db2.gz HUDVSIWEDQRRIR-UHFFFAOYSA-N 0 0 379.170 3.325 10 5 GGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Br)cn1 ZINC000157339366 565127793 /nfs/dbraw/zinc/12/77/93/565127793.db2.gz BRRVTXJSDLFOBI-UHFFFAOYSA-N 0 0 375.182 3.415 10 5 GGBERN COc1cc(CN[C@@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC000184397100 565133109 /nfs/dbraw/zinc/13/31/09/565133109.db2.gz WVWJZQCVDCKCTE-AWEZNQCLSA-N 0 0 399.216 3.328 10 5 GGBERN C[C@@]12CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000292887253 565139018 /nfs/dbraw/zinc/13/90/18/565139018.db2.gz QBUQPWIDBRBQTA-WCQYABFASA-N 0 0 375.169 3.475 10 5 GGBERN C[C@]12CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000292887263 565139496 /nfs/dbraw/zinc/13/94/96/565139496.db2.gz QBUQPWIDBRBQTA-YPMHNXCESA-N 0 0 375.169 3.475 10 5 GGBERN CS(=O)(=O)c1ccc(NCCOCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000157745043 565142504 /nfs/dbraw/zinc/14/25/04/565142504.db2.gz UMQDUNNYSIKNMP-UHFFFAOYSA-N 0 0 384.841 3.280 10 5 GGBERN O=[N+]([O-])c1cc(CN[C@@H](c2nccs2)C(F)(F)F)c2c(c1)COCO2 ZINC000293020655 565147121 /nfs/dbraw/zinc/14/71/21/565147121.db2.gz QQQYNROZEKYCCC-LBPRGKRZSA-N 0 0 375.328 3.311 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCCC[C@H]1c1cn[nH]c1 ZINC000184782217 565156641 /nfs/dbraw/zinc/15/66/41/565156641.db2.gz BKKRZSDRYFAOAJ-LBPRGKRZSA-N 0 0 379.214 3.448 10 5 GGBERN Cc1nc(C(C)(C)NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)sc1C ZINC000184789387 565156764 /nfs/dbraw/zinc/15/67/64/565156764.db2.gz PANORCPZQSIINM-UHFFFAOYSA-N 0 0 387.458 3.329 10 5 GGBERN CN(Cc1ccccc1N)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000158463885 565171246 /nfs/dbraw/zinc/17/12/46/565171246.db2.gz PPALDCWROIFNGV-UHFFFAOYSA-N 0 0 390.248 3.305 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(c2c[nH]cn2)CC1 ZINC000371077225 565176372 /nfs/dbraw/zinc/17/63/72/565176372.db2.gz WKCODIRZTKXHSO-UHFFFAOYSA-N 0 0 394.229 3.492 10 5 GGBERN Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000158786463 565182666 /nfs/dbraw/zinc/18/26/66/565182666.db2.gz AFJGUYUCDTVXPM-MRVPVSSYSA-N 0 0 387.845 3.243 10 5 GGBERN COc1cccc(N2CCN(c3ccc(Br)cn3)CC2)c1[N+](=O)[O-] ZINC000185173715 565183564 /nfs/dbraw/zinc/18/35/64/565183564.db2.gz XLGMTCKPWQIGBQ-UHFFFAOYSA-N 0 0 393.241 3.088 10 5 GGBERN CCc1noc(C)c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000293804895 565185207 /nfs/dbraw/zinc/18/52/07/565185207.db2.gz DECOWJJAKAKXHX-UHFFFAOYSA-N 0 0 386.177 3.285 10 5 GGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Br)c[nH]c1=O ZINC000185273801 565192706 /nfs/dbraw/zinc/19/27/06/565192706.db2.gz AFJNUZAZTLPRDE-LLVKDONJSA-N 0 0 394.225 3.253 10 5 GGBERN COc1cc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000293979213 565192997 /nfs/dbraw/zinc/19/29/97/565192997.db2.gz RLGPCZGDNZOAGL-NSHDSACASA-N 0 0 375.328 3.402 10 5 GGBERN O=C(Nc1cccc2c1OCC[C@@H]2O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000185333303 565195846 /nfs/dbraw/zinc/19/58/46/565195846.db2.gz IKDODMHESBKFTE-AWEZNQCLSA-N 0 0 393.193 3.426 10 5 GGBERN O=[N+]([O-])c1cc(Cn2nnc(Cc3cccc(Br)c3)n2)cs1 ZINC000159353000 565203168 /nfs/dbraw/zinc/20/31/68/565203168.db2.gz FCPBEFJRQQXKQJ-UHFFFAOYSA-N 0 0 380.227 3.044 10 5 GGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccnn1CC(F)(F)F ZINC000294226376 565203782 /nfs/dbraw/zinc/20/37/82/565203782.db2.gz BBVRSBPBLHBNJA-UHFFFAOYSA-N 0 0 376.722 3.279 10 5 GGBERN Cc1nn(C)c(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000371715173 565207049 /nfs/dbraw/zinc/20/70/49/565207049.db2.gz IWCCOAVMLFABMV-SECBINFHSA-N 0 0 399.270 3.438 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000185578332 565209603 /nfs/dbraw/zinc/20/96/03/565209603.db2.gz WRNRYNIRGNBGIH-MRXNPFEDSA-N 0 0 392.253 3.324 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000185578319 565209781 /nfs/dbraw/zinc/20/97/81/565209781.db2.gz WRNRYNIRGNBGIH-INIZCTEOSA-N 0 0 392.253 3.324 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](c2cccs2)C1 ZINC000372016436 565218915 /nfs/dbraw/zinc/21/89/15/565218915.db2.gz FDHHPHMVTZRXJP-LBPRGKRZSA-N 0 0 388.854 3.072 10 5 GGBERN C[C@]12CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]1C2(F)F ZINC000294608812 565219811 /nfs/dbraw/zinc/21/98/11/565219811.db2.gz HULQHRAMNGNDNK-YPMHNXCESA-N 0 0 375.169 3.475 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1ncc(C2CC2)o1 ZINC000270494814 565219859 /nfs/dbraw/zinc/21/98/59/565219859.db2.gz SESQDXXJXVWZAE-UHFFFAOYSA-N 0 0 387.211 3.197 10 5 GGBERN CC[C@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000159952922 565224650 /nfs/dbraw/zinc/22/46/50/565224650.db2.gz XECOROVJRUJSFH-NSHDSACASA-N 0 0 375.859 3.443 10 5 GGBERN CC[C@@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000159953064 565224770 /nfs/dbraw/zinc/22/47/70/565224770.db2.gz XECOROVJRUJSFH-LLVKDONJSA-N 0 0 375.859 3.443 10 5 GGBERN CCOC(=O)C1CCC(Sc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000294864990 565233134 /nfs/dbraw/zinc/23/31/34/565233134.db2.gz AMBCURKFOWEADB-UHFFFAOYSA-N 0 0 387.479 3.212 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000185999258 565234428 /nfs/dbraw/zinc/23/44/28/565234428.db2.gz SUQIMXNTGHYTIO-UHFFFAOYSA-N 0 0 378.837 3.484 10 5 GGBERN COc1ccc(OC)c([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000271147565 565239892 /nfs/dbraw/zinc/23/98/92/565239892.db2.gz IYFOXXTXLPJHRN-VIFPVBQESA-N 0 0 386.451 3.250 10 5 GGBERN COc1ccc(OC)c([C@@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000271147562 565240222 /nfs/dbraw/zinc/24/02/22/565240222.db2.gz IYFOXXTXLPJHRN-SECBINFHSA-N 0 0 386.451 3.250 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000186244569 565249498 /nfs/dbraw/zinc/24/94/98/565249498.db2.gz DWBRGWVLAQIBMT-UHFFFAOYSA-N 0 0 394.225 3.365 10 5 GGBERN CC[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000271361121 565249903 /nfs/dbraw/zinc/24/99/03/565249903.db2.gz GLTAEFIANRWRLI-LLVKDONJSA-N 0 0 395.257 3.090 10 5 GGBERN C[C@@]12CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C[C@@H]1C2(F)F ZINC000295326678 565259828 /nfs/dbraw/zinc/25/98/28/565259828.db2.gz MLZSEGXODBFFLS-GXFFZTMASA-N 0 0 375.169 3.475 10 5 GGBERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000161001559 565267529 /nfs/dbraw/zinc/26/75/29/565267529.db2.gz WSIWFUYMMXBCLA-ONGXEEELSA-N 0 0 377.447 3.271 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)n1 ZINC000373151674 565272575 /nfs/dbraw/zinc/27/25/75/565272575.db2.gz KIGRDDPALIZQOZ-GFCCVEGCSA-N 0 0 379.214 3.068 10 5 GGBERN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000161156324 565274922 /nfs/dbraw/zinc/27/49/22/565274922.db2.gz ICMCEOHKPAMOBW-UHFFFAOYSA-N 0 0 378.694 3.175 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC(Cc3ccccc3Cl)C2)s1 ZINC000373267964 565276872 /nfs/dbraw/zinc/27/68/72/565276872.db2.gz NCPHJLFGIYLVJG-UHFFFAOYSA-N 0 0 386.882 3.392 10 5 GGBERN CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272452181 565287275 /nfs/dbraw/zinc/28/72/75/565287275.db2.gz MSMYZHMFTBOHJF-UHFFFAOYSA-N 0 0 399.220 3.281 10 5 GGBERN Cc1c(NC(=O)N2CCC23CCOCC3)cc(Br)cc1[N+](=O)[O-] ZINC000373847846 565306601 /nfs/dbraw/zinc/30/66/01/565306601.db2.gz IJOUTLPMJDCESA-UHFFFAOYSA-N 0 0 384.230 3.453 10 5 GGBERN Cc1c(NC(=O)N2CCOC[C@@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000373928586 565309826 /nfs/dbraw/zinc/30/98/26/565309826.db2.gz LLNJRISQROUKFF-CQSZACIVSA-N 0 0 384.230 3.308 10 5 GGBERN Cc1c(NC(=O)N2CC([C@H]3CCOC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000373932317 565311209 /nfs/dbraw/zinc/31/12/09/565311209.db2.gz YDWHSAFYMYPZGL-JTQLQIEISA-N 0 0 384.230 3.166 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2ncc[nH]2)CC1 ZINC000273190838 565311644 /nfs/dbraw/zinc/31/16/44/565311644.db2.gz IBQNFNCKRYBLQY-UHFFFAOYSA-N 0 0 379.214 3.100 10 5 GGBERN Cc1c(NC(=O)N2CC([C@@H]3CCOC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000373932318 565311742 /nfs/dbraw/zinc/31/17/42/565311742.db2.gz YDWHSAFYMYPZGL-SNVBAGLBSA-N 0 0 384.230 3.166 10 5 GGBERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000373945860 565312172 /nfs/dbraw/zinc/31/21/72/565312172.db2.gz KAQXJJYLYSGCCZ-LLVKDONJSA-N 0 0 398.257 3.364 10 5 GGBERN CCC1(CC)CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[S@@]1=O ZINC000187557148 565340501 /nfs/dbraw/zinc/34/05/01/565340501.db2.gz GPOAQJCPUNFDIA-VWLOTQADSA-N 0 0 376.425 3.319 10 5 GGBERN Cc1cc(C)n(Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)n1 ZINC000273865378 565341568 /nfs/dbraw/zinc/34/15/68/565341568.db2.gz PPRMYAXVLDXOQX-UHFFFAOYSA-N 0 0 392.213 3.193 10 5 GGBERN CCc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 ZINC000163348360 565343767 /nfs/dbraw/zinc/34/37/67/565343767.db2.gz HAUNSQZJVALYGV-UHFFFAOYSA-N 0 0 395.384 3.111 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374543590 565344860 /nfs/dbraw/zinc/34/48/60/565344860.db2.gz MYZRAWONRNMKGL-QGZVFWFLSA-N 0 0 392.253 3.283 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000273949201 565348528 /nfs/dbraw/zinc/34/85/28/565348528.db2.gz UQSIBKFANRCXPB-UHFFFAOYSA-N 0 0 391.225 3.020 10 5 GGBERN Cn1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)n1 ZINC000163606661 565348715 /nfs/dbraw/zinc/34/87/15/565348715.db2.gz YSKPOANIZAVRQC-UHFFFAOYSA-N 0 0 377.710 3.322 10 5 GGBERN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000374719813 565352324 /nfs/dbraw/zinc/35/23/24/565352324.db2.gz WBOHLPDLEMWPDG-CYBMUJFWSA-N 0 0 390.237 3.457 10 5 GGBERN CC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H](O)C(F)F ZINC000297131343 565357949 /nfs/dbraw/zinc/35/79/49/565357949.db2.gz OIDFAIQTGXTTBJ-GZMMTYOYSA-N 0 0 396.188 3.192 10 5 GGBERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cs1 ZINC000188018255 565370918 /nfs/dbraw/zinc/37/09/18/565370918.db2.gz JFKDQGJFBGBTEE-ZDUSSCGKSA-N 0 0 385.442 3.333 10 5 GGBERN O=[N+]([O-])c1cnc(N[C@H](c2nc[nH]n2)c2ccccc2)c(Br)c1 ZINC000375174558 565372584 /nfs/dbraw/zinc/37/25/84/565372584.db2.gz HBOFBCRJRNPSSQ-LBPRGKRZSA-N 0 0 375.186 3.072 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000375272348 565379310 /nfs/dbraw/zinc/37/93/10/565379310.db2.gz NDDCZQSXVQOBGA-MRXNPFEDSA-N 0 0 383.242 3.308 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCc3c(Br)ccc(Cl)c32)n1 ZINC000274956536 565386960 /nfs/dbraw/zinc/38/69/60/565386960.db2.gz JRSSGJATAXEDOP-UHFFFAOYSA-N 0 0 399.632 3.337 10 5 GGBERN CCOC1CC(CCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000188295811 565393559 /nfs/dbraw/zinc/39/35/59/565393559.db2.gz NFYCUVIHDNNECT-UHFFFAOYSA-N 0 0 376.862 3.040 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000375551599 565394351 /nfs/dbraw/zinc/39/43/51/565394351.db2.gz GBXNBVYCKJVFHS-FZMZJTMJSA-N 0 0 384.230 3.436 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000375551603 565394798 /nfs/dbraw/zinc/39/47/98/565394798.db2.gz GBXNBVYCKJVFHS-SMDDNHRTSA-N 0 0 384.230 3.436 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(n2ccnc2)CC1 ZINC000375559485 565395151 /nfs/dbraw/zinc/39/51/51/565395151.db2.gz FGYWAJXVEPVQNN-UHFFFAOYSA-N 0 0 394.229 3.423 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000375563154 565395270 /nfs/dbraw/zinc/39/52/70/565395270.db2.gz FVTKKPUBOMTFAC-SNVBAGLBSA-N 0 0 394.229 3.492 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000375559557 565395514 /nfs/dbraw/zinc/39/55/14/565395514.db2.gz GCLNIICISDPKGG-QWRGUYRKSA-N 0 0 384.230 3.248 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000375563153 565395834 /nfs/dbraw/zinc/39/58/34/565395834.db2.gz FVTKKPUBOMTFAC-JTQLQIEISA-N 0 0 394.229 3.492 10 5 GGBERN Cc1nc([C@H]2CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cs1 ZINC000275141191 565396035 /nfs/dbraw/zinc/39/60/35/565396035.db2.gz OFMVHBZAKZGNAM-GFCCVEGCSA-N 0 0 375.435 3.342 10 5 GGBERN COCc1cc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)no1 ZINC000298031990 565396167 /nfs/dbraw/zinc/39/61/67/565396167.db2.gz GBQZHARTMAJNON-UHFFFAOYSA-N 0 0 382.214 3.050 10 5 GGBERN CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000171012811 565402758 /nfs/dbraw/zinc/40/27/58/565402758.db2.gz LPHPSKKZFBLBBH-ZDUSSCGKSA-N 0 0 384.841 3.214 10 5 GGBERN CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000171012813 565402889 /nfs/dbraw/zinc/40/28/89/565402889.db2.gz LPHPSKKZFBLBBH-CYBMUJFWSA-N 0 0 384.841 3.214 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000188530627 565406672 /nfs/dbraw/zinc/40/66/72/565406672.db2.gz BHQPIXMZWAPYAC-UHFFFAOYSA-N 0 0 398.188 3.017 10 5 GGBERN O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000376172877 565426134 /nfs/dbraw/zinc/42/61/34/565426134.db2.gz HDVVMHJVYSVKOK-UHFFFAOYSA-N 0 0 384.223 3.341 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000275823133 565428254 /nfs/dbraw/zinc/42/82/54/565428254.db2.gz DWLPXGCPKKNANZ-JTQLQIEISA-N 0 0 379.766 3.171 10 5 GGBERN C[C@@H](CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000276244032 565441716 /nfs/dbraw/zinc/44/17/16/565441716.db2.gz PRKVWTSRGHWMQY-VIFPVBQESA-N 0 0 387.223 3.175 10 5 GGBERN COc1cc(Br)ccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189092507 565443368 /nfs/dbraw/zinc/44/33/68/565443368.db2.gz DOIZDUJBMSQNLS-UHFFFAOYSA-N 0 0 380.198 3.077 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccnc2)s1 ZINC000171768563 565449268 /nfs/dbraw/zinc/44/92/68/565449268.db2.gz ROAKPXWVDFDHQF-MRXNPFEDSA-N 0 0 375.431 3.119 10 5 GGBERN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000171825071 565452934 /nfs/dbraw/zinc/45/29/34/565452934.db2.gz PUPNFSKURIBRJK-GHMZBOCLSA-N 0 0 379.463 3.200 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000189247786 565453700 /nfs/dbraw/zinc/45/37/00/565453700.db2.gz NQYPHRAGCFURLB-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN COc1ccc(C(=O)NCc2ccc(Br)cc2OC)cc1[N+](=O)[O-] ZINC000189255298 565454715 /nfs/dbraw/zinc/45/47/15/565454715.db2.gz PXXQEPNRVPVGDR-UHFFFAOYSA-N 0 0 395.209 3.305 10 5 GGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@H](c2nccs2)C1 ZINC000171853555 565455483 /nfs/dbraw/zinc/45/54/83/565455483.db2.gz FOTPMLNZILEVER-LBPRGKRZSA-N 0 0 375.431 3.480 10 5 GGBERN COc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1Br ZINC000301063668 565462449 /nfs/dbraw/zinc/46/24/49/565462449.db2.gz CIOAHXFCSJMVPZ-QMMMGPOBSA-N 0 0 395.213 3.033 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3cc(Br)ccc3F)cc2N1 ZINC000301063734 565462544 /nfs/dbraw/zinc/46/25/44/565462544.db2.gz DAQUNKFDFILNEW-UHFFFAOYSA-N 0 0 396.172 3.439 10 5 GGBERN COc1ccc(F)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000189415022 565463784 /nfs/dbraw/zinc/46/37/84/565463784.db2.gz SWGZBPWGSOOMQD-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(F)cc(Br)c1 ZINC000301120144 565464512 /nfs/dbraw/zinc/46/45/12/565464512.db2.gz RCKKOVRGCRFOQE-UHFFFAOYSA-N 0 0 382.189 3.468 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCc1ccc(Cl)cc1 ZINC000172107175 565465922 /nfs/dbraw/zinc/46/59/22/565465922.db2.gz UZDXTJBSPWKIOS-UHFFFAOYSA-N 0 0 384.841 3.120 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC[C@](CO)(c3ccccc3)C2)c(Br)c1 ZINC000377150646 565467850 /nfs/dbraw/zinc/46/78/50/565467850.db2.gz HOHCKXBECKVSLQ-KRWDZBQOSA-N 0 0 392.253 3.283 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1N1CCC[C@@H](n2cccn2)C1 ZINC000301151403 565468252 /nfs/dbraw/zinc/46/82/52/565468252.db2.gz DFGPDOAPBXYODV-GFCCVEGCSA-N 0 0 398.204 3.237 10 5 GGBERN O=[N+]([O-])c1ccn(-c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)n1 ZINC000301214351 565471950 /nfs/dbraw/zinc/47/19/50/565471950.db2.gz WXBUBYSMXXRZTN-UHFFFAOYSA-N 0 0 376.163 3.192 10 5 GGBERN CCc1nc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cs1 ZINC000301236281 565474088 /nfs/dbraw/zinc/47/40/88/565474088.db2.gz HWLUJSHHPOHJLI-UHFFFAOYSA-N 0 0 377.394 3.222 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC2(C1)CCCOC2 ZINC000377329720 565475012 /nfs/dbraw/zinc/47/50/12/565475012.db2.gz IRLBXNBMSFLKHZ-UHFFFAOYSA-N 0 0 389.633 3.263 10 5 GGBERN CNC(=O)c1ccc(Nc2ccc(Cl)c(C[S@](C)=O)c2)c([N+](=O)[O-])c1 ZINC000301272835 565477125 /nfs/dbraw/zinc/47/71/25/565477125.db2.gz HZIROQUFSGCLES-VWLOTQADSA-N 0 0 381.841 3.230 10 5 GGBERN CCOc1ccccc1-n1nnnc1Sc1ncc([N+](=O)[O-])cc1Cl ZINC000301288397 565477562 /nfs/dbraw/zinc/47/75/62/565477562.db2.gz RXWJYZOTRPGFJS-UHFFFAOYSA-N 0 0 378.801 3.169 10 5 GGBERN CNS(=O)(=O)c1ccc(N[C@@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000301298338 565477843 /nfs/dbraw/zinc/47/78/43/565477843.db2.gz ZFOIAZGWCWPXMG-VIFPVBQESA-N 0 0 387.820 3.469 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cccc(Br)c2C1 ZINC000172354874 565481021 /nfs/dbraw/zinc/48/10/21/565481021.db2.gz IEMLWCUKQCILPY-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000172398227 565483615 /nfs/dbraw/zinc/48/36/15/565483615.db2.gz YILDVDXSKQBZMD-HNNXBMFYSA-N 0 0 379.210 3.475 10 5 GGBERN CC(C)c1nc2n(n1)C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000301397658 565484078 /nfs/dbraw/zinc/48/40/78/565484078.db2.gz HDIZQWLTMYGLPV-SNVBAGLBSA-N 0 0 380.246 3.499 10 5 GGBERN Cn1cc(N2CCC[C@H](Nc3ccc(Br)cc3[N+](=O)[O-])C2)cn1 ZINC000301409334 565484112 /nfs/dbraw/zinc/48/41/12/565484112.db2.gz JCENQRJTQJDRAR-LBPRGKRZSA-N 0 0 380.246 3.172 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1nnc(-c2ccc(Cl)s2)o1 ZINC000301423031 565484665 /nfs/dbraw/zinc/48/46/65/565484665.db2.gz OGIGQTLJLOTASQ-UHFFFAOYSA-N 0 0 383.798 3.005 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000301411874 565485186 /nfs/dbraw/zinc/48/51/86/565485186.db2.gz KMRSOXBWHFQBTA-PHIMTYICSA-N 0 0 376.356 3.291 10 5 GGBERN O=[N+]([O-])c1cnc(N[C@H]2CCN(c3ncccc3Cl)C2)c(Br)c1 ZINC000301628125 565501064 /nfs/dbraw/zinc/50/10/64/565501064.db2.gz RHDIUALOVMYNPB-VIFPVBQESA-N 0 0 398.648 3.492 10 5 GGBERN Cn1cc(N2CCC[C@@H](Nc3cc(Br)ccc3[N+](=O)[O-])C2)cn1 ZINC000301679645 565504628 /nfs/dbraw/zinc/50/46/28/565504628.db2.gz RLQAMZUUWOCLDQ-GFCCVEGCSA-N 0 0 380.246 3.172 10 5 GGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301697073 565506079 /nfs/dbraw/zinc/50/60/79/565506079.db2.gz QFUXEYOEPYPAPF-NSHDSACASA-N 0 0 399.289 3.129 10 5 GGBERN Cc1cc(N2CCN(Cc3ccc(Br)cc3)CC2)ncc1[N+](=O)[O-] ZINC000301733154 565507782 /nfs/dbraw/zinc/50/77/82/565507782.db2.gz YTLZISHZYRPMMO-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN O=[N+]([O-])c1cccnc1S(=O)(=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000172871450 565508418 /nfs/dbraw/zinc/50/84/18/565508418.db2.gz IKNKVNMEXLUEOA-UHFFFAOYSA-N 0 0 379.781 3.272 10 5 GGBERN CSc1ccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277591279 565508558 /nfs/dbraw/zinc/50/85/58/565508558.db2.gz NDHCKOAYNXBIDI-GWCFXTLKSA-N 0 0 378.372 3.092 10 5 GGBERN CO[C@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301791326 565510300 /nfs/dbraw/zinc/51/03/00/565510300.db2.gz RGHWEOOJNSYQJT-ZJUUUORDSA-N 0 0 382.360 3.258 10 5 GGBERN CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000301824956 565512224 /nfs/dbraw/zinc/51/22/24/565512224.db2.gz MARMSYNJDMERFJ-HNNXBMFYSA-N 0 0 392.253 3.469 10 5 GGBERN COc1cc(OC)c(CNc2c(Br)cncc2[N+](=O)[O-])c(OC)c1 ZINC000301834277 565513580 /nfs/dbraw/zinc/51/35/80/565513580.db2.gz KHPCBRNRPDVGGG-UHFFFAOYSA-N 0 0 398.213 3.390 10 5 GGBERN CN(Cc1cc(Br)ccc1F)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301893539 565516766 /nfs/dbraw/zinc/51/67/66/565516766.db2.gz AQEXNNPPUMOETP-UHFFFAOYSA-N 0 0 380.177 3.176 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2Cc2cccc(F)c2)s1 ZINC000301933894 565519848 /nfs/dbraw/zinc/51/98/48/565519848.db2.gz NVKQUYISCGXRHR-CYBMUJFWSA-N 0 0 384.454 3.410 10 5 GGBERN C[C@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000277781362 565520078 /nfs/dbraw/zinc/52/00/78/565520078.db2.gz WQSBXTGNUCTETH-QMMMGPOBSA-N 0 0 386.779 3.138 10 5 GGBERN COc1ccc(Br)cc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301967053 565522408 /nfs/dbraw/zinc/52/24/08/565522408.db2.gz KZXXNXIBYJYRCL-UHFFFAOYSA-N 0 0 378.186 3.021 10 5 GGBERN O=C(COc1ccc(Cl)cc1)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301987992 565522710 /nfs/dbraw/zinc/52/27/10/565522710.db2.gz LHTDDDSNGLIOHK-UHFFFAOYSA-N 0 0 381.841 3.037 10 5 GGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2cccc(Br)c2C1 ZINC000173069886 565524864 /nfs/dbraw/zinc/52/48/64/565524864.db2.gz OZFVSTJKYPEEDU-UHFFFAOYSA-N 0 0 375.222 3.485 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277854475 565525430 /nfs/dbraw/zinc/52/54/30/565525430.db2.gz JOJLZDMVOHIMBG-ZANVPECISA-N 0 0 378.372 3.092 10 5 GGBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C(F)(F)F ZINC000190391641 565527759 /nfs/dbraw/zinc/52/77/59/565527759.db2.gz WWALVQJCYBRUSW-LBPRGKRZSA-N 0 0 384.351 3.333 10 5 GGBERN O=[N+]([O-])c1cc(Cl)c(N2CCC(c3ccnn3CCO)CC2)c(Cl)c1 ZINC000302053073 565527860 /nfs/dbraw/zinc/52/78/60/565527860.db2.gz YCNHYXYOTIVZTD-UHFFFAOYSA-N 0 0 385.251 3.474 10 5 GGBERN NS(=O)(=O)c1cccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000302149722 565533020 /nfs/dbraw/zinc/53/30/20/565533020.db2.gz STZPXSGXHUTFMZ-OAHLLOKOSA-N 0 0 381.841 3.459 10 5 GGBERN O=[N+]([O-])c1ccc(CO)cc1NCc1cc(Br)cc2c1OCC2 ZINC000302172482 565534736 /nfs/dbraw/zinc/53/47/36/565534736.db2.gz MSPVKPZYJVRAIT-UHFFFAOYSA-N 0 0 379.210 3.397 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cc(Br)cn2C)c1 ZINC000302170842 565535265 /nfs/dbraw/zinc/53/52/65/565535265.db2.gz LYPJFCHXRFMUSI-UHFFFAOYSA-N 0 0 382.214 3.119 10 5 GGBERN O=C1[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])CCCN1c1cccnc1 ZINC000302194270 565536147 /nfs/dbraw/zinc/53/61/47/565536147.db2.gz WSGLXFGWTDKHOG-AWEZNQCLSA-N 0 0 391.225 3.360 10 5 GGBERN Cc1ccc(Br)cc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000190507651 565536756 /nfs/dbraw/zinc/53/67/56/565536756.db2.gz QBTPOUBSHFVYCJ-UHFFFAOYSA-N 0 0 399.266 3.285 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(O)c(Br)c2)c1 ZINC000302201729 565537217 /nfs/dbraw/zinc/53/72/17/565537217.db2.gz VLHXWYZUBPDFHW-UHFFFAOYSA-N 0 0 381.182 3.462 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H](CO)c1ccsc1 ZINC000302251055 565538334 /nfs/dbraw/zinc/53/83/34/565538334.db2.gz NANZXYTVEZJSOQ-NSHDSACASA-N 0 0 396.368 3.095 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H](CO)c1ccsc1 ZINC000302251053 565538454 /nfs/dbraw/zinc/53/84/54/565538454.db2.gz NANZXYTVEZJSOQ-LLVKDONJSA-N 0 0 396.368 3.095 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccc(Br)s2)n1 ZINC000378648883 565538954 /nfs/dbraw/zinc/53/89/54/565538954.db2.gz LWMVLMZWRAVYOF-QMMMGPOBSA-N 0 0 385.243 3.130 10 5 GGBERN Cc1cc(Br)c2c(c1)CN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2 ZINC000302476910 565543082 /nfs/dbraw/zinc/54/30/82/565543082.db2.gz WWCXBHVNOLOTKT-UHFFFAOYSA-N 0 0 388.225 3.271 10 5 GGBERN CCC1(CC)CN(c2ccc(Br)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000302492799 565543303 /nfs/dbraw/zinc/54/33/03/565543303.db2.gz ZNXIHMFJQJKUKE-UHFFFAOYSA-N 0 0 391.287 3.151 10 5 GGBERN O=[N+]([O-])c1ccc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c(Br)c1 ZINC000302485976 565543782 /nfs/dbraw/zinc/54/37/82/565543782.db2.gz YMMTWQVOGUUHRR-UHFFFAOYSA-N 0 0 392.257 3.284 10 5 GGBERN C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000302560924 565546040 /nfs/dbraw/zinc/54/60/40/565546040.db2.gz MUGDVUMBIBLBMW-SECBINFHSA-N 0 0 377.392 3.379 10 5 GGBERN COc1ccc(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(Cl)c1 ZINC000302616227 565547105 /nfs/dbraw/zinc/54/71/05/565547105.db2.gz FZKSQLOXYNSHPZ-UHFFFAOYSA-N 0 0 384.841 3.315 10 5 GGBERN CC(C)c1nnc2n1CCN(c1ncc([N+](=O)[O-])cc1Br)[C@@H]2C ZINC000302588640 565547322 /nfs/dbraw/zinc/54/73/22/565547322.db2.gz VXDRLZUZLBEEAA-SECBINFHSA-N 0 0 381.234 3.048 10 5 GGBERN C[C@H]1CSCCN(c2nc(N3CCSC[C@H](C)C3)c([N+](=O)[O-])s2)C1 ZINC000302688504 565549498 /nfs/dbraw/zinc/54/94/98/565549498.db2.gz BRIPWWLGHXDQEV-VXGBXAGGSA-N 0 0 388.584 3.430 10 5 GGBERN COC(=O)c1cnc(Nc2ccc(Cl)c(C[S@@](C)=O)c2)c([N+](=O)[O-])c1 ZINC000302769765 565555404 /nfs/dbraw/zinc/55/54/04/565555404.db2.gz MQDCAKLEONSVQB-RUZDIDTESA-N 0 0 383.813 3.052 10 5 GGBERN CC1(C)CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000190770121 565557596 /nfs/dbraw/zinc/55/75/96/565557596.db2.gz HLHTXNCPRGSBDU-UHFFFAOYSA-N 0 0 388.873 3.361 10 5 GGBERN C[C@@H]1COCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000278462250 565559655 /nfs/dbraw/zinc/55/96/55/565559655.db2.gz JDJUHPLRFUGREZ-GMSGAONNSA-N 0 0 377.622 3.166 10 5 GGBERN C[C@H]1COCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000278462253 565560256 /nfs/dbraw/zinc/56/02/56/565560256.db2.gz JDJUHPLRFUGREZ-OIBJUYFYSA-N 0 0 377.622 3.166 10 5 GGBERN C[C@H]1COCC[C@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000278553562 565565837 /nfs/dbraw/zinc/56/58/37/565565837.db2.gz OTYBFPLWXAFNTB-GXSJLCMTSA-N 0 0 378.372 3.247 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000408001828 565589534 /nfs/dbraw/zinc/58/95/34/565589534.db2.gz BDWDNKQIGANYGI-ABAIWWIYSA-N 0 0 383.242 3.307 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408004225 565590416 /nfs/dbraw/zinc/59/04/16/565590416.db2.gz KWCTZEZHPQKIBW-PXAZEXFGSA-N 0 0 397.269 3.433 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408004234 565590474 /nfs/dbraw/zinc/59/04/74/565590474.db2.gz KWCTZEZHPQKIBW-YVEFUNNKSA-N 0 0 397.269 3.433 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408004228 565590533 /nfs/dbraw/zinc/59/05/33/565590533.db2.gz KWCTZEZHPQKIBW-SJCJKPOMSA-N 0 0 397.269 3.433 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CC3CC3)c3ccccc32)s1 ZINC000173850736 565593701 /nfs/dbraw/zinc/59/37/01/565593701.db2.gz XNOGMMRTMSPMJD-UHFFFAOYSA-N 0 0 379.463 3.082 10 5 GGBERN O=[N+]([O-])c1ccc(N[C@@H]2CS(=O)(=O)c3ccccc32)c(Br)c1 ZINC000319104080 565598232 /nfs/dbraw/zinc/59/82/32/565598232.db2.gz WNZXLVPDYWSQIH-CYBMUJFWSA-N 0 0 383.223 3.298 10 5 GGBERN O=C(c1n[nH]cc1[N+](=O)[O-])N(Cc1cccc(Br)c1)CC1CC1 ZINC000191416279 565602610 /nfs/dbraw/zinc/60/26/10/565602610.db2.gz HENNHYMSQTUSPK-UHFFFAOYSA-N 0 0 379.214 3.133 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000408387014 565607607 /nfs/dbraw/zinc/60/76/07/565607607.db2.gz TYVOYTNNRLZZJE-MRXNPFEDSA-N 0 0 383.242 3.390 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2ccccc2Br)n1 ZINC000191502536 565608933 /nfs/dbraw/zinc/60/89/33/565608933.db2.gz MYNZKZBVHZEBKZ-SNVBAGLBSA-N 0 0 381.230 3.407 10 5 GGBERN O=C(COc1c(Br)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000322913308 565611566 /nfs/dbraw/zinc/61/15/66/565611566.db2.gz KAEREJHUOALMIF-UHFFFAOYSA-N 0 0 380.150 3.348 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cc(Br)cc2OC)n1 ZINC000191553322 565612328 /nfs/dbraw/zinc/61/23/28/565612328.db2.gz WBQQNAZKBUJUBD-UHFFFAOYSA-N 0 0 383.202 3.143 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Sc3nncs3)cc2)n1 ZINC000191554116 565612443 /nfs/dbraw/zinc/61/24/43/565612443.db2.gz FHERYUTYRCDTOD-UHFFFAOYSA-N 0 0 376.423 3.066 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCCc2ccc(Br)cc2F)n1 ZINC000191619668 565618075 /nfs/dbraw/zinc/61/80/75/565618075.db2.gz GRVIKXIHHXHVPR-UHFFFAOYSA-N 0 0 399.220 3.075 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCCOc2ccc(Cl)cc2Cl)n1 ZINC000191789125 565631930 /nfs/dbraw/zinc/63/19/30/565631930.db2.gz XMQWDUUMELHSJV-UHFFFAOYSA-N 0 0 387.223 3.317 10 5 GGBERN O=C(c1cc2sccc2s1)N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000409711650 565636953 /nfs/dbraw/zinc/63/69/53/565636953.db2.gz LYRADJUEZRKTHS-UHFFFAOYSA-N 0 0 380.476 3.290 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCc1cccc2[nH]ccc21 ZINC000409921440 565649987 /nfs/dbraw/zinc/64/99/87/565649987.db2.gz HPZXNDOLMQPVOR-UHFFFAOYSA-N 0 0 379.825 3.251 10 5 GGBERN CO[C@@]1(C)CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000280222641 565659927 /nfs/dbraw/zinc/65/99/27/565659927.db2.gz KZDGTJGQLMEBQH-HNNXBMFYSA-N 0 0 376.862 3.136 10 5 GGBERN O=C(Nc1ccc(N2CCC2=O)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000410247699 565672362 /nfs/dbraw/zinc/67/23/62/565672362.db2.gz VHMRWBIXWKOMHR-UHFFFAOYSA-N 0 0 390.193 3.346 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(Cn2cccn2)CC1 ZINC000192354472 565681808 /nfs/dbraw/zinc/68/18/08/565681808.db2.gz UMSNKUZGICZEFT-UHFFFAOYSA-N 0 0 393.241 3.106 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCO[C@@H](c2nccs2)C1 ZINC000192348934 565682414 /nfs/dbraw/zinc/68/24/14/565682414.db2.gz FYBBQWHZXSWXLI-LLVKDONJSA-N 0 0 398.238 3.028 10 5 GGBERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192362561 565683164 /nfs/dbraw/zinc/68/31/64/565683164.db2.gz IAIGOPONTHYDCH-SNVBAGLBSA-N 0 0 399.241 3.161 10 5 GGBERN C[C@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000175192946 565683191 /nfs/dbraw/zinc/68/31/91/565683191.db2.gz GWELQFBJTKEFNY-UWVGGRQHSA-N 0 0 388.205 3.460 10 5 GGBERN C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1n1ccnc1 ZINC000192366661 565683290 /nfs/dbraw/zinc/68/32/90/565683290.db2.gz CVSDWMLIBBQCDC-SMDDNHRTSA-N 0 0 393.241 3.277 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)n1 ZINC000410399580 565683383 /nfs/dbraw/zinc/68/33/83/565683383.db2.gz VSKSCAGLEFHRPL-UHFFFAOYSA-N 0 0 378.694 3.175 10 5 GGBERN Cc1ccc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CCO2)o1 ZINC000192374347 565683763 /nfs/dbraw/zinc/68/37/63/565683763.db2.gz NFPDWGCEDNQXME-AWEZNQCLSA-N 0 0 395.209 3.472 10 5 GGBERN Cc1c(NC(=O)N[C@@H](C)c2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000280642178 565685993 /nfs/dbraw/zinc/68/59/93/565685993.db2.gz BGDFPCBSGYTNMG-VIFPVBQESA-N 0 0 382.218 3.282 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2CCC[C@H]2CCO)cc(Br)cc1[N+](=O)[O-] ZINC000280684180 565687869 /nfs/dbraw/zinc/68/78/69/565687869.db2.gz GDVNWHQXCDYQPP-CMPLNLGQSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2CCC[C@@H]2CCO)cc(Br)cc1[N+](=O)[O-] ZINC000280684189 565688094 /nfs/dbraw/zinc/68/80/94/565688094.db2.gz GDVNWHQXCDYQPP-ZYHUDNBSSA-N 0 0 386.246 3.338 10 5 GGBERN COCC1=CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000280682427 565688513 /nfs/dbraw/zinc/68/85/13/565688513.db2.gz FYMDJLIIEYASFC-UHFFFAOYSA-N 0 0 384.230 3.476 10 5 GGBERN Cc1ccc([C@H](O)CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)o1 ZINC000280756296 565693356 /nfs/dbraw/zinc/69/33/56/565693356.db2.gz NBLVTYJZXDQYON-CYBMUJFWSA-N 0 0 398.213 3.422 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)n1 ZINC000280754464 565693977 /nfs/dbraw/zinc/69/39/77/565693977.db2.gz QDSACMBXPDOOIV-LBPRGKRZSA-N 0 0 397.204 3.207 10 5 GGBERN COC[C@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000175348008 565694721 /nfs/dbraw/zinc/69/47/21/565694721.db2.gz YDLSPUUFNYJCNK-ZDUSSCGKSA-N 0 0 388.829 3.124 10 5 GGBERN Cc1c(NC(=O)N2CC[C@H](O)C(C)(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280791013 565695550 /nfs/dbraw/zinc/69/55/50/565695550.db2.gz QCSGKSWOHJHNBB-ZDUSSCGKSA-N 0 0 386.246 3.290 10 5 GGBERN Cc1c(NC(=O)N[C@H](C)Cn2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000280845669 565700074 /nfs/dbraw/zinc/70/00/74/565700074.db2.gz WSMFYWDFSVFNOX-SECBINFHSA-N 0 0 382.218 3.072 10 5 GGBERN Cc1c(NC(=O)NCCCn2ccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000280865127 565700984 /nfs/dbraw/zinc/70/09/84/565700984.db2.gz YIOQQKAESXSNBJ-UHFFFAOYSA-N 0 0 382.218 3.074 10 5 GGBERN CCc1cnc(CN(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000175468670 565701865 /nfs/dbraw/zinc/70/18/65/565701865.db2.gz OBMPOYVSKRRMCT-UHFFFAOYSA-N 0 0 389.886 3.396 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOC[C@@H]1CC1CCC1 ZINC000410996358 565703498 /nfs/dbraw/zinc/70/34/98/565703498.db2.gz KTOANVAIAQNJMV-ZDUSSCGKSA-N 0 0 383.242 3.389 10 5 GGBERN Cc1nc([C@@](C)(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C2CC2)no1 ZINC000410981826 565703588 /nfs/dbraw/zinc/70/35/88/565703588.db2.gz VLFFQSJEPWVPCB-HNNXBMFYSA-N 0 0 395.213 3.104 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(c2ccc(Br)cc2)C2CC2)n1 ZINC000411043347 565706101 /nfs/dbraw/zinc/70/61/01/565706101.db2.gz GPXWVASNPPFLOE-UHFFFAOYSA-N 0 0 379.214 3.383 10 5 GGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000281010288 565707768 /nfs/dbraw/zinc/70/77/68/565707768.db2.gz FGCOSPARYRUEAX-OAHLLOKOSA-N 0 0 393.241 3.458 10 5 GGBERN Nc1nccc([C@@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000192757696 565709135 /nfs/dbraw/zinc/70/91/35/565709135.db2.gz PDOWYOGMQRNKFV-SNVBAGLBSA-N 0 0 378.230 3.114 10 5 GGBERN CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330663928 565717719 /nfs/dbraw/zinc/71/77/19/565717719.db2.gz XWZSFDFSWAEKAA-LBPRGKRZSA-N 0 0 376.862 3.218 10 5 GGBERN COC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000192929214 565719751 /nfs/dbraw/zinc/71/97/51/565719751.db2.gz KTIZZOFVRXIDJR-INIZCTEOSA-N 0 0 384.841 3.055 10 5 GGBERN Cc1sc(C(=O)NCc2ccncc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000281241647 565720279 /nfs/dbraw/zinc/72/02/79/565720279.db2.gz KXQNAHQVEDJROW-UHFFFAOYSA-N 0 0 375.328 3.231 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)s1 ZINC000175747913 565721430 /nfs/dbraw/zinc/72/14/30/565721430.db2.gz OYSDLGKWKSCNAA-UHFFFAOYSA-N 0 0 395.487 3.301 10 5 GGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000281330889 565724877 /nfs/dbraw/zinc/72/48/77/565724877.db2.gz QRWALBMEAPWEPL-OAHLLOKOSA-N 0 0 393.241 3.458 10 5 GGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000330854923 565726277 /nfs/dbraw/zinc/72/62/77/565726277.db2.gz OZCDOAVECLXGHZ-ZIAGYGMSSA-N 0 0 385.258 3.226 10 5 GGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000330854922 565726373 /nfs/dbraw/zinc/72/63/73/565726373.db2.gz OZCDOAVECLXGHZ-UONOGXRCSA-N 0 0 385.258 3.226 10 5 GGBERN CC(C)(C)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330854918 565726556 /nfs/dbraw/zinc/72/65/56/565726556.db2.gz OZCDOAVECLXGHZ-KBPBESRZSA-N 0 0 385.258 3.226 10 5 GGBERN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000281643302 565740018 /nfs/dbraw/zinc/74/00/18/565740018.db2.gz QUWDKHHNEBTRNI-ZETCQYMHSA-N 0 0 375.606 3.062 10 5 GGBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176010745 565740912 /nfs/dbraw/zinc/74/09/12/565740912.db2.gz UXLKGZCMFSQLDA-VIFPVBQESA-N 0 0 395.257 3.069 10 5 GGBERN CN(C(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000193480227 565754977 /nfs/dbraw/zinc/75/49/77/565754977.db2.gz CNRNMXJEMSXUAL-HNNXBMFYSA-N 0 0 377.194 3.324 10 5 GGBERN COC(=O)Cc1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176189911 565755710 /nfs/dbraw/zinc/75/57/10/565755710.db2.gz CSRSACUWPKHSOQ-UHFFFAOYSA-N 0 0 393.193 3.325 10 5 GGBERN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000412355480 565784103 /nfs/dbraw/zinc/78/41/03/565784103.db2.gz AHIWASIVXZSMKP-QCZZGDTMSA-N 0 0 391.225 3.128 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000194053378 565791476 /nfs/dbraw/zinc/79/14/76/565791476.db2.gz JZCNONWIUIMEJZ-LBPRGKRZSA-N 0 0 378.230 3.228 10 5 GGBERN Cc1sc(C(=O)NCCC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000176980254 565819669 /nfs/dbraw/zinc/81/96/69/565819669.db2.gz RGLUKBHRIGFXPA-UHFFFAOYSA-N 0 0 379.404 3.359 10 5 GGBERN COc1cccc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000194895208 565845814 /nfs/dbraw/zinc/84/58/14/565845814.db2.gz ROVGWSGOKROBQS-UHFFFAOYSA-N 0 0 382.463 3.233 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3c3ccc(Br)cn3)nn21 ZINC000413374451 565849355 /nfs/dbraw/zinc/84/93/55/565849355.db2.gz LOGBYQVUBWUZOY-GFCCVEGCSA-N 0 0 389.213 3.137 10 5 GGBERN C[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1cccnc1 ZINC000284318027 565849392 /nfs/dbraw/zinc/84/93/92/565849392.db2.gz AZGFEYAIKBLKIJ-LLVKDONJSA-N 0 0 390.237 3.441 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3c3ccc(Br)cn3)nn21 ZINC000413374452 565849645 /nfs/dbraw/zinc/84/96/45/565849645.db2.gz LOGBYQVUBWUZOY-LBPRGKRZSA-N 0 0 389.213 3.137 10 5 GGBERN CC1(C)Oc2ccsc2[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1O ZINC000413420868 565851448 /nfs/dbraw/zinc/85/14/48/565851448.db2.gz JWJLZSFCOYNWKQ-PWSUYJOCSA-N 0 0 378.435 3.346 10 5 GGBERN COC(=O)[C@@H]1CSCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000413604418 565862377 /nfs/dbraw/zinc/86/23/77/565862377.db2.gz IYKYRZNWGIQOLS-LBPRGKRZSA-N 0 0 379.463 3.061 10 5 GGBERN Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(=O)[nH]1 ZINC000284651168 565863442 /nfs/dbraw/zinc/86/34/42/565863442.db2.gz XSEQRKFWZYVPNX-UHFFFAOYSA-N 0 0 394.225 3.313 10 5 GGBERN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000284722551 565866966 /nfs/dbraw/zinc/86/69/66/565866966.db2.gz BBKWHCDHRLMYIY-SNVBAGLBSA-N 0 0 382.463 3.249 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(Br)cccc2C1 ZINC000195464500 565886100 /nfs/dbraw/zinc/88/61/00/565886100.db2.gz FSJMHPUGUQEYNW-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(I)cc1 ZINC000195520188 565889222 /nfs/dbraw/zinc/88/92/22/565889222.db2.gz SDFXSWFSULIUJX-UHFFFAOYSA-N 0 0 383.145 3.155 10 5 GGBERN O=C(C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000198174210 565893464 /nfs/dbraw/zinc/89/34/64/565893464.db2.gz BZRJSOPQQVSTEP-UHFFFAOYSA-N 0 0 382.258 3.196 10 5 GGBERN Cc1[nH]c2ccccc2c1C(=O)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000178099368 565896423 /nfs/dbraw/zinc/89/64/23/565896423.db2.gz MHBQZOOMYMZLAH-UHFFFAOYSA-N 0 0 390.193 3.192 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000178153994 565902132 /nfs/dbraw/zinc/90/21/32/565902132.db2.gz OTBZMTKBJNALHZ-UHFFFAOYSA-N 0 0 380.173 3.403 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285423173 565905650 /nfs/dbraw/zinc/90/56/50/565905650.db2.gz VXNIINKFVXTWDN-GFCCVEGCSA-N 0 0 384.845 3.196 10 5 GGBERN CCOC1CC2(C1)CCN(S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C2 ZINC000285592810 565915676 /nfs/dbraw/zinc/91/56/76/565915676.db2.gz LPAOWCFYHIAPDD-UHFFFAOYSA-N 0 0 388.873 3.136 10 5 GGBERN Cn1nccc1C1=CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000285748744 565924433 /nfs/dbraw/zinc/92/44/33/565924433.db2.gz QFEVDRKKWNVQRT-UHFFFAOYSA-N 0 0 391.225 3.020 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000414458796 565935798 /nfs/dbraw/zinc/93/57/98/565935798.db2.gz YSNYNBIKLRSIKP-LLVKDONJSA-N 0 0 395.384 3.250 10 5 GGBERN O=C(Nc1ccc(I)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236563079 565938252 /nfs/dbraw/zinc/93/82/52/565938252.db2.gz CKRCPIRUHJRBBP-UHFFFAOYSA-N 0 0 384.129 3.157 10 5 GGBERN O=C(Nc1cccc(I)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236563314 565938471 /nfs/dbraw/zinc/93/84/71/565938471.db2.gz RONZJLAMLUWXSL-UHFFFAOYSA-N 0 0 384.129 3.157 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000178834053 565940679 /nfs/dbraw/zinc/94/06/79/565940679.db2.gz HKVTUVYUEDAWBK-UHFFFAOYSA-N 0 0 376.221 3.182 10 5 GGBERN CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000414478374 565941436 /nfs/dbraw/zinc/94/14/36/565941436.db2.gz OVCBOZMTDSAUTH-ZDUSSCGKSA-N 0 0 377.344 3.008 10 5 GGBERN Cc1c(Br)cc(C(=O)NCc2ccc(CO)c(F)c2)cc1[N+](=O)[O-] ZINC000178846109 565941711 /nfs/dbraw/zinc/94/17/11/565941711.db2.gz ZLSOIDJFVVCHOQ-UHFFFAOYSA-N 0 0 397.200 3.227 10 5 GGBERN Cc1noc(C(C)(C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000286895191 565984595 /nfs/dbraw/zinc/98/45/95/565984595.db2.gz YSWLEECWFAPFLD-UHFFFAOYSA-N 0 0 398.217 3.414 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCCOCc2ccccc2)s1 ZINC000179577694 565990271 /nfs/dbraw/zinc/99/02/71/565990271.db2.gz PCAVDWDIZZMYAY-UHFFFAOYSA-N 0 0 384.479 3.469 10 5 GGBERN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000246251348 566022885 /nfs/dbraw/zinc/02/28/85/566022885.db2.gz SOQROTIYNASWMT-GXTWGEPZSA-N 0 0 382.463 3.115 10 5 GGBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000287830720 566042756 /nfs/dbraw/zinc/04/27/56/566042756.db2.gz QYDQLOIQDZASEM-VIFPVBQESA-N 0 0 395.213 3.415 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cncc(Cl)c1Cl ZINC000180291267 566052242 /nfs/dbraw/zinc/05/22/42/566052242.db2.gz KPSIDFFXPYWOMB-UHFFFAOYSA-N 0 0 378.193 3.106 10 5 GGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC(c2ccccn2)CC1 ZINC000364522417 566056016 /nfs/dbraw/zinc/05/60/16/566056016.db2.gz GBSAZCHWIBNVTM-UHFFFAOYSA-N 0 0 381.841 3.212 10 5 GGBERN Cc1cnc([C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C2CC2)s1 ZINC000416405051 566063726 /nfs/dbraw/zinc/06/37/26/566063726.db2.gz AYUNILOFEMNDJI-OAHLLOKOSA-N 0 0 381.479 3.406 10 5 GGBERN O=[N+]([O-])c1cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)ccc1Br ZINC000364680316 566063982 /nfs/dbraw/zinc/06/39/82/566063982.db2.gz XBLXOBVPEVLQBV-OAHLLOKOSA-N 0 0 388.225 3.355 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)c(C)cc1[N+](=O)[O-] ZINC000416425303 566067574 /nfs/dbraw/zinc/06/75/74/566067574.db2.gz CWZJYNYAMYXWFS-CQSZACIVSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1cnn([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)c1 ZINC000180562265 566072294 /nfs/dbraw/zinc/07/22/94/566072294.db2.gz SKCWORCYYFBBHS-LBPRGKRZSA-N 0 0 393.241 3.340 10 5 GGBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000365077435 566082062 /nfs/dbraw/zinc/08/20/62/566082062.db2.gz MLNDVXSPIFCRDY-GJZGRUSLSA-N 0 0 382.203 3.027 10 5 GGBERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc([N+](=O)[O-])c1Br ZINC000248756917 566088848 /nfs/dbraw/zinc/08/88/48/566088848.db2.gz HSMUMNQKOLRBTE-LERXQTSPSA-N 0 0 381.226 3.045 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000416574816 566089589 /nfs/dbraw/zinc/08/95/89/566089589.db2.gz YVKZCWMEQZPVPP-CYBMUJFWSA-N 0 0 395.264 3.091 10 5 GGBERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1Br ZINC000248845344 566090189 /nfs/dbraw/zinc/09/01/89/566090189.db2.gz RKRXZVZXAFFZHF-NILFDRSVSA-N 0 0 395.253 3.435 10 5 GGBERN C[C@@H]1CC(C)(C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000416612126 566096081 /nfs/dbraw/zinc/09/60/81/566096081.db2.gz CWEGMRCPIWCTCB-SECBINFHSA-N 0 0 377.260 3.166 10 5 GGBERN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000249204068 566099620 /nfs/dbraw/zinc/09/96/20/566099620.db2.gz RNNMSPXIIJLAPC-MKPLZMMCSA-N 0 0 389.633 3.308 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)s1 ZINC000416656672 566101148 /nfs/dbraw/zinc/10/11/48/566101148.db2.gz XLFAQNCQHMCGIA-LBPRGKRZSA-N 0 0 388.417 3.330 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249495312 566103401 /nfs/dbraw/zinc/10/34/01/566103401.db2.gz ZPWQPYUFHYTLNR-JQWIXIFHSA-N 0 0 384.255 3.026 10 5 GGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1cccc(Br)c1 ZINC000181088250 566111817 /nfs/dbraw/zinc/11/18/17/566111817.db2.gz HHXZBRWOWVJFCN-MRXNPFEDSA-N 0 0 393.237 3.140 10 5 GGBERN Cc1c(CC(=O)N[C@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181098817 566114929 /nfs/dbraw/zinc/11/49/29/566114929.db2.gz SVOXJIUCZONHKH-OAHLLOKOSA-N 0 0 393.237 3.058 10 5 GGBERN Cc1cc(C(=O)N[C@@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000181129641 566118153 /nfs/dbraw/zinc/11/81/53/566118153.db2.gz LLYCNZKYMJMBID-AWEZNQCLSA-N 0 0 379.210 3.129 10 5 GGBERN Cc1c(NC(=O)N[C@H](C)c2csnn2)cc(Br)cc1[N+](=O)[O-] ZINC000417082996 566123538 /nfs/dbraw/zinc/12/35/38/566123538.db2.gz ZBCNUFHIJAUXKX-SSDOTTSWSA-N 0 0 386.231 3.400 10 5 GGBERN Cn1ncc2c1CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000417102027 566124526 /nfs/dbraw/zinc/12/45/26/566124526.db2.gz AJDUONFADITOJZ-UHFFFAOYSA-N 0 0 394.229 3.071 10 5 GGBERN O=C(NCc1nnc(C2CC2)s1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000417108895 566124688 /nfs/dbraw/zinc/12/46/88/566124688.db2.gz JCOLXNOMHYQXID-UHFFFAOYSA-N 0 0 398.242 3.408 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000289692249 566135171 /nfs/dbraw/zinc/13/51/71/566135171.db2.gz NWUYPRSPNXIINI-QPUJVOFHSA-N 0 0 381.738 3.415 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(Cl)cn1 ZINC000181640680 566155001 /nfs/dbraw/zinc/15/50/01/566155001.db2.gz LXIPRBXOKLUJAD-UHFFFAOYSA-N 0 0 384.617 3.265 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CCc3c[nH]nc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366728642 566166179 /nfs/dbraw/zinc/16/61/79/566166179.db2.gz SODBVXDJUTYHLZ-NSHDSACASA-N 0 0 394.229 3.068 10 5 GGBERN CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1Cl ZINC000181860886 566169160 /nfs/dbraw/zinc/16/91/60/566169160.db2.gz PWYLBWGQBKPIBJ-UHFFFAOYSA-N 0 0 386.832 3.293 10 5 GGBERN COC(=O)c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1Br ZINC000182005671 566178156 /nfs/dbraw/zinc/17/81/56/566178156.db2.gz RIUWKEXBDXNCCM-UHFFFAOYSA-N 0 0 393.193 3.325 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2cccc(Br)c2)n1 ZINC000367572111 566206825 /nfs/dbraw/zinc/20/68/25/566206825.db2.gz ZICZMLQHHOKXFE-LBPRGKRZSA-N 0 0 379.214 3.068 10 5 GGBERN CS(=O)(=O)CC[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000367774009 566215517 /nfs/dbraw/zinc/21/55/17/566215517.db2.gz XISOYZUWUQJQIS-GFCCVEGCSA-N 0 0 389.861 3.069 10 5 GGBERN CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000367774010 566216293 /nfs/dbraw/zinc/21/62/93/566216293.db2.gz XISOYZUWUQJQIS-LBPRGKRZSA-N 0 0 389.861 3.069 10 5 GGBERN Cn1cc([C@@H]2CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000182631747 566216592 /nfs/dbraw/zinc/21/65/92/566216592.db2.gz MTWAMCWYFMMHFH-ZDUSSCGKSA-N 0 0 380.857 3.438 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000182664278 566217816 /nfs/dbraw/zinc/21/78/16/566217816.db2.gz BQCMLVUKMVKWQG-BZNIZROVSA-N 0 0 383.242 3.125 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000367830958 566218972 /nfs/dbraw/zinc/21/89/72/566218972.db2.gz JOHGURDOLVGYRJ-DOMZBBRYSA-N 0 0 382.463 3.250 10 5 GGBERN CCOCc1nc([C@@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])no1 ZINC000291426624 566219473 /nfs/dbraw/zinc/21/94/73/566219473.db2.gz LGVBDZHDNYELJR-SSDOTTSWSA-N 0 0 389.195 3.312 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CCc3[nH]cnc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000367977485 566225845 /nfs/dbraw/zinc/22/58/45/566225845.db2.gz QHSOZLDIAGYKFI-JTQLQIEISA-N 0 0 394.229 3.068 10 5 GGBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2nccs2)C1 ZINC000182883503 566227591 /nfs/dbraw/zinc/22/75/91/566227591.db2.gz CYXGVHARCSMJNE-NSHDSACASA-N 0 0 385.442 3.067 10 5 GGBERN C[C@]12CCN(c3c(I)cncc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000418958146 566228928 /nfs/dbraw/zinc/22/89/28/566228928.db2.gz WTKJNFPNYOAZDL-KOLCDFICSA-N 0 0 395.147 3.076 10 5 GGBERN C[C@]12CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000291818179 566236180 /nfs/dbraw/zinc/23/61/80/566236180.db2.gz FRXKPVRFWXLHJV-YPMHNXCESA-N 0 0 382.335 3.073 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(Cc2ccccn2)C2CC2)c1 ZINC000183425321 566246604 /nfs/dbraw/zinc/24/66/04/566246604.db2.gz RTKKFBUKXXTBFY-UHFFFAOYSA-N 0 0 381.841 3.305 10 5 GGBERN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCCC23CCC3)c1 ZINC000368905197 566247609 /nfs/dbraw/zinc/24/76/09/566247609.db2.gz JQDPBSUJDMDPSR-UHFFFAOYSA-N 0 0 375.244 3.065 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000481812077 566253957 /nfs/dbraw/zinc/25/39/57/566253957.db2.gz HYKYWODNCRITRZ-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NCC[C@@H]1COc2ccccc2O1 ZINC000481834228 566256051 /nfs/dbraw/zinc/25/60/51/566256051.db2.gz ARGGKVCGHMXAOQ-LLVKDONJSA-N 0 0 380.198 3.394 10 5 GGBERN CCOC(=O)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555872514 566256552 /nfs/dbraw/zinc/25/65/52/566256552.db2.gz JOFOYPZLDCULSJ-SECBINFHSA-N 0 0 387.230 3.127 10 5 GGBERN CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000509062316 566258806 /nfs/dbraw/zinc/25/88/06/566258806.db2.gz DRNBCPBFCRWBFP-UHFFFAOYSA-N 0 0 389.593 3.385 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000599375609 566258931 /nfs/dbraw/zinc/25/89/31/566258931.db2.gz OMXHFVPJXDOOKS-GVDBMIGSSA-N 0 0 378.837 3.006 10 5 GGBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1csc(Br)c1 ZINC000509073141 566259341 /nfs/dbraw/zinc/25/93/41/566259341.db2.gz YYQJTIRKDSIVFN-UHFFFAOYSA-N 0 0 382.195 3.284 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599404723 566261586 /nfs/dbraw/zinc/26/15/86/566261586.db2.gz SKGWINOIVXIDSY-MNOVXSKESA-N 0 0 396.412 3.272 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000599413063 566261602 /nfs/dbraw/zinc/26/16/02/566261602.db2.gz VSUSZRALXVABES-HNNXBMFYSA-N 0 0 381.841 3.463 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccn2)C2CCC2)c(Cl)c1 ZINC000599411458 566262205 /nfs/dbraw/zinc/26/22/05/566262205.db2.gz IWGVDQKODOOYBA-MRXNPFEDSA-N 0 0 381.841 3.463 10 5 GGBERN O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445001267 566262688 /nfs/dbraw/zinc/26/26/88/566262688.db2.gz SSINNVJOVASUDT-NSHDSACASA-N 0 0 375.690 3.382 10 5 GGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000445004194 566263110 /nfs/dbraw/zinc/26/31/10/566263110.db2.gz MJNRFQKGCKYSMI-ZDUSSCGKSA-N 0 0 392.209 3.435 10 5 GGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000445004191 566263157 /nfs/dbraw/zinc/26/31/57/566263157.db2.gz MJNRFQKGCKYSMI-CYBMUJFWSA-N 0 0 392.209 3.435 10 5 GGBERN COc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(OC)c1 ZINC000599430120 566264420 /nfs/dbraw/zinc/26/44/20/566264420.db2.gz XAAHSKAXJABSAE-VIFPVBQESA-N 0 0 386.451 3.021 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000599452507 566266519 /nfs/dbraw/zinc/26/65/19/566266519.db2.gz QTHDKUJDOHTFGF-ZDUSSCGKSA-N 0 0 382.825 3.223 10 5 GGBERN COc1nc(C)c(Br)cc1-c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000556023623 566267034 /nfs/dbraw/zinc/26/70/34/566267034.db2.gz AOGQXDWGZRDFAL-UHFFFAOYSA-N 0 0 392.169 3.181 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC3(CC3)CC2)c(Br)c1 ZINC000599507727 566270306 /nfs/dbraw/zinc/27/03/06/566270306.db2.gz DTETZGQZQPWNHI-UHFFFAOYSA-N 0 0 389.271 3.312 10 5 GGBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599507223 566270887 /nfs/dbraw/zinc/27/08/87/566270887.db2.gz SNZYBFZRHMHSEJ-HZMBPMFUSA-N 0 0 389.271 3.311 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](c3ccc(O)cc3)C2)c(Cl)c1 ZINC000599509408 566271830 /nfs/dbraw/zinc/27/18/30/566271830.db2.gz LJECEQZROVIVFM-LBPRGKRZSA-N 0 0 382.825 3.132 10 5 GGBERN CC(C)[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000535028874 566272824 /nfs/dbraw/zinc/27/28/24/566272824.db2.gz XBYJNRJEAAVVAU-SNVBAGLBSA-N 0 0 388.205 3.318 10 5 GGBERN CC(C)Cn1ccnc1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599571288 566276004 /nfs/dbraw/zinc/27/60/04/566276004.db2.gz BCEJELPPOVZDPM-UHFFFAOYSA-N 0 0 381.230 3.140 10 5 GGBERN COc1cc(Br)ccc1[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000599573091 566276181 /nfs/dbraw/zinc/27/61/81/566276181.db2.gz MCRRGENXTFWDLF-HNNXBMFYSA-N 0 0 395.257 3.400 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462294354 566276653 /nfs/dbraw/zinc/27/66/53/566276653.db2.gz RZYJHZAPCLUWJZ-UHFFFAOYSA-N 0 0 384.816 3.484 10 5 GGBERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599634642 566280325 /nfs/dbraw/zinc/28/03/25/566280325.db2.gz FKPPPFZBDPBVKZ-SNVBAGLBSA-N 0 0 399.241 3.161 10 5 GGBERN Cc1ccccc1CCNC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556287147 566282102 /nfs/dbraw/zinc/28/21/02/566282102.db2.gz IMSNJILJYYSDRR-UHFFFAOYSA-N 0 0 392.253 3.437 10 5 GGBERN Cn1cc([N+](=O)[O-])c(-c2nc(C(C)(C)c3ccc(Br)cc3)no2)n1 ZINC000445390388 566285783 /nfs/dbraw/zinc/28/57/83/566285783.db2.gz HTLBKMNPHCJPMX-UHFFFAOYSA-N 0 0 392.213 3.467 10 5 GGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599702817 566287723 /nfs/dbraw/zinc/28/77/23/566287723.db2.gz UAURNOYSVNVFAX-SMDDNHRTSA-N 0 0 385.258 3.418 10 5 GGBERN CC1(C)CCC[C@@](O)(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599799213 566296262 /nfs/dbraw/zinc/29/62/62/566296262.db2.gz XGFASHPMWWFPJZ-INIZCTEOSA-N 0 0 385.258 3.418 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc3c(cccc3Br)[nH]2)n1 ZINC000445570170 566298492 /nfs/dbraw/zinc/29/84/92/566298492.db2.gz DFPNHCPINWHZMA-UHFFFAOYSA-N 0 0 389.169 3.289 10 5 GGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599894223 566300872 /nfs/dbraw/zinc/30/08/72/566300872.db2.gz UAGNBZDDUXFKFW-RYUDHWBXSA-N 0 0 376.210 3.286 10 5 GGBERN Cc1cn2c(n1)C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000599915982 566302452 /nfs/dbraw/zinc/30/24/52/566302452.db2.gz AJOWKLOMTFGSCG-SNVBAGLBSA-N 0 0 379.214 3.063 10 5 GGBERN O=C(Cc1noc(-c2ccc(Cl)s2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000445713160 566306938 /nfs/dbraw/zinc/30/69/38/566306938.db2.gz ANDGNFOUKVIGFN-UHFFFAOYSA-N 0 0 378.797 3.219 10 5 GGBERN CC(C)(C)c1ccc(NC(=O)Cn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000556481343 566307158 /nfs/dbraw/zinc/30/71/58/566307158.db2.gz MPVUMIPMGORPOO-UHFFFAOYSA-N 0 0 381.230 3.490 10 5 GGBERN O=C(Nc1c[nH]cc(Br)c1=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000535564182 566311334 /nfs/dbraw/zinc/31/13/34/566311334.db2.gz YSTIWHBHKBIRRJ-UHFFFAOYSA-N 0 0 378.138 3.044 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000462488391 566311445 /nfs/dbraw/zinc/31/14/45/566311445.db2.gz HVEUTSGFEYJFRU-GLQYFDAESA-N 0 0 388.873 3.039 10 5 GGBERN CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCCC2 ZINC000462504919 566314001 /nfs/dbraw/zinc/31/40/01/566314001.db2.gz SYUMNHDKKUSZDR-CHWSQXEVSA-N 0 0 388.511 3.405 10 5 GGBERN C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000600119631 566317886 /nfs/dbraw/zinc/31/78/86/566317886.db2.gz QXYWAJKPBOEWJO-XLKFXECMSA-N 0 0 393.184 3.242 10 5 GGBERN O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446027690 566324311 /nfs/dbraw/zinc/32/43/11/566324311.db2.gz GHQNIKWTLPGWMP-UHFFFAOYSA-N 0 0 395.194 3.320 10 5 GGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4CC[C@@H](C3)[S@]4=O)cs2)c1 ZINC000600209764 566325446 /nfs/dbraw/zinc/32/54/46/566325446.db2.gz VXTKCCJIVJUSGE-TWKFVSLJSA-N 0 0 377.491 3.204 10 5 GGBERN NC(=O)c1c(F)cc(Br)cc1NCCc1cccc([N+](=O)[O-])c1 ZINC000535790851 566328579 /nfs/dbraw/zinc/32/85/79/566328579.db2.gz IVLZQCNCQUQMFK-UHFFFAOYSA-N 0 0 382.189 3.250 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600272099 566329555 /nfs/dbraw/zinc/32/95/55/566329555.db2.gz PYNKYOLWAAPJPE-OLZOCXBDSA-N 0 0 385.283 3.396 10 5 GGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000600283107 566331144 /nfs/dbraw/zinc/33/11/44/566331144.db2.gz XYOWHMIXIFQPBY-UHFFFAOYSA-N 0 0 390.193 3.150 10 5 GGBERN Cc1[nH]nc(C(=O)N2CC3(CC3)c3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000600282239 566331208 /nfs/dbraw/zinc/33/12/08/566331208.db2.gz NCUHMGKKWGYVSP-UHFFFAOYSA-N 0 0 377.198 3.081 10 5 GGBERN COc1ncc(Br)cc1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600339356 566334542 /nfs/dbraw/zinc/33/45/42/566334542.db2.gz CVJBZSBOFSLEMZ-JTQLQIEISA-N 0 0 394.225 3.181 10 5 GGBERN CC1(C)CCC[C@@](CO)(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600367774 566335462 /nfs/dbraw/zinc/33/54/62/566335462.db2.gz WRFYIPTXFVYIDE-QGZVFWFLSA-N 0 0 399.285 3.347 10 5 GGBERN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600507324 566342029 /nfs/dbraw/zinc/34/20/29/566342029.db2.gz CPWSCDUDRIFAKV-ZDUSSCGKSA-N 0 0 393.241 3.377 10 5 GGBERN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000600521095 566343015 /nfs/dbraw/zinc/34/30/15/566343015.db2.gz MXTCSWNVFITQQU-HTQZYQBOSA-N 0 0 384.152 3.492 10 5 GGBERN Cc1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2=O)ccc1Br ZINC000462698706 566342988 /nfs/dbraw/zinc/34/29/88/566342988.db2.gz KJGVHZIPTJHVSO-AWEZNQCLSA-N 0 0 391.225 3.278 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCCOC1CCOCC1 ZINC000600534740 566344576 /nfs/dbraw/zinc/34/45/76/566344576.db2.gz OPSWOORERRJZFG-UHFFFAOYSA-N 0 0 397.225 3.480 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](CCO)CC1 ZINC000421110982 566345671 /nfs/dbraw/zinc/34/56/71/566345671.db2.gz PEMOJWRWQVGFCR-NSHDSACASA-N 0 0 386.246 3.374 10 5 GGBERN Cc1c(NC(=O)N2C[C@H](CO)C[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000421115501 566346797 /nfs/dbraw/zinc/34/67/97/566346797.db2.gz HOOZUKPXFARKFQ-GXSJLCMTSA-N 0 0 386.246 3.148 10 5 GGBERN Cc1c(NC(=O)N2C[C@@H](C)C[C@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000421115504 566346808 /nfs/dbraw/zinc/34/68/08/566346808.db2.gz HOOZUKPXFARKFQ-ONGXEEELSA-N 0 0 386.246 3.148 10 5 GGBERN Cc1n[nH]c(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000600595931 566349539 /nfs/dbraw/zinc/34/95/39/566349539.db2.gz RQTMKVVDJPDOQK-SKDRFNHKSA-N 0 0 393.241 3.407 10 5 GGBERN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600593588 566349626 /nfs/dbraw/zinc/34/96/26/566349626.db2.gz YGBVRCZIINRKGR-GXSJLCMTSA-N 0 0 379.214 3.099 10 5 GGBERN CSCCCN(c1cccnc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000600668072 566357011 /nfs/dbraw/zinc/35/70/11/566357011.db2.gz QXKZROMSEIXQEU-UHFFFAOYSA-N 0 0 381.479 3.247 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC(Cc2ccccc2Br)C1 ZINC000600754744 566362057 /nfs/dbraw/zinc/36/20/57/566362057.db2.gz HSWHDGOCZNNLQE-UHFFFAOYSA-N 0 0 376.210 3.067 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600743696 566362163 /nfs/dbraw/zinc/36/21/63/566362163.db2.gz FDPOOQHUERQGIJ-OAHLLOKOSA-N 0 0 384.219 3.459 10 5 GGBERN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc(OCCO)c1 ZINC000446715564 566364657 /nfs/dbraw/zinc/36/46/57/566364657.db2.gz TXWPHTYBZGSQBX-UHFFFAOYSA-N 0 0 395.209 3.289 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000600791705 566366935 /nfs/dbraw/zinc/36/69/35/566366935.db2.gz IVCFAQFJSHBAOT-UHFFFAOYSA-N 0 0 394.200 3.398 10 5 GGBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(C)cc1Br ZINC000557149095 566367037 /nfs/dbraw/zinc/36/70/37/566367037.db2.gz BFXFXVQCQZFKRG-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000557157883 566369103 /nfs/dbraw/zinc/36/91/03/566369103.db2.gz VHOMTRHIXXJGFI-CQSZACIVSA-N 0 0 398.257 3.333 10 5 GGBERN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000600838758 566369374 /nfs/dbraw/zinc/36/93/74/566369374.db2.gz QQKHZSQQCRODGV-UHFFFAOYSA-N 0 0 390.193 3.150 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(Sc2cc(C)ccc2[N+](=O)[O-])nc1 ZINC000446887742 566369767 /nfs/dbraw/zinc/36/97/67/566369767.db2.gz XXXCPTWSMWKCHV-UHFFFAOYSA-N 0 0 381.479 3.480 10 5 GGBERN Cc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000446939343 566371162 /nfs/dbraw/zinc/37/11/62/566371162.db2.gz NCZGHOGZBAUYPO-UHFFFAOYSA-N 0 0 389.227 3.079 10 5 GGBERN Cc1c(NC(=O)NC[C@@H]2CCOC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483332249 566372977 /nfs/dbraw/zinc/37/29/77/566372977.db2.gz IZRSVQVJGNAKII-KOLCDFICSA-N 0 0 386.246 3.460 10 5 GGBERN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC000536454882 566374363 /nfs/dbraw/zinc/37/43/63/566374363.db2.gz LNYGTTFLSLSWCI-NSHDSACASA-N 0 0 391.221 3.287 10 5 GGBERN Cc1ccsc1[C@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000536469546 566375739 /nfs/dbraw/zinc/37/57/39/566375739.db2.gz URASPMCVAPCLMN-LBPRGKRZSA-N 0 0 385.239 3.191 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1n[nH]nc1-c1ccccc1 ZINC000576774707 566378506 /nfs/dbraw/zinc/37/85/06/566378506.db2.gz JRSYAOICBOMFBG-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN COC[C@](C)(NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000510390966 566379322 /nfs/dbraw/zinc/37/93/22/566379322.db2.gz VTTXFFWQTRQESZ-LBPRGKRZSA-N 0 0 399.163 3.363 10 5 GGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000576827321 566381292 /nfs/dbraw/zinc/38/12/92/566381292.db2.gz YXYZAXHWPGGYQO-QGZVFWFLSA-N 0 0 382.507 3.443 10 5 GGBERN COc1ccc(CNC(=O)Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000510475887 566386447 /nfs/dbraw/zinc/38/64/47/566386447.db2.gz VQPUYKRYDQJONF-UHFFFAOYSA-N 0 0 385.239 3.286 10 5 GGBERN C[C@@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000576895287 566387659 /nfs/dbraw/zinc/38/76/59/566387659.db2.gz LSLPNGVGHPXFDZ-SECBINFHSA-N 0 0 375.328 3.048 10 5 GGBERN C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](c2ccsc2)O1 ZINC000601129614 566391828 /nfs/dbraw/zinc/39/18/28/566391828.db2.gz KXMGMBZXRNZFSF-WCBMZHEXSA-N 0 0 376.360 3.375 10 5 GGBERN C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccc([S@](C)=O)cc1 ZINC000601135952 566392039 /nfs/dbraw/zinc/39/20/39/566392039.db2.gz UHLSBRYBECCACS-SRENCEJNSA-N 0 0 376.360 3.258 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCOc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000447168110 566392160 /nfs/dbraw/zinc/39/21/60/566392160.db2.gz RBMOXANWIVTUDR-UHFFFAOYSA-N 0 0 386.788 3.283 10 5 GGBERN COCc1ncc2c(n1)CCN(c1cc(C)c([N+](=O)[O-])cc1Br)C2 ZINC000601208761 566395401 /nfs/dbraw/zinc/39/54/01/566395401.db2.gz JSZINBQNZXFAEO-UHFFFAOYSA-N 0 0 393.241 3.165 10 5 GGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000601190164 566395824 /nfs/dbraw/zinc/39/58/24/566395824.db2.gz RMMQAXJHRHUCPF-BQBZGAKWSA-N 0 0 376.257 3.259 10 5 GGBERN Cc1cc(N2CCC(CCO)(CCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000601227410 566397014 /nfs/dbraw/zinc/39/70/14/566397014.db2.gz NHVHFLFKWYRRGJ-UHFFFAOYSA-N 0 0 387.274 3.017 10 5 GGBERN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000463286159 566397472 /nfs/dbraw/zinc/39/74/72/566397472.db2.gz AWVRVMKHCDJSNX-UHFFFAOYSA-N 0 0 376.722 3.435 10 5 GGBERN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1c(F)cccc1Br ZINC000536740063 566398518 /nfs/dbraw/zinc/39/85/18/566398518.db2.gz YCZJFKBVGIFMIX-UHFFFAOYSA-N 0 0 379.141 3.293 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC000601327508 566400018 /nfs/dbraw/zinc/40/00/18/566400018.db2.gz SWUGISFERXBBEO-UHFFFAOYSA-N 0 0 388.511 3.467 10 5 GGBERN Cc1cc(S(=O)(=O)N2C[C@H]3CCCN3c3ccccc32)c([N+](=O)[O-])s1 ZINC000601303852 566400327 /nfs/dbraw/zinc/40/03/27/566400327.db2.gz IOHCFMGYHUPEDR-GFCCVEGCSA-N 0 0 379.463 3.142 10 5 GGBERN COc1cc2c(cc1F)CC[C@@H]2NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000510628041 566400527 /nfs/dbraw/zinc/40/05/27/566400527.db2.gz MIESAKYALGAHKB-LBPRGKRZSA-N 0 0 386.426 3.078 10 5 GGBERN C[C@@H]1C[C@@H](COc2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000447305512 566401223 /nfs/dbraw/zinc/40/12/23/566401223.db2.gz MDPZIJLYKKIDMS-ZJUUUORDSA-N 0 0 377.178 3.393 10 5 GGBERN C[C@@H]1C[C@H](COc2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000447305509 566401792 /nfs/dbraw/zinc/40/17/92/566401792.db2.gz MDPZIJLYKKIDMS-NXEZZACHSA-N 0 0 377.178 3.393 10 5 GGBERN COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601352860 566401918 /nfs/dbraw/zinc/40/19/18/566401918.db2.gz ZRYCHJUDJRDMRY-GFCCVEGCSA-N 0 0 382.463 3.152 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601386131 566402740 /nfs/dbraw/zinc/40/27/40/566402740.db2.gz XDXPDSOSTPXLDP-DZGCQCFKSA-N 0 0 382.463 3.021 10 5 GGBERN Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c([N+](=O)[O-])s1 ZINC000601370774 566403563 /nfs/dbraw/zinc/40/35/63/566403563.db2.gz WSTCGJTXPHWMGC-BXKDBHETSA-N 0 0 388.492 3.177 10 5 GGBERN Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c([N+](=O)[O-])s1 ZINC000601370777 566403647 /nfs/dbraw/zinc/40/36/47/566403647.db2.gz WSTCGJTXPHWMGC-SKDRFNHKSA-N 0 0 388.492 3.177 10 5 GGBERN Cc1cc(S(=O)(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c([N+](=O)[O-])s1 ZINC000601393831 566404904 /nfs/dbraw/zinc/40/49/04/566404904.db2.gz LHEQAQSWHFPRSZ-JTQLQIEISA-N 0 0 378.431 3.234 10 5 GGBERN Cc1nc([C@H]2CCCN2S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cs1 ZINC000601395442 566405311 /nfs/dbraw/zinc/40/53/11/566405311.db2.gz LFDCITBMOUXYPU-CYBMUJFWSA-N 0 0 385.442 3.333 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC(F)(c3ccccn3)CC2)c([N+](=O)[O-])s1 ZINC000601453431 566406200 /nfs/dbraw/zinc/40/62/00/566406200.db2.gz JTIMKMCKWBPYRO-UHFFFAOYSA-N 0 0 385.442 3.009 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCC(Cc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000601496336 566409986 /nfs/dbraw/zinc/40/99/86/566409986.db2.gz BMNBPOPLKCYYEY-UHFFFAOYSA-N 0 0 387.508 3.065 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000510804287 566413673 /nfs/dbraw/zinc/41/36/73/566413673.db2.gz UELUGXRFZBOJIF-WCQYABFASA-N 0 0 386.189 3.036 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC1(C(F)F)CC1 ZINC000510800465 566413703 /nfs/dbraw/zinc/41/37/03/566413703.db2.gz XECJFWFFPLCCNV-UHFFFAOYSA-N 0 0 396.131 3.035 10 5 GGBERN Cc1cc(COCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)on1 ZINC000510812244 566414890 /nfs/dbraw/zinc/41/48/90/566414890.db2.gz FMOGXZWJQFHXRC-UHFFFAOYSA-N 0 0 384.186 3.117 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(cccc3Br)s2)n1 ZINC000557771115 566415988 /nfs/dbraw/zinc/41/59/88/566415988.db2.gz SLVPXYPHUGZFHX-UHFFFAOYSA-N 0 0 396.226 3.436 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000601689450 566416947 /nfs/dbraw/zinc/41/69/47/566416947.db2.gz UXSMNDXZYIBBQD-UHFFFAOYSA-N 0 0 382.270 3.282 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000577239221 566418090 /nfs/dbraw/zinc/41/80/90/566418090.db2.gz TUTLZLLFFRGUEU-UHFFFAOYSA-N 0 0 390.795 3.356 10 5 GGBERN CCn1nc(C)c(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)c1C ZINC000601700029 566419310 /nfs/dbraw/zinc/41/93/10/566419310.db2.gz GOILXPYMZBZVNP-UHFFFAOYSA-N 0 0 395.257 3.463 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1(CO)CC2(CCC2)C1 ZINC000447630018 566419452 /nfs/dbraw/zinc/41/94/52/566419452.db2.gz RGDWGIOUKYEFSA-UHFFFAOYSA-N 0 0 384.885 3.399 10 5 GGBERN C[C@@H](CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])[S@@](C)=O ZINC000447688257 566422890 /nfs/dbraw/zinc/42/28/90/566422890.db2.gz LCPJSIINVUXHQZ-PIMCKEEVSA-N 0 0 375.319 3.213 10 5 GGBERN Cc1cc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(Br)s1 ZINC000601776799 566423230 /nfs/dbraw/zinc/42/32/30/566423230.db2.gz IVGHPHBEMIZSED-HNNXBMFYSA-N 0 0 399.266 3.365 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H](CO)c3cccc(Br)c3)nc2c1 ZINC000447686431 566423370 /nfs/dbraw/zinc/42/33/70/566423370.db2.gz FKSSSDXYEWGALF-CQSZACIVSA-N 0 0 377.198 3.379 10 5 GGBERN Cc1cc(Br)c(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601777812 566423646 /nfs/dbraw/zinc/42/36/46/566423646.db2.gz LMHPIZOHJKNYOJ-OAHLLOKOSA-N 0 0 399.266 3.365 10 5 GGBERN Cc1cc(Br)c(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601777810 566424015 /nfs/dbraw/zinc/42/40/15/566424015.db2.gz LMHPIZOHJKNYOJ-HNNXBMFYSA-N 0 0 399.266 3.365 10 5 GGBERN C[C@@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1[N+](=O)[O-] ZINC000537162100 566427184 /nfs/dbraw/zinc/42/71/84/566427184.db2.gz LPGMBSOYKGAGFM-MRVPVSSYSA-N 0 0 385.161 3.019 10 5 GGBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1c(Br)cccc1[N+](=O)[O-] ZINC000601878047 566429832 /nfs/dbraw/zinc/42/98/32/566429832.db2.gz TXDFZDZWAVQWOT-ZFWWWQNUSA-N 0 0 383.242 3.435 10 5 GGBERN Cc1ncc([N+](=O)[O-])n1CC[S@@](=O)c1ccc(Br)c(Cl)c1 ZINC000601911057 566431433 /nfs/dbraw/zinc/43/14/33/566431433.db2.gz JNMMSZFGHMKDNT-OAQYLSRUSA-N 0 0 392.662 3.323 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2sccc2Br)no1 ZINC000601965041 566434740 /nfs/dbraw/zinc/43/47/40/566434740.db2.gz QMUUQZCADRFVAU-UHFFFAOYSA-N 0 0 384.215 3.216 10 5 GGBERN C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O ZINC000463798096 566435034 /nfs/dbraw/zinc/43/50/34/566435034.db2.gz ISURGNQJPBGZLF-OAHLLOKOSA-N 0 0 383.788 3.416 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(-c3cccnc3)c2)s1 ZINC000464189066 566453067 /nfs/dbraw/zinc/45/30/67/566453067.db2.gz WXWMNXMZIPUHFU-UHFFFAOYSA-N 0 0 375.431 3.197 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000511333589 566455645 /nfs/dbraw/zinc/45/56/45/566455645.db2.gz LUHCAVDZVXIAHS-AWEZNQCLSA-N 0 0 382.825 3.393 10 5 GGBERN CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1Br ZINC000558249034 566461337 /nfs/dbraw/zinc/46/13/37/566461337.db2.gz UIJJOABONJTYQP-UHFFFAOYSA-N 0 0 392.209 3.278 10 5 GGBERN Cc1cc(NC(=O)c2ncsc2Br)c2cc([N+](=O)[O-])ccc2n1 ZINC000577795432 566464692 /nfs/dbraw/zinc/46/46/92/566464692.db2.gz FMFCWJADCGRBTJ-UHFFFAOYSA-N 0 0 393.222 3.345 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000511547909 566472076 /nfs/dbraw/zinc/47/20/76/566472076.db2.gz WCRVOTVZKRVJCR-QGZVFWFLSA-N 0 0 395.253 3.363 10 5 GGBERN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)c2ccc(Br)cc21 ZINC000511574946 566474080 /nfs/dbraw/zinc/47/40/80/566474080.db2.gz LTQCWVAFAHECCK-UHFFFAOYSA-N 0 0 392.253 3.317 10 5 GGBERN C[C@](CO)(NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000511588704 566475585 /nfs/dbraw/zinc/47/55/85/566475585.db2.gz QIUSWHAXEHKUMA-MRXNPFEDSA-N 0 0 383.217 3.494 10 5 GGBERN COC[C@](C)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000464506022 566481109 /nfs/dbraw/zinc/48/11/09/566481109.db2.gz GQJVHHUMSUGVSL-ZDUSSCGKSA-N 0 0 384.738 3.101 10 5 GGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nnc2n1CCCCC2 ZINC000485193570 566481228 /nfs/dbraw/zinc/48/12/28/566481228.db2.gz GYXLDJOCTCHAKI-SECBINFHSA-N 0 0 381.234 3.243 10 5 GGBERN COC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000464506214 566481591 /nfs/dbraw/zinc/48/15/91/566481591.db2.gz DESJYNZLDVJIMQ-NSHDSACASA-N 0 0 385.136 3.055 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)c1ccc(Cl)s1 ZINC000558577658 566488808 /nfs/dbraw/zinc/48/88/08/566488808.db2.gz YZCHVAQWHSNQGJ-UHFFFAOYSA-N 0 0 377.809 3.333 10 5 GGBERN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000538041128 566489131 /nfs/dbraw/zinc/48/91/31/566489131.db2.gz VXLXAIOAZFDWHC-MEBBXXQBSA-N 0 0 394.225 3.258 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCN1CC(F)(F)F ZINC000464619004 566492531 /nfs/dbraw/zinc/49/25/31/566492531.db2.gz NFEHJBMFAUUBRM-NSHDSACASA-N 0 0 396.163 3.323 10 5 GGBERN C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000538138025 566495973 /nfs/dbraw/zinc/49/59/73/566495973.db2.gz MWUFLBXBGMQFSH-BONVTDFDSA-N 0 0 378.226 3.235 10 5 GGBERN CC(C)[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1nncn1C ZINC000485426914 566497561 /nfs/dbraw/zinc/49/75/61/566497561.db2.gz AJUQXFGCTQMUQN-GFCCVEGCSA-N 0 0 397.233 3.005 10 5 GGBERN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000512071064 566510516 /nfs/dbraw/zinc/51/05/16/566510516.db2.gz GVEATWKJYGVPMS-UHFFFAOYSA-N 0 0 381.479 3.113 10 5 GGBERN Cc1cccc(NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1[N+](=O)[O-] ZINC000558951814 566516794 /nfs/dbraw/zinc/51/67/94/566516794.db2.gz AQHOHDDRMNWJIR-ZDUSSCGKSA-N 0 0 381.479 3.087 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCc1ccc(Br)cc1Cl ZINC000559008371 566520060 /nfs/dbraw/zinc/52/00/60/566520060.db2.gz WXWCCAARVSVSDT-UHFFFAOYSA-N 0 0 399.632 3.159 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000538646685 566525013 /nfs/dbraw/zinc/52/50/13/566525013.db2.gz OOTYEAIREQGIOW-UHFFFAOYSA-N 0 0 380.198 3.100 10 5 GGBERN CSc1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000485769125 566526139 /nfs/dbraw/zinc/52/61/39/566526139.db2.gz JVQJCYNYSVNZOQ-STQMWFEESA-N 0 0 382.507 3.443 10 5 GGBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000559141445 566528513 /nfs/dbraw/zinc/52/85/13/566528513.db2.gz UUWFCUHEBQLXAS-LLVKDONJSA-N 0 0 395.384 3.196 10 5 GGBERN CN(Cc1ccc(Br)o1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485829690 566531432 /nfs/dbraw/zinc/53/14/32/566531432.db2.gz MMOCVUINXOYALV-UHFFFAOYSA-N 0 0 389.152 3.430 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[C@@H](O)C(F)(F)F ZINC000512412013 566532563 /nfs/dbraw/zinc/53/25/63/566532563.db2.gz RJJRXXZJMXSEOT-LLVKDONJSA-N 0 0 394.147 3.053 10 5 GGBERN CSc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000603572214 566534126 /nfs/dbraw/zinc/53/41/26/566534126.db2.gz RGLJQKSNIFNUQL-KGLIPLIRSA-N 0 0 382.507 3.443 10 5 GGBERN Cc1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000559282580 566538928 /nfs/dbraw/zinc/53/89/28/566538928.db2.gz PKCISRLRPORKCL-CYBMUJFWSA-N 0 0 382.210 3.484 10 5 GGBERN C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2ncsc2c1 ZINC000485954233 566542579 /nfs/dbraw/zinc/54/25/79/566542579.db2.gz IJPSMOAXJMIVFX-LLVKDONJSA-N 0 0 377.447 3.385 10 5 GGBERN C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485964547 566544441 /nfs/dbraw/zinc/54/44/41/566544441.db2.gz IUONDBIRXHNPRT-LLVKDONJSA-N 0 0 377.447 3.385 10 5 GGBERN C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000485967488 566544685 /nfs/dbraw/zinc/54/46/85/566544685.db2.gz QPOMICOVLOXGMO-LLVKDONJSA-N 0 0 377.447 3.385 10 5 GGBERN COC(=O)c1nc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)sc1C ZINC000486011376 566548829 /nfs/dbraw/zinc/54/88/29/566548829.db2.gz AGMCMJCOMNKHIW-UHFFFAOYSA-N 0 0 375.328 3.199 10 5 GGBERN COc1cc(CSCc2csc(CS(C)(=O)=O)n2)ccc1[N+](=O)[O-] ZINC000486171325 566564576 /nfs/dbraw/zinc/56/45/76/566564576.db2.gz NGBVBWGKJBVIRS-UHFFFAOYSA-N 0 0 388.492 3.038 10 5 GGBERN COC(=O)Cc1ccccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486189079 566566174 /nfs/dbraw/zinc/56/61/74/566566174.db2.gz PDROFFJJJOAPIM-UHFFFAOYSA-N 0 0 399.222 3.387 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)s1 ZINC000512912581 566568174 /nfs/dbraw/zinc/56/81/74/566568174.db2.gz GRRHFIMWPWCGFR-UHFFFAOYSA-N 0 0 381.262 3.484 10 5 GGBERN Cc1csc([C@@H]2CCCCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000604551152 566570832 /nfs/dbraw/zinc/57/08/32/566570832.db2.gz AXZMQCWOUNEFPT-AWEZNQCLSA-N 0 0 381.479 3.495 10 5 GGBERN Cn1ncc(Br)c1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506299 566571165 /nfs/dbraw/zinc/57/11/65/566571165.db2.gz ZAHYDCPGAIXOHR-CYBMUJFWSA-N 0 0 379.258 3.470 10 5 GGBERN C[C@H](NCC(=O)Nc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000539382221 566577575 /nfs/dbraw/zinc/57/75/75/566577575.db2.gz JOODKHRHCBFDEE-JTQLQIEISA-N 0 0 379.214 3.042 10 5 GGBERN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)NCCc1ccc(F)cc1 ZINC000559946541 566578270 /nfs/dbraw/zinc/57/82/70/566578270.db2.gz OPCUFNCAPZOILC-UHFFFAOYSA-N 0 0 396.216 3.267 10 5 GGBERN COc1ncc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1Br ZINC000424855646 566579698 /nfs/dbraw/zinc/57/96/98/566579698.db2.gz YOJOKUPLPSPDJS-UHFFFAOYSA-N 0 0 394.225 3.426 10 5 GGBERN CS(=O)(=O)c1cccnc1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000486471588 566591710 /nfs/dbraw/zinc/59/17/10/566591710.db2.gz RFGCEMYWXZUPNB-UHFFFAOYSA-N 0 0 375.328 3.024 10 5 GGBERN CS(=O)(=O)c1cccnc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000486477157 566592407 /nfs/dbraw/zinc/59/24/07/566592407.db2.gz GKNKKLJHRHOHGB-UHFFFAOYSA-N 0 0 375.328 3.024 10 5 GGBERN COC(=O)c1ncccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000560099558 566597694 /nfs/dbraw/zinc/59/76/94/566597694.db2.gz BOWIIOGAFKSDGI-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN CCc1ccc(C(=O)Nc2cn(CC)cc(Br)c2=O)cc1[N+](=O)[O-] ZINC000539745692 566600195 /nfs/dbraw/zinc/60/01/95/566600195.db2.gz FBIXVKYCUUXIOR-UHFFFAOYSA-N 0 0 394.225 3.354 10 5 GGBERN C[S@](=O)Cc1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000560127413 566600997 /nfs/dbraw/zinc/60/09/97/566600997.db2.gz AQBZCFOFCDUQOR-QHCPKHFHSA-N 0 0 397.250 3.488 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 ZINC000560141600 566602726 /nfs/dbraw/zinc/60/27/26/566602726.db2.gz GZJBYZYHJLNHGB-CQSZACIVSA-N 0 0 379.166 3.136 10 5 GGBERN COc1ccc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000466874473 566603673 /nfs/dbraw/zinc/60/36/73/566603673.db2.gz XRPJBZGEVXIXBM-UHFFFAOYSA-N 0 0 382.463 3.233 10 5 GGBERN CCC1(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000466905040 566607420 /nfs/dbraw/zinc/60/74/20/566607420.db2.gz CGWKNIDFNPNOEI-UHFFFAOYSA-N 0 0 376.862 3.042 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccc(F)c(F)c3C2)c(Cl)c1 ZINC000486683880 566612094 /nfs/dbraw/zinc/61/20/94/566612094.db2.gz LLEHXNKSVPEGKJ-UHFFFAOYSA-N 0 0 388.779 3.273 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(I)c(C)n1 ZINC000466970540 566612424 /nfs/dbraw/zinc/61/24/24/566612424.db2.gz DTGJPALMZDKDMO-UHFFFAOYSA-N 0 0 383.189 3.245 10 5 GGBERN C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ncc(Br)cn1 ZINC000486681879 566612483 /nfs/dbraw/zinc/61/24/83/566612483.db2.gz GHGHBEMMSBPANP-RKDXNWHRSA-N 0 0 397.204 3.267 10 5 GGBERN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000486700417 566613800 /nfs/dbraw/zinc/61/38/00/566613800.db2.gz SMUHLZAAGCVJBE-SSDOTTSWSA-N 0 0 385.605 3.292 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC(CC(F)F)C1 ZINC000425218763 566618710 /nfs/dbraw/zinc/61/87/10/566618710.db2.gz FJUPZHBNGYHKOV-UHFFFAOYSA-N 0 0 375.180 3.177 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000467042382 566619687 /nfs/dbraw/zinc/61/96/87/566619687.db2.gz CFACTQWYNFLWHR-CJNGLKHVSA-N 0 0 382.463 3.021 10 5 GGBERN O=C(NCCc1ccccc1Br)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000486756035 566619776 /nfs/dbraw/zinc/61/97/76/566619776.db2.gz BJKLFWZNWPILCC-UHFFFAOYSA-N 0 0 393.193 3.059 10 5 GGBERN C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ncc(Br)cn1 ZINC000486771652 566621015 /nfs/dbraw/zinc/62/10/15/566621015.db2.gz LUJBCGFVVJFKHF-MRVPVSSYSA-N 0 0 390.197 3.120 10 5 GGBERN Cc1sc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000467051033 566621364 /nfs/dbraw/zinc/62/13/64/566621364.db2.gz ZGTKOTINNKGFRL-UHFFFAOYSA-N 0 0 390.870 3.113 10 5 GGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(COC)cs1 ZINC000486806001 566623531 /nfs/dbraw/zinc/62/35/31/566623531.db2.gz SZNJJYDATHJEES-UHFFFAOYSA-N 0 0 383.451 3.189 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCC(c3ccc(C)nc3)CC2)cc1[N+](=O)[O-] ZINC000467076534 566624512 /nfs/dbraw/zinc/62/45/12/566624512.db2.gz VNGDPOBCZWDBDS-UHFFFAOYSA-N 0 0 381.479 3.236 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000467077315 566624592 /nfs/dbraw/zinc/62/45/92/566624592.db2.gz BCGLUZLZQJHITN-LYGAQUJYSA-N 0 0 382.463 3.196 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467086628 566626045 /nfs/dbraw/zinc/62/60/45/566626045.db2.gz VTQWKHSKBGITPH-UHFFFAOYSA-N 0 0 390.483 3.445 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H](O)CCc1ccccc1 ZINC000579624732 566626365 /nfs/dbraw/zinc/62/63/65/566626365.db2.gz CHOJHDVNJPIILO-HNNXBMFYSA-N 0 0 379.210 3.290 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCc1ccc(Cl)cc1 ZINC000513847667 566629478 /nfs/dbraw/zinc/62/94/78/566629478.db2.gz QLWCEDXUSQUNTR-UHFFFAOYSA-N 0 0 384.841 3.052 10 5 GGBERN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCC12CCC2 ZINC000579784153 566638851 /nfs/dbraw/zinc/63/88/51/566638851.db2.gz LWTBDWCJZXIDPH-UHFFFAOYSA-N 0 0 386.189 3.358 10 5 GGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000425414359 566641604 /nfs/dbraw/zinc/64/16/04/566641604.db2.gz CRYOVGBGKFDKOG-KBMXLJTQSA-N 0 0 385.258 3.126 10 5 GGBERN CCC1(CC)CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[S@]1=O ZINC000425434224 566643527 /nfs/dbraw/zinc/64/35/27/566643527.db2.gz PRGLLYPDHDZDIM-JOCHJYFZSA-N 0 0 389.315 3.480 10 5 GGBERN C[C@](CO)(NCc1ccc(Br)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000425455039 566644906 /nfs/dbraw/zinc/64/49/06/566644906.db2.gz FVMRQQKYUHGHQL-MRXNPFEDSA-N 0 0 381.226 3.060 10 5 GGBERN COC(=O)c1cc(C(C)(C)NCc2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000425449750 566645774 /nfs/dbraw/zinc/64/57/74/566645774.db2.gz TXIOABNORJONSV-UHFFFAOYSA-N 0 0 398.213 3.157 10 5 GGBERN CC[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000425467413 566647383 /nfs/dbraw/zinc/64/73/83/566647383.db2.gz BQFQLJMXLDYULE-GDBMZVCRSA-N 0 0 385.258 3.127 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000425490422 566648436 /nfs/dbraw/zinc/64/84/36/566648436.db2.gz KYGFXWZFWSRIEL-CABZTGNLSA-N 0 0 383.164 3.102 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000425490419 566649478 /nfs/dbraw/zinc/64/94/78/566649478.db2.gz KYGFXWZFWSRIEL-BXKDBHETSA-N 0 0 383.164 3.102 10 5 GGBERN O=C(Cc1ccc2n[nH]cc2c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560798692 566659328 /nfs/dbraw/zinc/65/93/28/566659328.db2.gz XBEOCLZPSUKGCT-UHFFFAOYSA-N 0 0 375.182 3.415 10 5 GGBERN CCO[C@H](CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(C)C ZINC000467770426 566663625 /nfs/dbraw/zinc/66/36/25/566663625.db2.gz MGXGKBVBBQYXMV-OAHLLOKOSA-N 0 0 378.878 3.286 10 5 GGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CCO[C@@]4(CCSC4)C3)cs2)c1 ZINC000514863957 566674575 /nfs/dbraw/zinc/67/45/75/566674575.db2.gz NXSBMDMNTBNMOG-KRWDZBQOSA-N 0 0 377.491 3.426 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000514996143 566684947 /nfs/dbraw/zinc/68/49/47/566684947.db2.gz PRQQMWPQBVQSKV-GJZGRUSLSA-N 0 0 382.507 3.200 10 5 GGBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000487650448 566685448 /nfs/dbraw/zinc/68/54/48/566685448.db2.gz VYGVRTIXTWAMJV-UHFFFAOYSA-N 0 0 377.813 3.131 10 5 GGBERN Cc1cc(N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c(Br)cc1[N+](=O)[O-] ZINC000450644762 566693313 /nfs/dbraw/zinc/69/33/13/566693313.db2.gz DRXVGEIAEMMMQM-YWPYICTPSA-N 0 0 385.258 3.032 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450650944 566694964 /nfs/dbraw/zinc/69/49/64/566694964.db2.gz DEXSZVRNVHPBCR-MLGOLLRUSA-N 0 0 396.216 3.057 10 5 GGBERN Cc1c(Br)cc(C(=O)NC2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000468341421 566696840 /nfs/dbraw/zinc/69/68/40/566696840.db2.gz LDENOWAHAGKGFL-UHFFFAOYSA-N 0 0 385.258 3.481 10 5 GGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cccc(Br)c1 ZINC000561377804 566699880 /nfs/dbraw/zinc/69/98/80/566699880.db2.gz AROHGGSEFSZIRO-UHFFFAOYSA-N 0 0 385.164 3.494 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ccccc3Br)no2)n1 ZINC000515252518 566700680 /nfs/dbraw/zinc/70/06/80/566700680.db2.gz WQSVHXIUZQHQES-UHFFFAOYSA-N 0 0 378.186 3.215 10 5 GGBERN CN(Cc1ccccc1)C(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000580534303 566702902 /nfs/dbraw/zinc/70/29/02/566702902.db2.gz GOLZSWYNYJZURG-UHFFFAOYSA-N 0 0 378.226 3.428 10 5 GGBERN COC1(c2ccccc2)CN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000561408533 566703419 /nfs/dbraw/zinc/70/34/19/566703419.db2.gz MOQPOFZPWVPYHX-UHFFFAOYSA-N 0 0 378.226 3.423 10 5 GGBERN Cc1c(Cc2nc([C@@H](C)n3cc(Br)cn3)no2)cccc1[N+](=O)[O-] ZINC000515300698 566704414 /nfs/dbraw/zinc/70/44/14/566704414.db2.gz XGHQMPQRTYHNPB-SNVBAGLBSA-N 0 0 392.213 3.445 10 5 GGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000450850133 566712664 /nfs/dbraw/zinc/71/26/64/566712664.db2.gz UTWGNXZWENPVGL-JTQLQIEISA-N 0 0 384.205 3.155 10 5 GGBERN C[C@H]1CN(CC(F)(F)F)CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000450867007 566713403 /nfs/dbraw/zinc/71/34/03/566713403.db2.gz GPXAZMJNDAKXMF-VIFPVBQESA-N 0 0 397.195 3.073 10 5 GGBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000580665350 566713519 /nfs/dbraw/zinc/71/35/19/566713519.db2.gz BKYZTWJAZHVODI-UHFFFAOYSA-N 0 0 379.214 3.133 10 5 GGBERN Cc1cc(N2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(Br)cc1[N+](=O)[O-] ZINC000450880654 566715305 /nfs/dbraw/zinc/71/53/05/566715305.db2.gz LJUYNAHLQDRLPK-PELKAZGASA-N 0 0 383.164 3.415 10 5 GGBERN O=C1CC[C@H](COc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCN1 ZINC000450895306 566717506 /nfs/dbraw/zinc/71/75/06/566717506.db2.gz IYVYGOHBMMBBFX-JTQLQIEISA-N 0 0 394.225 3.201 10 5 GGBERN O=C(C[C@H](O)Cc1ccccc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000488348222 566721939 /nfs/dbraw/zinc/72/19/39/566721939.db2.gz CKPGFSCXEDTUSR-OAHLLOKOSA-N 0 0 379.210 3.290 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1Br ZINC000468724528 566724423 /nfs/dbraw/zinc/72/44/23/566724423.db2.gz NHYIERLTDLTFRG-UHFFFAOYSA-N 0 0 399.266 3.415 10 5 GGBERN Cc1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426718040 566725003 /nfs/dbraw/zinc/72/50/03/566725003.db2.gz USMGPAITKKHIRH-OAHLLOKOSA-N 0 0 393.237 3.451 10 5 GGBERN Cc1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426718039 566725783 /nfs/dbraw/zinc/72/57/83/566725783.db2.gz USMGPAITKKHIRH-HNNXBMFYSA-N 0 0 393.237 3.451 10 5 GGBERN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000426758850 566727104 /nfs/dbraw/zinc/72/71/04/566727104.db2.gz JRLWKKNUAFFNQP-OAHLLOKOSA-N 0 0 379.210 3.143 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000608809428 566736459 /nfs/dbraw/zinc/73/64/59/566736459.db2.gz IHQIILUNBJLWSL-CABCVRRESA-N 0 0 376.210 3.347 10 5 GGBERN O=[N+]([O-])c1ncccc1NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000608856107 566738956 /nfs/dbraw/zinc/73/89/56/566738956.db2.gz LLDDYPMOHYKAJF-UHFFFAOYSA-N 0 0 375.186 3.150 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2ncc(Br)cc21 ZINC000541643165 566740007 /nfs/dbraw/zinc/74/00/07/566740007.db2.gz RRNCXKLLOJBJNA-UHFFFAOYSA-N 0 0 378.182 3.100 10 5 GGBERN CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000608875878 566740951 /nfs/dbraw/zinc/74/09/51/566740951.db2.gz ZOPDOFFPEAHOKF-CQSZACIVSA-N 0 0 384.841 3.214 10 5 GGBERN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCCc2sc(Cl)cc21 ZINC000488736753 566744643 /nfs/dbraw/zinc/74/46/43/566744643.db2.gz VZFPRCYUPPUHJZ-SNVBAGLBSA-N 0 0 387.870 3.447 10 5 GGBERN O=[N+]([O-])c1cnccc1NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000608974539 566745112 /nfs/dbraw/zinc/74/51/12/566745112.db2.gz HSUZKIXITYJJDI-LBPRGKRZSA-N 0 0 377.242 3.113 10 5 GGBERN Cc1sc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000608957660 566745239 /nfs/dbraw/zinc/74/52/39/566745239.db2.gz JHJHHXJFPXCIGU-CYBMUJFWSA-N 0 0 377.447 3.119 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000488763991 566746135 /nfs/dbraw/zinc/74/61/35/566746135.db2.gz JJARDIKOMSJRPY-ZDUSSCGKSA-N 0 0 378.841 3.113 10 5 GGBERN O=C(NCc1nccn1CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609042995 566747750 /nfs/dbraw/zinc/74/77/50/566747750.db2.gz PSVGMDKANBJAHJ-UHFFFAOYSA-N 0 0 377.710 3.329 10 5 GGBERN COCCN(Cc1scnc1C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000488814387 566749511 /nfs/dbraw/zinc/74/95/11/566749511.db2.gz ADDIDBVLRJTJMO-UHFFFAOYSA-N 0 0 381.479 3.127 10 5 GGBERN Cc1[nH]nc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC000609161239 566753009 /nfs/dbraw/zinc/75/30/09/566753009.db2.gz MTXREEMIVSFASJ-UHFFFAOYSA-N 0 0 378.694 3.473 10 5 GGBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(C(F)(F)F)cc1Br ZINC000581144141 566753818 /nfs/dbraw/zinc/75/38/18/566753818.db2.gz DAEZVDVVHQQHNP-UHFFFAOYSA-N 0 0 393.119 3.211 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000469081093 566760119 /nfs/dbraw/zinc/76/01/19/566760119.db2.gz WSRLNKDIPOQVFW-LLVKDONJSA-N 0 0 380.447 3.293 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000488965115 566760379 /nfs/dbraw/zinc/76/03/79/566760379.db2.gz BHHAEDVFWCKZSP-CHWSQXEVSA-N 0 0 397.250 3.192 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCC1CCCC1 ZINC000488971704 566760592 /nfs/dbraw/zinc/76/05/92/566760592.db2.gz MXPYHTJAUBCEIS-UHFFFAOYSA-N 0 0 377.260 3.216 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](O)COc2ccccc2Br)n1 ZINC000541935950 566761123 /nfs/dbraw/zinc/76/11/23/566761123.db2.gz KTJRASTXLKFBDO-GFCCVEGCSA-N 0 0 396.241 3.221 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000427282204 566762630 /nfs/dbraw/zinc/76/26/30/566762630.db2.gz SHSAYYMWRJYHKX-GHMZBOCLSA-N 0 0 389.271 3.168 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H](CO)c3ccc(Br)cc3)nc2c1 ZINC000489023733 566764838 /nfs/dbraw/zinc/76/48/38/566764838.db2.gz JBXBIMQGSGSJTG-AWEZNQCLSA-N 0 0 377.198 3.379 10 5 GGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1nc(C(F)(F)F)cs1 ZINC000609467268 566765281 /nfs/dbraw/zinc/76/52/81/566765281.db2.gz MZRASWLCTNWJQP-UHFFFAOYSA-N 0 0 376.316 3.271 10 5 GGBERN O=C(Nc1ccncc1Br)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541995593 566766792 /nfs/dbraw/zinc/76/67/92/566766792.db2.gz BFFDLNUKIAUEMO-UHFFFAOYSA-N 0 0 388.124 3.028 10 5 GGBERN Cc1nc2ccc(S(=O)(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2s1 ZINC000489071347 566767234 /nfs/dbraw/zinc/76/72/34/566767234.db2.gz IXHRVHQUPFXVNP-UHFFFAOYSA-N 0 0 375.431 3.264 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000609571630 566771653 /nfs/dbraw/zinc/77/16/53/566771653.db2.gz AZKVKBKMMQVSGX-LLVKDONJSA-N 0 0 386.861 3.374 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC(C)(C)OCC2(C)C)cc1[N+](=O)[O-] ZINC000609679313 566780736 /nfs/dbraw/zinc/78/07/36/566780736.db2.gz WNIQABNUVWTPIN-UHFFFAOYSA-N 0 0 376.862 3.135 10 5 GGBERN COC(=O)c1cc(C)nc(N(C)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000581505741 566782828 /nfs/dbraw/zinc/78/28/28/566782828.db2.gz ZDJCPCXVDNWLOB-UHFFFAOYSA-N 0 0 394.225 3.484 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(Br)c2F)n1 ZINC000489354519 566783892 /nfs/dbraw/zinc/78/38/92/566783892.db2.gz ADGDPCCDDRZQLA-UHFFFAOYSA-N 0 0 375.129 3.104 10 5 GGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCOC2(CCSCC2)C1 ZINC000542225981 566784160 /nfs/dbraw/zinc/78/41/60/566784160.db2.gz HXYVPQJQFYWJPC-CYBMUJFWSA-N 0 0 382.507 3.248 10 5 GGBERN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000609841105 566789592 /nfs/dbraw/zinc/78/95/92/566789592.db2.gz AMSGGZBBXKQYBL-SCZZXKLOSA-N 0 0 385.877 3.420 10 5 GGBERN Cc1nc2ccc(S(=O)(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2s1 ZINC000489490674 566792063 /nfs/dbraw/zinc/79/20/63/566792063.db2.gz CVNGFTFPHAMIOU-UHFFFAOYSA-N 0 0 375.431 3.264 10 5 GGBERN CS[C@@H]1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000451320824 566796130 /nfs/dbraw/zinc/79/61/30/566796130.db2.gz MJFDSFYZQGEUSS-CYBMUJFWSA-N 0 0 378.479 3.094 10 5 GGBERN Cc1cc(C)c(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c(=O)[nH]1 ZINC000610058963 566802177 /nfs/dbraw/zinc/80/21/77/566802177.db2.gz HFXBIQSYPJGHQU-UHFFFAOYSA-N 0 0 380.198 3.005 10 5 GGBERN CCc1ccc(S(=O)(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000610086529 566805283 /nfs/dbraw/zinc/80/52/83/566805283.db2.gz DWYUCABHSOKQLZ-UHFFFAOYSA-N 0 0 383.495 3.308 10 5 GGBERN Cc1c(Br)c(N2CC[C@@H](C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000542505394 566807002 /nfs/dbraw/zinc/80/70/02/566807002.db2.gz FQUPMQSXMFGDHP-SNVBAGLBSA-N 0 0 386.246 3.229 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2c(O)cccc2F)c1 ZINC000610254361 566818460 /nfs/dbraw/zinc/81/84/60/566818460.db2.gz NYYXYUBTLYDSLP-UHFFFAOYSA-N 0 0 391.174 3.003 10 5 GGBERN Cc1csc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1Br ZINC000489966523 566819331 /nfs/dbraw/zinc/81/93/31/566819331.db2.gz PISFGXWYZDDYDE-UHFFFAOYSA-N 0 0 382.239 3.321 10 5 GGBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ncc(C(F)(F)F)s1 ZINC000582015488 566823415 /nfs/dbraw/zinc/82/34/15/566823415.db2.gz ZVDRFBUVBRWIFF-UHFFFAOYSA-N 0 0 376.316 3.271 10 5 GGBERN COc1cccc(NC(=O)CNc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000517385451 566824475 /nfs/dbraw/zinc/82/44/75/566824475.db2.gz PVNGBBBVJGUQCI-UHFFFAOYSA-N 0 0 380.198 3.417 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000490009962 566824742 /nfs/dbraw/zinc/82/47/42/566824742.db2.gz HTFLQZFYJZRKHD-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000562841077 566826439 /nfs/dbraw/zinc/82/64/39/566826439.db2.gz LVSQSEBFXTVIEU-UHFFFAOYSA-N 0 0 399.222 3.093 10 5 GGBERN CO[C@@H](CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000469936363 566829198 /nfs/dbraw/zinc/82/91/98/566829198.db2.gz AAOLBYOWYSUIFW-UFBFGSQYSA-N 0 0 384.738 3.099 10 5 GGBERN CO[C@H](CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000469937157 566829629 /nfs/dbraw/zinc/82/96/29/566829629.db2.gz YVVSAMQOQQBWPW-LLVKDONJSA-N 0 0 399.163 3.363 10 5 GGBERN CO[C@@H](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000469949610 566830903 /nfs/dbraw/zinc/83/09/03/566830903.db2.gz XPMSAVPIUFJEOV-JTQLQIEISA-N 0 0 385.136 3.055 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(I)ccc1O ZINC000610486148 566834344 /nfs/dbraw/zinc/83/43/44/566834344.db2.gz NEPNSBLLIYLEGK-UHFFFAOYSA-N 0 0 398.156 3.466 10 5 GGBERN Cc1cc(C(=O)Nc2cc(I)ccc2O)ccc1[N+](=O)[O-] ZINC000610486305 566834669 /nfs/dbraw/zinc/83/46/69/566834669.db2.gz RAEJAOYRQHFUOG-UHFFFAOYSA-N 0 0 398.156 3.466 10 5 GGBERN CC[C@@H](NC(=O)CCn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000610526969 566839582 /nfs/dbraw/zinc/83/95/82/566839582.db2.gz QOWFQRIXRALHPJ-CQSZACIVSA-N 0 0 381.230 3.211 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1ccc(Br)cc1C ZINC000470104110 566846772 /nfs/dbraw/zinc/84/67/72/566846772.db2.gz JCVACVOLHWSVPV-UHFFFAOYSA-N 0 0 395.257 3.219 10 5 GGBERN CC(F)(F)CCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000451608144 566848730 /nfs/dbraw/zinc/84/87/30/566848730.db2.gz MLAWKXWOWIOZNS-UHFFFAOYSA-N 0 0 387.202 3.071 10 5 GGBERN CCSc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000490435209 566850270 /nfs/dbraw/zinc/85/02/70/566850270.db2.gz IOZKTTRMJDSYEW-UHFFFAOYSA-N 0 0 382.463 3.194 10 5 GGBERN Cc1nccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1Br ZINC000563155652 566860716 /nfs/dbraw/zinc/86/07/16/566860716.db2.gz KKEHXSSZLRLSLO-UHFFFAOYSA-N 0 0 378.226 3.399 10 5 GGBERN O=C(Cc1ccc(Br)s1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470262614 566862282 /nfs/dbraw/zinc/86/22/82/566862282.db2.gz BWUSTXAPEWNQIH-UHFFFAOYSA-N 0 0 397.250 3.251 10 5 GGBERN CO[C@@H](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000470321123 566863772 /nfs/dbraw/zinc/86/37/72/566863772.db2.gz QTSLYUXFIRKPSR-JTQLQIEISA-N 0 0 385.136 3.055 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])CCC2)n1 ZINC000610800321 566865325 /nfs/dbraw/zinc/86/53/25/566865325.db2.gz IIIDVLQKYZRCNT-UHFFFAOYSA-N 0 0 381.479 3.334 10 5 GGBERN COc1ccc(Br)c(CN(C)c2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000428674325 566868315 /nfs/dbraw/zinc/86/83/15/566868315.db2.gz IKKICRNAOJMBGP-UHFFFAOYSA-N 0 0 392.213 3.045 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccccc2Br)n1 ZINC000563274908 566871535 /nfs/dbraw/zinc/87/15/35/566871535.db2.gz YAJPUWDKRHILEM-UHFFFAOYSA-N 0 0 380.198 3.194 10 5 GGBERN CCOC(=O)Cc1csc(Sc2ncnc3cccc([N+](=O)[O-])c32)n1 ZINC000543449548 566882181 /nfs/dbraw/zinc/88/21/81/566882181.db2.gz OZCUWJQGDDIMPY-UHFFFAOYSA-N 0 0 376.419 3.251 10 5 GGBERN CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CCN1CC(F)F ZINC000543436752 566882240 /nfs/dbraw/zinc/88/22/40/566882240.db2.gz RIYOXWWHJBLWDA-SNVBAGLBSA-N 0 0 393.232 3.226 10 5 GGBERN Cc1c(Br)c(N2CCO[C@H](c3cccc(O)c3)C2)ncc1[N+](=O)[O-] ZINC000543436737 566882396 /nfs/dbraw/zinc/88/23/96/566882396.db2.gz QEOCLTVJNWNDNO-AWEZNQCLSA-N 0 0 394.225 3.344 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCOC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000611073259 566886950 /nfs/dbraw/zinc/88/69/50/566886950.db2.gz OOFQNWNGCMOPFQ-NSHDSACASA-N 0 0 397.147 3.069 10 5 GGBERN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(Br)cc2ccccc21 ZINC000491044169 566889972 /nfs/dbraw/zinc/88/99/72/566889972.db2.gz CRPLGHZYYGLESM-UHFFFAOYSA-N 0 0 389.209 3.137 10 5 GGBERN Cc1c(Br)c(N2CC[C@@H](c3nc(C4CC4)no3)C2)ncc1[N+](=O)[O-] ZINC000491061080 566891830 /nfs/dbraw/zinc/89/18/30/566891830.db2.gz MFXHBJRXYXWLDN-SNVBAGLBSA-N 0 0 394.229 3.315 10 5 GGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1O ZINC000543675560 566900701 /nfs/dbraw/zinc/90/07/01/566900701.db2.gz ZDPPTNGAHHQNMK-TZMCWYRMSA-N 0 0 385.258 3.226 10 5 GGBERN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@H]1C1CC1 ZINC000611223121 566901644 /nfs/dbraw/zinc/90/16/44/566901644.db2.gz CVXNSXTYBFNFSV-ZDUSSCGKSA-N 0 0 386.189 3.214 10 5 GGBERN COc1c(Br)cc(Cl)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000543718144 566905677 /nfs/dbraw/zinc/90/56/77/566905677.db2.gz PNMYXQOHGCLZQE-UHFFFAOYSA-N 0 0 389.593 3.005 10 5 GGBERN O=C(Nc1cc(Br)ccn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563687851 566907084 /nfs/dbraw/zinc/90/70/84/566907084.db2.gz TWZSZAOSEVFNNG-UHFFFAOYSA-N 0 0 377.198 3.343 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1N1CCC[C@H](OC(F)F)C1 ZINC000611584235 566929641 /nfs/dbraw/zinc/92/96/41/566929641.db2.gz YKHILLBBWSRNHN-VIFPVBQESA-N 0 0 398.147 3.407 10 5 GGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000611586094 566929675 /nfs/dbraw/zinc/92/96/75/566929675.db2.gz MCBZIZYTGXYBDJ-GXSJLCMTSA-N 0 0 378.759 3.246 10 5 GGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000611582556 566929697 /nfs/dbraw/zinc/92/96/97/566929697.db2.gz WYXKGZGERLANAE-LBPRGKRZSA-N 0 0 377.775 3.204 10 5 GGBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000611585499 566929749 /nfs/dbraw/zinc/92/97/49/566929749.db2.gz GQMFKDNPGFSIPB-LLVKDONJSA-N 0 0 378.759 3.247 10 5 GGBERN COc1cccc([C@H]2C[C@H](N(C)S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)c1 ZINC000452059123 566930072 /nfs/dbraw/zinc/93/00/72/566930072.db2.gz JUZNMVBKFZGLSX-JOCQHMNTSA-N 0 0 382.463 3.232 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](OC(F)F)C1 ZINC000611585413 566930165 /nfs/dbraw/zinc/93/01/65/566930165.db2.gz DUIFQEWSZHTLJM-VIFPVBQESA-N 0 0 379.157 3.201 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000611803308 566938980 /nfs/dbraw/zinc/93/89/80/566938980.db2.gz VARDUDJDHSPDSB-ZDUSSCGKSA-N 0 0 390.237 3.457 10 5 GGBERN COc1cccc([C@H]2C[C@H](C)CN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000544102739 566939603 /nfs/dbraw/zinc/93/96/03/566939603.db2.gz MNVCBLSLHYGZEH-SMDDNHRTSA-N 0 0 382.463 3.437 10 5 GGBERN COc1ccc(CNC(=O)Nc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000583369270 566944556 /nfs/dbraw/zinc/94/45/56/566944556.db2.gz KFOJDNMHGFKWJM-UHFFFAOYSA-N 0 0 376.316 3.400 10 5 GGBERN COc1ccc(CNS(=O)(=O)c2cc(C)c(F)cc2Cl)cc1[N+](=O)[O-] ZINC000471306631 566946463 /nfs/dbraw/zinc/94/64/63/566946463.db2.gz QYVPCQIJWQXOKW-UHFFFAOYSA-N 0 0 388.804 3.183 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1C(F)(F)F ZINC000612043823 566949421 /nfs/dbraw/zinc/94/94/21/566949421.db2.gz MFRAANYCCYVXIB-NSHDSACASA-N 0 0 384.763 3.130 10 5 GGBERN Cc1nn(C)c(C)c1NC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1C ZINC000429806236 566950810 /nfs/dbraw/zinc/95/08/10/566950810.db2.gz SFPGXFXKIFDOJY-UHFFFAOYSA-N 0 0 396.245 3.067 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)CCCc2nc(-c3cccs3)no2)c1 ZINC000429904041 566965964 /nfs/dbraw/zinc/96/59/64/566965964.db2.gz PXBXTCHHWJXSBV-UHFFFAOYSA-N 0 0 379.419 3.113 10 5 GGBERN COc1ccc(Br)cc1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000493980043 566966450 /nfs/dbraw/zinc/96/64/50/566966450.db2.gz PPQCSPCWYDMGAX-UHFFFAOYSA-N 0 0 394.225 3.342 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)CC[C@H]1CCCCO1 ZINC000544596526 566971262 /nfs/dbraw/zinc/97/12/62/566971262.db2.gz NNDJPYMMINYFDP-LLVKDONJSA-N 0 0 378.244 3.090 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430000396 566974401 /nfs/dbraw/zinc/97/44/01/566974401.db2.gz INHJBRVYVJMOHP-VIFPVBQESA-N 0 0 389.271 3.252 10 5 GGBERN Cc1nc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)sc1Br ZINC000452399958 566976295 /nfs/dbraw/zinc/97/62/95/566976295.db2.gz RSWPNUOPWPOKMV-UHFFFAOYSA-N 0 0 384.255 3.290 10 5 GGBERN O=C(Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)c1ccc(Br)cc1 ZINC000564451491 566976617 /nfs/dbraw/zinc/97/66/17/566976617.db2.gz OJAWBNCSZOERDY-UHFFFAOYSA-N 0 0 391.221 3.281 10 5 GGBERN CC1(C)OCC[C@@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000452466291 566984548 /nfs/dbraw/zinc/98/45/48/566984548.db2.gz NRMAUPLQKHPXBP-LBPRGKRZSA-N 0 0 378.372 3.389 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCCOc1ccc(Cl)cc1Cl ZINC000520138874 566986660 /nfs/dbraw/zinc/98/66/60/566986660.db2.gz LVRAPLMNYVPFQM-UHFFFAOYSA-N 0 0 385.207 3.277 10 5 GGBERN CN(CC1CC1)C(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000612661169 566986905 /nfs/dbraw/zinc/98/69/05/566986905.db2.gz QTRJYDNEEURPGL-UHFFFAOYSA-N 0 0 394.225 3.153 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(Cl)c1Cl ZINC000520156998 566987707 /nfs/dbraw/zinc/98/77/07/566987707.db2.gz QMUAOLVYGSAGBQ-UHFFFAOYSA-N 0 0 391.232 3.389 10 5 GGBERN O=C(CN[C@@H](CO)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000564577630 566989247 /nfs/dbraw/zinc/98/92/47/566989247.db2.gz AOYAESWAMJGYCS-AWEZNQCLSA-N 0 0 384.219 3.163 10 5 GGBERN O=C(N[C@@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1I ZINC000430257304 567002440 /nfs/dbraw/zinc/00/24/40/567002440.db2.gz ZZURRYBESZVUNU-GFCCVEGCSA-N 0 0 386.189 3.262 10 5 GGBERN Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nn1C ZINC000545041729 567015261 /nfs/dbraw/zinc/01/52/61/567015261.db2.gz APLGDDUHWHYPPO-UHFFFAOYSA-N 0 0 378.186 3.040 10 5 GGBERN Cc1cccnc1CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000452797504 567018225 /nfs/dbraw/zinc/01/82/25/567018225.db2.gz PEXZEVZMHPJZTJ-UHFFFAOYSA-N 0 0 378.226 3.342 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1(CF)CCOCC1 ZINC000452810058 567019930 /nfs/dbraw/zinc/01/99/30/567019930.db2.gz QYCGRYITZXHWKC-UHFFFAOYSA-N 0 0 389.221 3.162 10 5 GGBERN CC(C)(C(=O)Nc1c[nH]cc(Br)c1=O)c1ccc([N+](=O)[O-])cc1F ZINC000545135780 567021876 /nfs/dbraw/zinc/02/18/76/567021876.db2.gz MXSXWQSFNKOHQO-UHFFFAOYSA-N 0 0 398.188 3.101 10 5 GGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430937364 567039786 /nfs/dbraw/zinc/03/97/86/567039786.db2.gz BGOOFHIFJAGWOY-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN O=[N+]([O-])c1ccc(N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(Cl)c1 ZINC000521102904 567041573 /nfs/dbraw/zinc/04/15/73/567041573.db2.gz MZETXJTWFYQMSL-LBPRGKRZSA-N 0 0 381.841 3.123 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000545470511 567054065 /nfs/dbraw/zinc/05/40/65/567054065.db2.gz NGARQJXOKPUZEO-HNNXBMFYSA-N 0 0 382.825 3.440 10 5 GGBERN Cc1nc([N+](=O)[O-])c(-c2noc(Cc3sccc3Br)n2)n1C ZINC000453164566 567059748 /nfs/dbraw/zinc/05/97/48/567059748.db2.gz QHXDHXJKEHNMEA-UHFFFAOYSA-N 0 0 384.215 3.102 10 5 GGBERN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cs1 ZINC000495432029 567061008 /nfs/dbraw/zinc/06/10/08/567061008.db2.gz QVENSVDZLZJIDC-UHFFFAOYSA-N 0 0 389.174 3.217 10 5 GGBERN COC(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)o1 ZINC000431177115 567061418 /nfs/dbraw/zinc/06/14/18/567061418.db2.gz WYVVMIVYTLUWOV-UHFFFAOYSA-N 0 0 383.154 3.298 10 5 GGBERN Cc1c(NC(=O)[C@H](C(C)C)N2CCCC2=O)cc(Br)cc1[N+](=O)[O-] ZINC000431173250 567061800 /nfs/dbraw/zinc/06/18/00/567061800.db2.gz PJBHGBOGFWJVIK-HNNXBMFYSA-N 0 0 398.257 3.251 10 5 GGBERN Cc1c(NC(=O)c2ccc(C(N)=O)s2)cc(Br)cc1[N+](=O)[O-] ZINC000431173827 567062279 /nfs/dbraw/zinc/06/22/79/567062279.db2.gz WATGVWMDPITYCR-UHFFFAOYSA-N 0 0 384.211 3.078 10 5 GGBERN CSc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cnn1C ZINC000431185108 567063401 /nfs/dbraw/zinc/06/34/01/567063401.db2.gz XAKXRLXSUZJRHB-UHFFFAOYSA-N 0 0 385.243 3.373 10 5 GGBERN Cc1c(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000431180655 567063718 /nfs/dbraw/zinc/06/37/18/567063718.db2.gz HTHQGYNMYYXWIC-SNVBAGLBSA-N 0 0 398.257 3.251 10 5 GGBERN Cc1c(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cnn1C ZINC000431182290 567063831 /nfs/dbraw/zinc/06/38/31/567063831.db2.gz UNJUAIALNUKDCW-UHFFFAOYSA-N 0 0 381.230 3.279 10 5 GGBERN Cc1c(NC(=O)[C@H]2COc3ccccc3O2)cc(Br)cc1[N+](=O)[O-] ZINC000431179666 567063981 /nfs/dbraw/zinc/06/39/81/567063981.db2.gz DHYODAUOAUCLNC-OAHLLOKOSA-N 0 0 393.193 3.444 10 5 GGBERN CC(=O)N[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CCCC1 ZINC000431246275 567068224 /nfs/dbraw/zinc/06/82/24/567068224.db2.gz BHYLMECECGEHOF-HNNXBMFYSA-N 0 0 398.257 3.299 10 5 GGBERN C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)s1 ZINC000496304716 567073678 /nfs/dbraw/zinc/07/36/78/567073678.db2.gz OYKSSXRNDPOZBL-MRVPVSSYSA-N 0 0 381.797 3.095 10 5 GGBERN COc1cc(Br)ccc1[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000584846649 567076176 /nfs/dbraw/zinc/07/61/76/567076176.db2.gz PXJBLOFGCVCVQN-MRVPVSSYSA-N 0 0 395.213 3.033 10 5 GGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000473383754 567076828 /nfs/dbraw/zinc/07/68/28/567076828.db2.gz DKYQZHDKYVCBIC-CABZTGNLSA-N 0 0 378.372 3.092 10 5 GGBERN Cc1ccn2c(c1)nnc2NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585700512 567080649 /nfs/dbraw/zinc/08/06/49/567080649.db2.gz ABLPCJSXSVFSOB-UHFFFAOYSA-N 0 0 390.197 3.269 10 5 GGBERN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ncc(Br)cn1 ZINC000431482676 567085029 /nfs/dbraw/zinc/08/50/29/567085029.db2.gz LMJNBEMONIIEOM-MRVPVSSYSA-N 0 0 392.213 3.205 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@]2(C1)CCCOC2 ZINC000585741084 567085406 /nfs/dbraw/zinc/08/54/06/567085406.db2.gz ZIWBGVMWTVXXGL-AWEZNQCLSA-N 0 0 395.264 3.093 10 5 GGBERN C[S@](=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000585750521 567085892 /nfs/dbraw/zinc/08/58/92/567085892.db2.gz KAARNTXVMRQGCD-QFIPXVFZSA-N 0 0 383.223 3.347 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CSc3ccccc3O2)s1 ZINC000565654239 567086006 /nfs/dbraw/zinc/08/60/06/567086006.db2.gz IQDAEFZPROOAHD-VIFPVBQESA-N 0 0 386.476 3.025 10 5 GGBERN O=C(CNC(=O)Nc1ccccc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585750529 567086396 /nfs/dbraw/zinc/08/63/96/567086396.db2.gz MSSNLRMTSBHGJH-UHFFFAOYSA-N 0 0 393.197 3.118 10 5 GGBERN CCOC(=O)c1cc(N[C@@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000431503948 567086693 /nfs/dbraw/zinc/08/66/93/567086693.db2.gz CUMOPOSBUCKNEN-VIFPVBQESA-N 0 0 395.213 3.497 10 5 GGBERN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000545928409 567090264 /nfs/dbraw/zinc/09/02/64/567090264.db2.gz DSWJAECHANPLAO-UHFFFAOYSA-N 0 0 375.182 3.164 10 5 GGBERN COc1ccc(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000585808119 567090535 /nfs/dbraw/zinc/09/05/35/567090535.db2.gz CMVFZQSCBUNTHJ-UHFFFAOYSA-N 0 0 395.213 3.425 10 5 GGBERN COc1cccc(C[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000497370864 567091988 /nfs/dbraw/zinc/09/19/88/567091988.db2.gz UYCYBTJICJHSAA-NSHDSACASA-N 0 0 384.841 3.166 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@H]1CCO ZINC000586835108 567099552 /nfs/dbraw/zinc/09/95/52/567099552.db2.gz FKNGLZGSEKGAAX-LBPRGKRZSA-N 0 0 385.258 3.433 10 5 GGBERN O=C(CN1CCCCCCC1=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000586836045 567101629 /nfs/dbraw/zinc/10/16/29/567101629.db2.gz UHJHOWLUIGNDLO-UHFFFAOYSA-N 0 0 384.230 3.089 10 5 GGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ncc(Br)cn1 ZINC000431724731 567103798 /nfs/dbraw/zinc/10/37/98/567103798.db2.gz VYGCTJYWHHVNMD-SSDOTTSWSA-N 0 0 384.165 3.169 10 5 GGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000587416156 567104231 /nfs/dbraw/zinc/10/42/31/567104231.db2.gz QQPVXAVNIJVSEN-GBIKHYSHSA-N 0 0 378.372 3.254 10 5 GGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587425744 567104265 /nfs/dbraw/zinc/10/42/65/567104265.db2.gz RKQJOZNJOFQNTL-RDDDGLTNSA-N 0 0 397.147 3.149 10 5 GGBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000587433872 567104834 /nfs/dbraw/zinc/10/48/34/567104834.db2.gz DRCQXUDJMSAMND-WRWORJQWSA-N 0 0 397.147 3.149 10 5 GGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000587433870 567105109 /nfs/dbraw/zinc/10/51/09/567105109.db2.gz DRCQXUDJMSAMND-HQJQHLMTSA-N 0 0 397.147 3.149 10 5 GGBERN Nc1cc(NCCCc2cccc(Br)c2)cc(CO)c1[N+](=O)[O-] ZINC000587973995 567106270 /nfs/dbraw/zinc/10/62/70/567106270.db2.gz DTYDBUJVVAIQSS-UHFFFAOYSA-N 0 0 380.242 3.477 10 5 GGBERN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1ccccc1Br ZINC000587992036 567106347 /nfs/dbraw/zinc/10/63/47/567106347.db2.gz TUGNSNSPGNXWQW-JTQLQIEISA-N 0 0 396.241 3.311 10 5 GGBERN CN(Cc1ccc(Br)c(F)c1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588033065 567109560 /nfs/dbraw/zinc/10/95/60/567109560.db2.gz ZIFKBKXEWYNQIS-UHFFFAOYSA-N 0 0 384.205 3.207 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cccnc1N(C)C ZINC000565939509 567113342 /nfs/dbraw/zinc/11/33/42/567113342.db2.gz AQRLLWPOFDFPMR-UHFFFAOYSA-N 0 0 393.241 3.057 10 5 GGBERN Cc1c(CNC(=O)N[C@H](C)c2ncc(Br)cn2)cccc1[N+](=O)[O-] ZINC000431899097 567115132 /nfs/dbraw/zinc/11/51/32/567115132.db2.gz PJNQLJSNJUUJAG-SNVBAGLBSA-N 0 0 394.229 3.016 10 5 GGBERN O=C(Cc1cscc1Br)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000432043482 567127749 /nfs/dbraw/zinc/12/77/49/567127749.db2.gz SYMHJDFCTMPCRH-UHFFFAOYSA-N 0 0 384.255 3.190 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCOc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000522798924 567131760 /nfs/dbraw/zinc/13/17/60/567131760.db2.gz QSHGEDSLDBRDKQ-UHFFFAOYSA-N 0 0 386.788 3.283 10 5 GGBERN Cc1cc(F)ccc1S(=O)(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000497947630 567135505 /nfs/dbraw/zinc/13/55/05/567135505.db2.gz AMJLOMTWVNAZKH-INIZCTEOSA-N 0 0 382.438 3.479 10 5 GGBERN O=C(N[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1I ZINC000588788852 567137303 /nfs/dbraw/zinc/13/73/03/567137303.db2.gz QVSCDXPKJKFBLG-SNVBAGLBSA-N 0 0 396.131 3.117 10 5 GGBERN O=[N+]([O-])c1ncn(Cc2nc(C(F)(F)c3ccc(Cl)c(Cl)c3)no2)n1 ZINC000546555393 567137957 /nfs/dbraw/zinc/13/79/57/567137957.db2.gz QXEGBRXHNGYJSZ-UHFFFAOYSA-N 0 0 391.121 3.065 10 5 GGBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ncsc1Br ZINC000588920490 567144722 /nfs/dbraw/zinc/14/47/22/567144722.db2.gz FFBPLCBWZRRISO-UHFFFAOYSA-N 0 0 394.210 3.252 10 5 GGBERN CCc1nc(CCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cs1 ZINC000523296556 567149117 /nfs/dbraw/zinc/14/91/17/567149117.db2.gz WGLYLKKBLLBOJJ-UHFFFAOYSA-N 0 0 389.886 3.097 10 5 GGBERN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589021853 567151462 /nfs/dbraw/zinc/15/14/62/567151462.db2.gz UKCZGTNVBFAJOE-CPCISQLKSA-N 0 0 397.147 3.149 10 5 GGBERN COc1cc2c(cc1Cl)CN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000566371886 567154238 /nfs/dbraw/zinc/15/42/38/567154238.db2.gz DXPQITCBUYRUSH-UHFFFAOYSA-N 0 0 388.854 3.065 10 5 GGBERN C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432515265 567166345 /nfs/dbraw/zinc/16/63/45/567166345.db2.gz QSUFTDWRZRDIBQ-SNVBAGLBSA-N 0 0 394.229 3.050 10 5 GGBERN CC[C@@H](C)C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000566622896 567172957 /nfs/dbraw/zinc/17/29/57/567172957.db2.gz QKMHOEMFGWRAIA-SKDRFNHKSA-N 0 0 387.230 3.065 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](OC(F)F)C1 ZINC000566634676 567175352 /nfs/dbraw/zinc/17/53/52/567175352.db2.gz SKEJJJNHOKJIJZ-JTQLQIEISA-N 0 0 380.145 3.203 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCSC[C@@H]2c2nccs2)c1 ZINC000589510835 567182126 /nfs/dbraw/zinc/18/21/26/567182126.db2.gz XXNCDLUEIKFURO-CQSZACIVSA-N 0 0 379.463 3.128 10 5 GGBERN O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000474655906 567186811 /nfs/dbraw/zinc/18/68/11/567186811.db2.gz JXHQPOUEMLWIRF-VIFPVBQESA-N 0 0 393.610 3.157 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(C(F)(F)F)[nH]n1 ZINC000566812962 567192983 /nfs/dbraw/zinc/19/29/83/567192983.db2.gz SDFAXWUKGKJYEW-UHFFFAOYSA-N 0 0 379.092 3.352 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@@H](O)CC(F)(F)C1 ZINC000615732218 567201526 /nfs/dbraw/zinc/20/15/26/567201526.db2.gz RCHRVIYGZYIGQU-VIFPVBQESA-N 0 0 388.168 3.112 10 5 GGBERN C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ncc(Br)cn1 ZINC000590062367 567205865 /nfs/dbraw/zinc/20/58/65/567205865.db2.gz VNHNNMWWMBEUTC-QMMMGPOBSA-N 0 0 375.186 3.264 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)cc1 ZINC000432967567 567210991 /nfs/dbraw/zinc/21/09/91/567210991.db2.gz QBRWWPZDRNULNZ-ZDUSSCGKSA-N 0 0 378.303 3.158 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000432968290 567211227 /nfs/dbraw/zinc/21/12/27/567211227.db2.gz WYIJVVKMXQEAND-ZDUSSCGKSA-N 0 0 378.303 3.158 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2cc(F)ccc2F)C(F)F)cc1 ZINC000432967566 567211500 /nfs/dbraw/zinc/21/15/00/567211500.db2.gz QBRWWPZDRNULNZ-CYBMUJFWSA-N 0 0 378.303 3.158 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000432968289 567211594 /nfs/dbraw/zinc/21/15/94/567211594.db2.gz WYIJVVKMXQEAND-CYBMUJFWSA-N 0 0 378.303 3.158 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCc3sc(Cl)cc3C2)cc1[N+](=O)[O-] ZINC000567045555 567213156 /nfs/dbraw/zinc/21/31/56/567213156.db2.gz SMTDTIMNFMKBAS-UHFFFAOYSA-N 0 0 378.884 3.427 10 5 GGBERN O=C(NCCc1ccc(Br)cc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000567268748 567231324 /nfs/dbraw/zinc/23/13/24/567231324.db2.gz DNWIHUNLZOIHCW-UHFFFAOYSA-N 0 0 384.617 3.378 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000590549388 567231822 /nfs/dbraw/zinc/23/18/22/567231822.db2.gz FMCXIZPXKDMUDC-UHFFFAOYSA-N 0 0 382.825 3.277 10 5 GGBERN COC(=O)c1c(Cl)c(Oc2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000590574607 567233994 /nfs/dbraw/zinc/23/39/94/567233994.db2.gz MGAYCZAHYNXZGX-UHFFFAOYSA-N 0 0 385.781 3.231 10 5 GGBERN Cc1nc(NC(=O)COc2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000475298859 567239069 /nfs/dbraw/zinc/23/90/69/567239069.db2.gz DBHYZRJEBORLAF-UHFFFAOYSA-N 0 0 384.161 3.217 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCC(OC(F)F)CC2)c1C ZINC000590764509 567246409 /nfs/dbraw/zinc/24/64/09/567246409.db2.gz DTMIVILWNHGNSD-UHFFFAOYSA-N 0 0 378.397 3.040 10 5 GGBERN COc1cc(S(=O)(=O)NCc2cc(F)c(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000433447513 567250619 /nfs/dbraw/zinc/25/06/19/567250619.db2.gz OLLBPMSWZCPEIB-UHFFFAOYSA-N 0 0 392.767 3.014 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1cc(F)c(Cl)cc1F ZINC000433446016 567251053 /nfs/dbraw/zinc/25/10/53/567251053.db2.gz YRINVMNRVCUFBT-UHFFFAOYSA-N 0 0 390.795 3.189 10 5 GGBERN Cc1c(NC(=O)N2CC3(C2)CCOCC3)cc(Br)cc1[N+](=O)[O-] ZINC000590834353 567251255 /nfs/dbraw/zinc/25/12/55/567251255.db2.gz RUZQLJMSALXCNC-UHFFFAOYSA-N 0 0 384.230 3.310 10 5 GGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000499638591 567261615 /nfs/dbraw/zinc/26/16/15/567261615.db2.gz YJEDYYKLNFVIKL-CYBMUJFWSA-N 0 0 376.210 3.357 10 5 GGBERN Cc1c(NC(=O)N[C@@H](C)C(=O)OC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000455349961 567264312 /nfs/dbraw/zinc/26/43/12/567264312.db2.gz GMIHHOLRPWJJIP-VIFPVBQESA-N 0 0 388.218 3.127 10 5 GGBERN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(CC)CC ZINC000433740873 567270289 /nfs/dbraw/zinc/27/02/89/567270289.db2.gz DYUSLUNXIJXZOW-NWDGAFQWSA-N 0 0 376.500 3.261 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000455398952 567270527 /nfs/dbraw/zinc/27/05/27/567270527.db2.gz JBKGAJXTNXMVGJ-CABCVRRESA-N 0 0 398.257 3.276 10 5 GGBERN CCn1ccnc1[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455402771 567270591 /nfs/dbraw/zinc/27/05/91/567270591.db2.gz OSPDJIKFXKETNE-VIFPVBQESA-N 0 0 382.218 3.456 10 5 GGBERN C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2nccn21 ZINC000455397650 567270950 /nfs/dbraw/zinc/27/09/50/567270950.db2.gz GLHHAXQZMFDVOE-QPUJVOFHSA-N 0 0 380.202 3.381 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000455398954 567271317 /nfs/dbraw/zinc/27/13/17/567271317.db2.gz JBKGAJXTNXMVGJ-HUUCEWRRSA-N 0 0 398.257 3.276 10 5 GGBERN COC(=O)c1cnc(N(C)Cc2ccc(Br)cc2C)c([N+](=O)[O-])c1 ZINC000433794902 567271745 /nfs/dbraw/zinc/27/17/45/567271745.db2.gz VJRUNMOFDDWRKL-UHFFFAOYSA-N 0 0 394.225 3.484 10 5 GGBERN NC(=O)c1c(F)cc(Br)cc1NCCc1ccccc1[N+](=O)[O-] ZINC000548055174 567276528 /nfs/dbraw/zinc/27/65/28/567276528.db2.gz DUDMFJFIFCOCLT-UHFFFAOYSA-N 0 0 382.189 3.250 10 5 GGBERN O=C(Cc1ccc(Br)cc1O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000548077013 567278221 /nfs/dbraw/zinc/27/82/21/567278221.db2.gz HHZJLAPCQDDHPM-UHFFFAOYSA-N 0 0 391.221 3.190 10 5 GGBERN COc1cc(C(=O)Nc2ncc(C(F)(F)F)s2)c([N+](=O)[O-])cc1OC ZINC000475867815 567283055 /nfs/dbraw/zinc/28/30/55/567283055.db2.gz ZNINHFREIDXDOD-UHFFFAOYSA-N 0 0 377.300 3.340 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Br)cc2C)n1 ZINC000433999402 567287839 /nfs/dbraw/zinc/28/78/39/567287839.db2.gz NQOJECJJQNEGMD-UHFFFAOYSA-N 0 0 381.230 3.154 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)n1 ZINC000526073384 567289674 /nfs/dbraw/zinc/28/96/74/567289674.db2.gz XVXFTTIWLNGCCL-UHFFFAOYSA-N 0 0 393.119 3.362 10 5 GGBERN CSc1cccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000434297136 567303992 /nfs/dbraw/zinc/30/39/92/567303992.db2.gz DQSWYPSHBWQUQG-RNCFNFMXSA-N 0 0 378.372 3.092 10 5 GGBERN COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1Br ZINC000548291728 567304070 /nfs/dbraw/zinc/30/40/70/567304070.db2.gz JZERQMYLYLCWCW-UHFFFAOYSA-N 0 0 382.170 3.022 10 5 GGBERN COC(=O)c1cccc2c1CN(c1ncc(Br)cc1[N+](=O)[O-])CC2 ZINC000591989051 567306811 /nfs/dbraw/zinc/30/68/11/567306811.db2.gz NCDWHFVOQMBZGN-UHFFFAOYSA-N 0 0 392.209 3.102 10 5 GGBERN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)CC(F)F ZINC000591965593 567307228 /nfs/dbraw/zinc/30/72/28/567307228.db2.gz SNJDENPSWBPFJI-LLVKDONJSA-N 0 0 377.413 3.083 10 5 GGBERN Cc1cc(Br)ccc1CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000434504695 567311369 /nfs/dbraw/zinc/31/13/69/567311369.db2.gz VTFSIZFSNZWVNH-UHFFFAOYSA-N 0 0 380.198 3.039 10 5 GGBERN CCN(CCSC)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000592204734 567321062 /nfs/dbraw/zinc/32/10/62/567321062.db2.gz VONXRBKPTAXPOB-UHFFFAOYSA-N 0 0 380.495 3.342 10 5 GGBERN CN(Cc1cc(Cl)ccc1F)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000434762609 567326478 /nfs/dbraw/zinc/32/64/78/567326478.db2.gz BHERIARRPZWEJN-UHFFFAOYSA-N 0 0 376.768 3.347 10 5 GGBERN CCOc1ccc(C(=O)Nc2ccnc(C)c2Br)cc1[N+](=O)[O-] ZINC000527340118 567331984 /nfs/dbraw/zinc/33/19/84/567331984.db2.gz JOIJXJCMOGXCOD-UHFFFAOYSA-N 0 0 380.198 3.134 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(C)c2Br)c1 ZINC000527340612 567332478 /nfs/dbraw/zinc/33/24/78/567332478.db2.gz NMNJIRUXFMSNEH-UHFFFAOYSA-N 0 0 382.239 3.457 10 5 GGBERN Cc1nccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1Br ZINC000527339079 567332719 /nfs/dbraw/zinc/33/27/19/567332719.db2.gz OLEIGHSTWOXMDQ-UHFFFAOYSA-N 0 0 391.225 3.073 10 5 GGBERN O=C1C[C@@H](c2cccc(Nc3ncc([N+](=O)[O-])cc3Br)c2)CN1 ZINC000434945304 567336266 /nfs/dbraw/zinc/33/62/66/567336266.db2.gz BUMDFQWCOAQJPY-SNVBAGLBSA-N 0 0 377.198 3.099 10 5 GGBERN CCN1C[C@H](c2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)CC1=O ZINC000592417927 567336916 /nfs/dbraw/zinc/33/69/16/567336916.db2.gz QQXVQYZGDHAZST-SNVBAGLBSA-N 0 0 395.213 3.052 10 5 GGBERN Cc1c(Br)cc(-c2nc(COC[C@@H]3CCOC3)no2)cc1[N+](=O)[O-] ZINC000592418508 567337644 /nfs/dbraw/zinc/33/76/44/567337644.db2.gz OMAOTOHHGMNFLY-SNVBAGLBSA-N 0 0 398.213 3.269 10 5 GGBERN Cc1c(Br)cc(-c2nc(COC[C@H]3CCOC3)no2)cc1[N+](=O)[O-] ZINC000592418507 567337744 /nfs/dbraw/zinc/33/77/44/567337744.db2.gz OMAOTOHHGMNFLY-JTQLQIEISA-N 0 0 398.213 3.269 10 5 GGBERN Cc1c(NC(=O)[C@@H]2CCc3ncncc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000592629035 567351548 /nfs/dbraw/zinc/35/15/48/567351548.db2.gz SWZLRXDGOJREQE-SNVBAGLBSA-N 0 0 391.225 3.199 10 5 GGBERN Cc1c(NC(=O)c2cn(C3CCC3)nn2)cc(Br)cc1[N+](=O)[O-] ZINC000592628729 567351883 /nfs/dbraw/zinc/35/18/83/567351883.db2.gz MBHFTXVRWPKGBH-UHFFFAOYSA-N 0 0 380.202 3.235 10 5 GGBERN Cc1c(NC(=O)NCC2(CO)CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435322489 567355198 /nfs/dbraw/zinc/35/51/98/567355198.db2.gz DDZHMTDSQMGROR-UHFFFAOYSA-N 0 0 386.246 3.340 10 5 GGBERN CCOC(=O)CCN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435330887 567355724 /nfs/dbraw/zinc/35/57/24/567355724.db2.gz XBOIJKONBKWESH-UHFFFAOYSA-N 0 0 388.218 3.083 10 5 GGBERN Cc1noc([C@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000435326566 567356528 /nfs/dbraw/zinc/35/65/28/567356528.db2.gz DLSZOWLASSUXBY-ZETCQYMHSA-N 0 0 384.190 3.240 10 5 GGBERN Cc1c(NC(=O)N(C)CC2(O)CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435324738 567356547 /nfs/dbraw/zinc/35/65/47/567356547.db2.gz XMBSIFPOULPWBI-UHFFFAOYSA-N 0 0 386.246 3.435 10 5 GGBERN Cc1c(NC(=O)NCCC(=O)OC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435324970 567356566 /nfs/dbraw/zinc/35/65/66/567356566.db2.gz YCYSZIGXPWOHRE-UHFFFAOYSA-N 0 0 388.218 3.129 10 5 GGBERN Cc1c(NC(=O)NC[C@H]2CCC[C@H](O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435324327 567356588 /nfs/dbraw/zinc/35/65/88/567356588.db2.gz VODMDANFNVYDRK-JQWIXIFHSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1c(NC(=O)N(C)Cc2cnccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435330879 567356619 /nfs/dbraw/zinc/35/66/19/567356619.db2.gz WZKDFCXMHMMZSY-UHFFFAOYSA-N 0 0 380.202 3.120 10 5 GGBERN Cc1c(NC(=O)Nc2cc(C3CC3)[nH]n2)cc(Br)cc1[N+](=O)[O-] ZINC000435330714 567356633 /nfs/dbraw/zinc/35/66/33/567356633.db2.gz VPZZRGJCFNWIFD-UHFFFAOYSA-N 0 0 380.202 3.332 10 5 GGBERN Cc1ccc2c(c1C)OC[C@@H]2NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476922192 567357432 /nfs/dbraw/zinc/35/74/32/567357432.db2.gz JKHWAOCGRPBYSK-ZDUSSCGKSA-N 0 0 382.825 3.277 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@]2(CNc3ccccc32)C1 ZINC000618166212 567359657 /nfs/dbraw/zinc/35/96/57/567359657.db2.gz DBNPCZWAEGKQFH-INIZCTEOSA-N 0 0 375.226 3.326 10 5 GGBERN Cc1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3Br)C2)n(C)n1 ZINC000618173706 567359847 /nfs/dbraw/zinc/35/98/47/567359847.db2.gz WBMXGXDBDPPKMK-LBPRGKRZSA-N 0 0 394.273 3.480 10 5 GGBERN Cc1nn(C)c(C)c1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501066765 567361110 /nfs/dbraw/zinc/36/11/10/567361110.db2.gz ACCRUNRKLYWNJK-UHFFFAOYSA-N 0 0 382.218 3.029 10 5 GGBERN Cc1cc(C[C@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[nH]n1 ZINC000501067810 567361477 /nfs/dbraw/zinc/36/14/77/567361477.db2.gz DKJXSMFIFWNAOY-QMMMGPOBSA-N 0 0 382.218 3.142 10 5 GGBERN Cc1nn(C)c(C)c1CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501069669 567362358 /nfs/dbraw/zinc/36/23/58/567362358.db2.gz IPVGZWKXSIVZJV-UHFFFAOYSA-N 0 0 396.245 3.072 10 5 GGBERN CN(C)c1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000501080075 567363328 /nfs/dbraw/zinc/36/33/28/567363328.db2.gz CCLAFZAJYQJKAP-UHFFFAOYSA-N 0 0 394.229 3.140 10 5 GGBERN CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000501080009 567363355 /nfs/dbraw/zinc/36/33/55/567363355.db2.gz BKJDJDIJBYVFSP-UHFFFAOYSA-N 0 0 386.246 3.372 10 5 GGBERN O=C(NCc1cn2ccsc2n1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501102337 567364106 /nfs/dbraw/zinc/36/41/06/567364106.db2.gz WHVPIMWRVYBPEJ-UHFFFAOYSA-N 0 0 396.226 3.388 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H](CO)c1ccsc1 ZINC000501098695 567364156 /nfs/dbraw/zinc/36/41/56/567364156.db2.gz ILAHNXDXICLCDE-LBPRGKRZSA-N 0 0 386.227 3.274 10 5 GGBERN CC(C)(C)n1ncnc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501099075 567364813 /nfs/dbraw/zinc/36/48/13/567364813.db2.gz JYXPMORPZNJBRX-UHFFFAOYSA-N 0 0 397.233 3.026 10 5 GGBERN O=C(CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000501087389 567364906 /nfs/dbraw/zinc/36/49/06/567364906.db2.gz YLIKBKVZNSMVTC-UHFFFAOYSA-N 0 0 393.197 3.118 10 5 GGBERN CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccc(Br)cc1 ZINC000501115516 567365610 /nfs/dbraw/zinc/36/56/10/567365610.db2.gz ZLYRXCBDWUMZLH-UHFFFAOYSA-N 0 0 381.230 3.305 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCCc2c[nH]nc21 ZINC000501114716 567366122 /nfs/dbraw/zinc/36/61/22/567366122.db2.gz XMZHCPDKOVSCQQ-GFCCVEGCSA-N 0 0 380.202 3.280 10 5 GGBERN CC(C)c1nnc([C@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[nH]1 ZINC000501108724 567366272 /nfs/dbraw/zinc/36/62/72/567366272.db2.gz RCSDCBLHFFCAGM-QMMMGPOBSA-N 0 0 397.233 3.482 10 5 GGBERN COc1ccc(Br)cc1C1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000592824170 567366365 /nfs/dbraw/zinc/36/63/65/567366365.db2.gz HWXCDNPKJLTLQY-UHFFFAOYSA-N 0 0 380.198 3.113 10 5 GGBERN CC(C)c1nnc([C@@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[nH]1 ZINC000501108720 567366326 /nfs/dbraw/zinc/36/63/26/567366326.db2.gz RCSDCBLHFFCAGM-MRVPVSSYSA-N 0 0 397.233 3.482 10 5 GGBERN CC1(C)[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000501106562 567366341 /nfs/dbraw/zinc/36/63/41/567366341.db2.gz LRXVXRYDSBYKHR-UPJWGTAASA-N 0 0 384.230 3.292 10 5 GGBERN CC1(C)[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC000501106563 567366377 /nfs/dbraw/zinc/36/63/77/567366377.db2.gz LRXVXRYDSBYKHR-XQQFMLRXSA-N 0 0 384.230 3.292 10 5 GGBERN CN(CCCn1ccnc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501130973 567367754 /nfs/dbraw/zinc/36/77/54/567367754.db2.gz WWQWJDOJSHMZKM-UHFFFAOYSA-N 0 0 382.218 3.108 10 5 GGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000592949877 567373615 /nfs/dbraw/zinc/37/36/15/567373615.db2.gz OIZOVCNLVXGCBU-UHFFFAOYSA-N 0 0 381.230 3.495 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)s1 ZINC000435593826 567377034 /nfs/dbraw/zinc/37/70/34/567377034.db2.gz SXMCWUDOIQZTOC-ZJUUUORDSA-N 0 0 390.389 3.092 10 5 GGBERN Cc1nn(C)c2ncc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc12 ZINC000501320242 567380239 /nfs/dbraw/zinc/38/02/39/567380239.db2.gz ZKLMGJODSCDAQP-UHFFFAOYSA-N 0 0 390.197 3.200 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000593115212 567386758 /nfs/dbraw/zinc/38/67/58/567386758.db2.gz AJLOHIDPAQMIIW-LBPRGKRZSA-N 0 0 394.159 3.431 10 5 GGBERN CCCc1ncc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)o1 ZINC000456509185 567387435 /nfs/dbraw/zinc/38/74/35/567387435.db2.gz UJPNIYUJWNENJJ-UHFFFAOYSA-N 0 0 382.214 3.157 10 5 GGBERN CN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)c1ccc([N+](=O)[O-])nc1 ZINC000593144413 567389503 /nfs/dbraw/zinc/38/95/03/567389503.db2.gz WKJNAYSJACFFIT-GFCCVEGCSA-N 0 0 392.209 3.281 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000477357648 567390472 /nfs/dbraw/zinc/39/04/72/567390472.db2.gz VITOYWQREXZFDP-SNVBAGLBSA-N 0 0 379.766 3.265 10 5 GGBERN O=[N+]([O-])c1ccc(CSCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000593195440 567395839 /nfs/dbraw/zinc/39/58/39/567395839.db2.gz PLWYOSOHRNGQQE-UHFFFAOYSA-N 0 0 378.475 3.469 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](C1CC1)C1CCOCC1 ZINC000593279396 567401953 /nfs/dbraw/zinc/40/19/53/567401953.db2.gz NAGIDGBGPPQVKM-KRWDZBQOSA-N 0 0 397.269 3.221 10 5 GGBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000593278837 567402627 /nfs/dbraw/zinc/40/26/27/567402627.db2.gz BQUXEQKHOJUTTE-OAHLLOKOSA-N 0 0 383.242 3.292 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000456695960 567403140 /nfs/dbraw/zinc/40/31/40/567403140.db2.gz NZUVSSKSLGHJDG-NOZJJQNGSA-N 0 0 378.372 3.092 10 5 GGBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)[C@H]1n1cccn1 ZINC000549684346 567403357 /nfs/dbraw/zinc/40/33/57/567403357.db2.gz RXWDGZREDJCAKJ-RBSFLKMASA-N 0 0 381.230 3.384 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)OCC12CCC2 ZINC000593321542 567407075 /nfs/dbraw/zinc/40/70/75/567407075.db2.gz ZADHTMLMGDTWMR-JTQLQIEISA-N 0 0 383.242 3.449 10 5 GGBERN Cc1c(Br)cc(C(=O)N2C[C@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593320961 567407240 /nfs/dbraw/zinc/40/72/40/567407240.db2.gz VTQMVTHEOOSAHO-JTQLQIEISA-N 0 0 383.242 3.449 10 5 GGBERN Cc1c(Br)cc(C(=O)N2C[C@@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593320964 567407395 /nfs/dbraw/zinc/40/73/95/567407395.db2.gz VTQMVTHEOOSAHO-SNVBAGLBSA-N 0 0 383.242 3.449 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(CC2(F)F)C1 ZINC000593360910 567408528 /nfs/dbraw/zinc/40/85/28/567408528.db2.gz WUVUUHUIVCLWQQ-ZDUSSCGKSA-N 0 0 375.169 3.158 10 5 GGBERN O=[N+]([O-])c1ccc(SCc2ccc(S(=O)(=O)NC3CC3)cc2)c(F)c1 ZINC000593422003 567412052 /nfs/dbraw/zinc/41/20/52/567412052.db2.gz FVRVCWABHVTDKP-UHFFFAOYSA-N 0 0 382.438 3.467 10 5 GGBERN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000456755917 567416684 /nfs/dbraw/zinc/41/66/84/567416684.db2.gz ZZULARKVBBKAQX-JTQLQIEISA-N 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O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC1CC(F)(F)C1 ZINC000457154890 567445170 /nfs/dbraw/zinc/44/51/70/567445170.db2.gz GEHJYTCKKACGIZ-UHFFFAOYSA-N 0 0 377.185 3.451 10 5 GGBERN Cc1ccc(CN(CCO)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)o1 ZINC000478388353 567452080 /nfs/dbraw/zinc/45/20/80/567452080.db2.gz LPVBBVJITHOZRR-UHFFFAOYSA-N 0 0 397.225 3.202 10 5 GGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1I)C(C)(F)F ZINC000594063249 567455299 /nfs/dbraw/zinc/45/52/99/567455299.db2.gz QGSFSFPUSIINNN-UHFFFAOYSA-N 0 0 398.147 3.363 10 5 GGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594072480 567456794 /nfs/dbraw/zinc/45/67/94/567456794.db2.gz PXESVGVBEPPODR-GJZGRUSLSA-N 0 0 383.242 3.435 10 5 GGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000594069823 567457136 /nfs/dbraw/zinc/45/71/36/567457136.db2.gz RXRZABUZWGYWGV-PWSUYJOCSA-N 0 0 389.271 3.496 10 5 GGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000594069819 567457405 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/nfs/dbraw/zinc/52/84/43/567528443.db2.gz PRTHHGVJHHUFKW-UHFFFAOYSA-N 0 0 398.238 3.307 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000551668873 567528632 /nfs/dbraw/zinc/52/86/32/567528632.db2.gz XNJVQJVKCOYJMU-MRVPVSSYSA-N 0 0 396.163 3.180 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cnc(CC2CC2)nc1 ZINC000551681554 567528876 /nfs/dbraw/zinc/52/88/76/567528876.db2.gz VFPCTBUFBJIPEG-UHFFFAOYSA-N 0 0 391.225 3.281 10 5 GGBERN O=C(Cn1ccc(C(F)(F)F)n1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551668901 567528947 /nfs/dbraw/zinc/52/89/47/567528947.db2.gz YLAWCRRBKIXGCV-UHFFFAOYSA-N 0 0 393.119 3.211 10 5 GGBERN CC(C)CCn1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)nn1 ZINC000571032730 567531868 /nfs/dbraw/zinc/53/18/68/567531868.db2.gz HJPQIDVVYXAPDV-UHFFFAOYSA-N 0 0 382.218 3.247 10 5 GGBERN CC1(C)CCC[C@@](O)(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000438480918 567533556 /nfs/dbraw/zinc/53/35/56/567533556.db2.gz GQGHGTHQXHMHJY-INIZCTEOSA-N 0 0 385.258 3.418 10 5 GGBERN O=[N+]([O-])c1ccc([O-])cc1CN(CCO)Cc1cc(Br)cs1 ZINC000571109009 567538046 /nfs/dbraw/zinc/53/80/46/567538046.db2.gz IKWCZKOSJOTMTD-UHFFFAOYSA-N 0 0 387.255 3.119 10 5 GGBERN CSc1nnc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)s1 ZINC000438641988 567540065 /nfs/dbraw/zinc/54/00/65/567540065.db2.gz AFMBADMSCHSRRD-UHFFFAOYSA-N 0 0 378.357 3.117 10 5 GGBERN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458336706 567540792 /nfs/dbraw/zinc/54/07/92/567540792.db2.gz PXNOBABIWMKMLY-UWVGGRQHSA-N 0 0 378.397 3.422 10 5 GGBERN Cn1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1C(F)F ZINC000551882969 567541173 /nfs/dbraw/zinc/54/11/73/567541173.db2.gz RDJSNXTUFIOSKG-UHFFFAOYSA-N 0 0 375.129 3.281 10 5 GGBERN O=C(c1sc2c(c1Br)CNC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595252413 567550082 /nfs/dbraw/zinc/55/00/82/567550082.db2.gz HKPSIBIQLBEJNR-UHFFFAOYSA-N 0 0 394.250 3.225 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595352225 567557761 /nfs/dbraw/zinc/55/77/61/567557761.db2.gz ARRPWAALBAFGLK-CVEARBPZSA-N 0 0 384.479 3.001 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000438954165 567557893 /nfs/dbraw/zinc/55/78/93/567557893.db2.gz IVDSZUPPIIHBHY-SNVBAGLBSA-N 0 0 379.766 3.265 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595352248 567557954 /nfs/dbraw/zinc/55/79/54/567557954.db2.gz ARRPWAALBAFGLK-JKSUJKDBSA-N 0 0 384.479 3.001 10 5 GGBERN CC1(C)[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1(F)F ZINC000595354882 567558219 /nfs/dbraw/zinc/55/82/19/567558219.db2.gz YIWUPTKRCAVOQB-JTQLQIEISA-N 0 0 388.314 3.183 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000595381291 567560650 /nfs/dbraw/zinc/56/06/50/567560650.db2.gz VQMSNPWLMBMFMP-APHBMKBZSA-N 0 0 382.800 3.004 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ncc(Br)cc1Cl)CC2 ZINC000595422030 567563803 /nfs/dbraw/zinc/56/38/03/567563803.db2.gz DXOXHHMTIYLEKH-UHFFFAOYSA-N 0 0 383.633 3.359 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000439107647 567565404 /nfs/dbraw/zinc/56/54/04/567565404.db2.gz AWZUJKHPRMOZPS-UHFFFAOYSA-N 0 0 382.825 3.354 10 5 GGBERN Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1[N+](=O)[O-] ZINC000571469538 567565513 /nfs/dbraw/zinc/56/55/13/567565513.db2.gz AWPVWNHQKNAETH-GFCCVEGCSA-N 0 0 383.495 3.066 10 5 GGBERN CO[C@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000479951164 567571165 /nfs/dbraw/zinc/57/11/65/567571165.db2.gz UNUDDPYEBXSVNA-OTYXRUKQSA-N 0 0 390.870 3.364 10 5 GGBERN CO[C@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000479951165 567572066 /nfs/dbraw/zinc/57/20/66/567572066.db2.gz UNUDDPYEBXSVNA-XPTSAGLGSA-N 0 0 390.870 3.364 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000439225216 567573472 /nfs/dbraw/zinc/57/34/72/567573472.db2.gz RDBNBYHRNNZONX-NXEZZACHSA-N 0 0 391.287 3.475 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439271278 567579460 /nfs/dbraw/zinc/57/94/60/567579460.db2.gz IMVNVCFLLRVXNW-UONOGXRCSA-N 0 0 397.269 3.175 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(Cl)s3)c2c1 ZINC000571678754 567580824 /nfs/dbraw/zinc/58/08/24/567580824.db2.gz WABRNDYFAYVXLU-UHFFFAOYSA-N 0 0 385.854 3.312 10 5 GGBERN Cc1c(NC(=O)NC2(C[NH+](C)C)CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000439401935 567583826 /nfs/dbraw/zinc/58/38/26/567583826.db2.gz FNHKLLPJBWUSGB-UHFFFAOYSA-N 0 0 385.262 3.272 10 5 GGBERN CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595851309 567586740 /nfs/dbraw/zinc/58/67/40/567586740.db2.gz QROZAVWFHCRGJP-CYBMUJFWSA-N 0 0 384.274 3.094 10 5 GGBERN CO[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000552398250 567587487 /nfs/dbraw/zinc/58/74/87/567587487.db2.gz IHHCAPDDAIUFLV-CQSZACIVSA-N 0 0 381.182 3.389 10 5 GGBERN O=C(N[C@H](CO)c1ccsc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505639245 567590460 /nfs/dbraw/zinc/59/04/60/567590460.db2.gz YKPZLMQNYJYDFH-CYBMUJFWSA-N 0 0 375.431 3.243 10 5 GGBERN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1Br ZINC000530323095 567592088 /nfs/dbraw/zinc/59/20/88/567592088.db2.gz VAXHOKGRVCYOES-UHFFFAOYSA-N 0 0 381.230 3.010 10 5 GGBERN C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCS1 ZINC000505732972 567593975 /nfs/dbraw/zinc/59/39/75/567593975.db2.gz HKVUAMBUPCWYKX-SNVBAGLBSA-N 0 0 377.388 3.380 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000552493340 567594080 /nfs/dbraw/zinc/59/40/80/567594080.db2.gz JBDKMYUBRNPRET-UHFFFAOYSA-N 0 0 393.172 3.355 10 5 GGBERN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000530345633 567595436 /nfs/dbraw/zinc/59/54/36/567595436.db2.gz UEDWTCZYJWIOJY-SECBINFHSA-N 0 0 382.214 3.195 10 5 GGBERN Cc1c(Br)c(N2Cc3cnn(C)c3CC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000596001521 567598017 /nfs/dbraw/zinc/59/80/17/567598017.db2.gz WUHMCCMPXPUMGC-UHFFFAOYSA-N 0 0 394.273 3.383 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@]2(CCSC2)C1 ZINC000571924895 567599891 /nfs/dbraw/zinc/59/98/91/567599891.db2.gz SSCWWBGBMYAQIL-OAHLLOKOSA-N 0 0 388.898 3.075 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCOCc3ccccc32)cc1[N+](=O)[O-] ZINC000480421332 567603315 /nfs/dbraw/zinc/60/33/15/567603315.db2.gz PWOMNNDARSTSEK-UHFFFAOYSA-N 0 0 382.825 3.282 10 5 GGBERN COC(=O)c1ccccc1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552743066 567606784 /nfs/dbraw/zinc/60/67/84/567606784.db2.gz HNTPTDJEYWDDQO-UHFFFAOYSA-N 0 0 393.193 3.325 10 5 GGBERN CCN(CC)C(=O)CCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552743582 567607115 /nfs/dbraw/zinc/60/71/15/567607115.db2.gz PXFHHGFUZGKJNB-UHFFFAOYSA-N 0 0 386.246 3.335 10 5 GGBERN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccc([N+](=O)[O-])cn1 ZINC000530501469 567607345 /nfs/dbraw/zinc/60/73/45/567607345.db2.gz IHRQKZGNRGJXBI-LLVKDONJSA-N 0 0 381.219 3.305 10 5 GGBERN COc1ccc(CNc2nc(C3CC3)ncc2Br)cc1[N+](=O)[O-] ZINC000596083118 567607400 /nfs/dbraw/zinc/60/74/00/567607400.db2.gz DTGUKODHLMVMSJ-UHFFFAOYSA-N 0 0 379.214 3.067 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCn2cc(Br)cn2)c1 ZINC000480494687 567608363 /nfs/dbraw/zinc/60/83/63/567608363.db2.gz GEXANBPNDNCEME-UHFFFAOYSA-N 0 0 397.229 3.233 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439930773 567608314 /nfs/dbraw/zinc/60/83/14/567608314.db2.gz FKGCCETZRFNSKZ-NEPJUHHUSA-N 0 0 383.242 3.246 10 5 GGBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596145930 567611849 /nfs/dbraw/zinc/61/18/49/567611849.db2.gz SOPFUDFRSHZFPB-GMSGAONNSA-N 0 0 382.722 3.191 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCCC(F)(F)C1 ZINC000596166634 567612507 /nfs/dbraw/zinc/61/25/07/567612507.db2.gz WXEZEMJMCIHSJF-NSHDSACASA-N 0 0 377.413 3.273 10 5 GGBERN COc1cc(N2CCS(=O)(=O)C3(CCCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596156716 567612966 /nfs/dbraw/zinc/61/29/66/567612966.db2.gz RLNVASKTNBJXGH-UHFFFAOYSA-N 0 0 388.873 3.195 10 5 GGBERN COc1cc(NCc2ccc3c(c2)CCS3(=O)=O)c(Cl)cc1[N+](=O)[O-] ZINC000596162442 567613177 /nfs/dbraw/zinc/61/31/77/567613177.db2.gz OVYAWIWAESSCRP-UHFFFAOYSA-N 0 0 382.825 3.199 10 5 GGBERN COC(=O)c1c(Cl)c(Sc2nnc(C(F)F)n2C)ccc1[N+](=O)[O-] ZINC000596191389 567614405 /nfs/dbraw/zinc/61/44/05/567614405.db2.gz QQALKHLFSJMGFI-UHFFFAOYSA-N 0 0 378.744 3.252 10 5 GGBERN CCC1(CC)CN(c2c(Br)cccc2[N+](=O)[O-])CC[S@@]1=O ZINC000596193525 567615030 /nfs/dbraw/zinc/61/50/30/567615030.db2.gz FKMRNRFVBZBOHK-NRFANRHFSA-N 0 0 375.288 3.485 10 5 GGBERN CCC1(CC)CN(c2c(Br)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC000596208899 567615539 /nfs/dbraw/zinc/61/55/39/567615539.db2.gz KERYKIZWKGEKLV-UHFFFAOYSA-N 0 0 391.287 3.151 10 5 GGBERN O=[N+]([O-])c1ccc(OC2CN(c3nc(C4CC4)ncc3Br)C2)cc1 ZINC000596206971 567616301 /nfs/dbraw/zinc/61/63/01/567616301.db2.gz VZDMUAMKPMLIGZ-UHFFFAOYSA-N 0 0 391.225 3.292 10 5 GGBERN CCOC(=O)c1nnc(Sc2cc(OC)c([N+](=O)[O-])cc2Cl)s1 ZINC000596214605 567616309 /nfs/dbraw/zinc/61/63/09/567616309.db2.gz XEJIRCIKOXENOR-UHFFFAOYSA-N 0 0 375.815 3.436 10 5 GGBERN COC(=O)c1c(Cl)c(N2C[C@@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596229713 567617539 /nfs/dbraw/zinc/61/75/39/567617539.db2.gz DRTWDJLVGDVAJZ-XVKPBYJWSA-N 0 0 382.722 3.191 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC(F)(F)C1 ZINC000596218522 567617674 /nfs/dbraw/zinc/61/76/74/567617674.db2.gz DKHRLRXSIPBIGI-NSHDSACASA-N 0 0 377.413 3.130 10 5 GGBERN Cc1c(Br)c(N(C)[C@H](CO)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596311031 567622833 /nfs/dbraw/zinc/62/28/33/567622833.db2.gz BKIPNZYMPULPPQ-ZDUSSCGKSA-N 0 0 380.242 3.101 10 5 GGBERN Cc1c(Br)c(N[C@H]2Cc3ccccc3N(C)C2=O)ncc1[N+](=O)[O-] ZINC000596363709 567626097 /nfs/dbraw/zinc/62/60/97/567626097.db2.gz VFISUSNKDVEWCV-NSHDSACASA-N 0 0 391.225 3.060 10 5 GGBERN NS(=O)(=O)c1c(N[C@@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000530910515 567631077 /nfs/dbraw/zinc/63/10/77/567631077.db2.gz PXHVFUFDIVXFIP-OAHLLOKOSA-N 0 0 381.841 3.459 10 5 GGBERN C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000596462188 567634281 /nfs/dbraw/zinc/63/42/81/567634281.db2.gz IVHAXRRPGUMMCR-ORMTXKICSA-N 0 0 380.242 3.359 10 5 GGBERN C[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000596493816 567635676 /nfs/dbraw/zinc/63/56/76/567635676.db2.gz LRCXKJKJBIPLBH-ZJUUUORDSA-N 0 0 376.194 3.203 10 5 GGBERN CC(C)(CO)[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000459549626 567635659 /nfs/dbraw/zinc/63/56/59/567635659.db2.gz FNHHDCVPHFLDTA-ZDUSSCGKSA-N 0 0 386.246 3.276 10 5 GGBERN O=[N+]([O-])c1cncc(I)c1N1CCC[C@H](CCF)C1 ZINC000596481255 567636265 /nfs/dbraw/zinc/63/62/65/567636265.db2.gz VMNBMHWOMJOYET-SECBINFHSA-N 0 0 379.173 3.170 10 5 GGBERN CCOCCC1(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CCC1 ZINC000480856435 567636232 /nfs/dbraw/zinc/63/62/32/567636232.db2.gz YTINAZVXOWDQCQ-UHFFFAOYSA-N 0 0 390.889 3.432 10 5 GGBERN CC(C)[C@H](O)[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000596516654 567637033 /nfs/dbraw/zinc/63/70/33/567637033.db2.gz GOPWTWXACMPMIH-CABCVRRESA-N 0 0 384.479 3.230 10 5 GGBERN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H](CC(F)(F)F)O1 ZINC000596553092 567638500 /nfs/dbraw/zinc/63/85/00/567638500.db2.gz FAKZMPAOQPCRAH-IONNQARKSA-N 0 0 384.152 3.298 10 5 GGBERN C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000596555899 567639992 /nfs/dbraw/zinc/63/99/92/567639992.db2.gz UMTFJNBGKCDJJY-IONNQARKSA-N 0 0 384.152 3.298 10 5 GGBERN O=c1[nH]c(NCc2cc(F)cc(Br)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000553287440 567640265 /nfs/dbraw/zinc/64/02/65/567640265.db2.gz PSZSATJWDOULEP-UHFFFAOYSA-N 0 0 393.172 3.179 10 5 GGBERN C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000596555900 567640197 /nfs/dbraw/zinc/64/01/97/567640197.db2.gz UMTFJNBGKCDJJY-VXNVDRBHSA-N 0 0 384.152 3.298 10 5 GGBERN Cc1c(Br)c(N2CCO[C@@H](CC(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000596559122 567640414 /nfs/dbraw/zinc/64/04/14/567640414.db2.gz WTFNSERVADUNNT-QMMMGPOBSA-N 0 0 384.152 3.218 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC3(CCC3)[C@H]2c2ccncc2)s1 ZINC000596572544 567641223 /nfs/dbraw/zinc/64/12/23/567641223.db2.gz FNPPEUVKEQDXSQ-CQSZACIVSA-N 0 0 379.463 3.186 10 5 GGBERN CN(C)S(=O)(=O)c1ccc(NCC(C)(C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000596580118 567641357 /nfs/dbraw/zinc/64/13/57/567641357.db2.gz BJJIMWBMNLKEFI-UHFFFAOYSA-N 0 0 383.392 3.236 10 5 GGBERN CC(C)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000596578560 567641475 /nfs/dbraw/zinc/64/14/75/567641475.db2.gz QWPNENLUYPZELU-UHFFFAOYSA-N 0 0 381.738 3.282 10 5 GGBERN COC(=O)c1sc2c(c1Br)CN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC000596567668 567641488 /nfs/dbraw/zinc/64/14/88/567641488.db2.gz UPELWPWKCJISNL-UHFFFAOYSA-N 0 0 398.238 3.429 10 5 GGBERN CC1(C)OC[C@@H]2C[C@@]21c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000596587618 567642294 /nfs/dbraw/zinc/64/22/94/567642294.db2.gz VDNCNDLYCNQUCU-QFYYESIMSA-N 0 0 394.225 3.398 10 5 GGBERN CC1(C)OC[C@H]2C[C@]21c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000596587619 567642575 /nfs/dbraw/zinc/64/25/75/567642575.db2.gz VDNCNDLYCNQUCU-QLJPJBMISA-N 0 0 394.225 3.398 10 5 GGBERN CO[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[C@@H]1CCOC1 ZINC000596586189 567642706 /nfs/dbraw/zinc/64/27/06/567642706.db2.gz FXVXBUCVQKZHBV-YGRLFVJLSA-N 0 0 398.213 3.055 10 5 GGBERN CO[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[C@H]1CCOC1 ZINC000596586187 567642778 /nfs/dbraw/zinc/64/27/78/567642778.db2.gz FXVXBUCVQKZHBV-IINYFYTJSA-N 0 0 398.213 3.055 10 5 GGBERN O=[N+]([O-])c1ccc(-c2noc([C@@H](C[C@@H]3COCCO3)C(F)(F)F)n2)s1 ZINC000596593598 567643075 /nfs/dbraw/zinc/64/30/75/567643075.db2.gz DXRFLPYVEMKZNZ-HTQZYQBOSA-N 0 0 379.316 3.158 10 5 GGBERN O=c1[nH]c(NCc2ccc(Br)c(F)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000553339215 567646057 /nfs/dbraw/zinc/64/60/57/567646057.db2.gz CMQOPGGTPRLKJN-UHFFFAOYSA-N 0 0 393.172 3.179 10 5 GGBERN CS(=O)(=O)N1CCCC[C@@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000553386580 567648902 /nfs/dbraw/zinc/64/89/02/567648902.db2.gz UCDFRAYJKAPJKV-SECBINFHSA-N 0 0 382.269 3.128 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1NCc1ccc(I)cc1Cl ZINC000481066289 567655573 /nfs/dbraw/zinc/65/55/73/567655573.db2.gz ALRJEHYXVPZTQZ-UHFFFAOYSA-N 0 0 392.584 3.198 10 5 GGBERN CNC(=O)C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000481093798 567658526 /nfs/dbraw/zinc/65/85/26/567658526.db2.gz QMGANIWKWOZSLN-CYBMUJFWSA-N 0 0 379.214 3.042 10 5 GGBERN C[C@]1(c2ccc(F)cc2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000481119893 567659507 /nfs/dbraw/zinc/65/95/07/567659507.db2.gz YJRXACVRUCSLLE-INIZCTEOSA-N 0 0 384.454 3.367 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@@](O)(C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596887451 567662090 /nfs/dbraw/zinc/66/20/90/567662090.db2.gz CUVYYDHURUNRCK-INIZCTEOSA-N 0 0 398.257 3.435 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2C[C@H](O)C23CCC3)cc(Br)cc1[N+](=O)[O-] ZINC000596889193 567662124 /nfs/dbraw/zinc/66/21/24/567662124.db2.gz WHNNOKDNXFPIST-OLZOCXBDSA-N 0 0 384.230 3.091 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@](O)(C2CC2)C1 ZINC000596899362 567662195 /nfs/dbraw/zinc/66/21/95/567662195.db2.gz GCJQVJDUTZJNSY-OAHLLOKOSA-N 0 0 384.230 3.126 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2C[C@H](C)n3ncnc32)cc(Br)cc1[N+](=O)[O-] ZINC000596889153 567662365 /nfs/dbraw/zinc/66/23/65/567662365.db2.gz VAAQOGXYOFBTAY-WRWORJQWSA-N 0 0 395.217 3.085 10 5 GGBERN Cn1ncc(C2CC2)c1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000596900841 567663637 /nfs/dbraw/zinc/66/36/37/567663637.db2.gz YGZYCBLGZKALKF-UHFFFAOYSA-N 0 0 394.229 3.290 10 5 GGBERN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1OC ZINC000553569362 567667487 /nfs/dbraw/zinc/66/74/87/567667487.db2.gz CHKDHVNIUAONBI-SNVBAGLBSA-N 0 0 386.451 3.021 10 5 GGBERN O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[nH][nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000531635991 567669888 /nfs/dbraw/zinc/66/98/88/567669888.db2.gz HDYWLUSIPWKDLE-UHFFFAOYSA-N 0 0 378.175 3.361 10 5 GGBERN CCc1nc(C(C)(C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])no1 ZINC000441726550 567673803 /nfs/dbraw/zinc/67/38/03/567673803.db2.gz HAMZOHACKJLFRA-UHFFFAOYSA-N 0 0 389.231 3.029 10 5 GGBERN Nc1c(NC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597102348 567680494 /nfs/dbraw/zinc/68/04/94/567680494.db2.gz XFKSYMOLVBYDQV-ZUZCIYMTSA-N 0 0 386.861 3.007 10 5 GGBERN Nc1c(NC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093840 567680690 /nfs/dbraw/zinc/68/06/90/567680690.db2.gz YUSBTPNBAJHCOV-SNVBAGLBSA-N 0 0 385.211 3.159 10 5 GGBERN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105104 567680716 /nfs/dbraw/zinc/68/07/16/567680716.db2.gz WHTSPMHXHVZFBK-YBCXYELXSA-N 0 0 388.877 3.032 10 5 GGBERN C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@](C)(C(F)F)O1 ZINC000597092580 567681016 /nfs/dbraw/zinc/68/10/16/567681016.db2.gz OLBILJWSVNRQJB-UOWDBTKRSA-N 0 0 378.763 3.107 10 5 GGBERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105100 567681042 /nfs/dbraw/zinc/68/10/42/567681042.db2.gz WHTSPMHXHVZFBK-JJPWZELDSA-N 0 0 388.877 3.032 10 5 GGBERN Nc1c(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597103896 567681126 /nfs/dbraw/zinc/68/11/26/567681126.db2.gz MGFUTAZSHHKAEM-CYBMUJFWSA-N 0 0 382.829 3.497 10 5 GGBERN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1Br ZINC000531878342 567685601 /nfs/dbraw/zinc/68/56/01/567685601.db2.gz FAVOLZBJKIZYIU-SECBINFHSA-N 0 0 380.198 3.252 10 5 GGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000573122416 567689105 /nfs/dbraw/zinc/68/91/05/567689105.db2.gz GZMMKILDUOCLTP-KRWDZBQOSA-N 0 0 382.507 3.445 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000460461082 567689174 /nfs/dbraw/zinc/68/91/74/567689174.db2.gz KMKCFRRYJFYUKM-UHFFFAOYSA-N 0 0 386.788 3.352 10 5 GGBERN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531969355 567691155 /nfs/dbraw/zinc/69/11/55/567691155.db2.gz IUDVUHCXDJRQIP-VIFPVBQESA-N 0 0 382.189 3.252 10 5 GGBERN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531969354 567691260 /nfs/dbraw/zinc/69/12/60/567691260.db2.gz IUDVUHCXDJRQIP-SECBINFHSA-N 0 0 382.189 3.252 10 5 GGBERN Cc1c(Br)cncc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000597628209 567709008 /nfs/dbraw/zinc/70/90/08/567709008.db2.gz SYJDRZRLGMKYJO-UHFFFAOYSA-N 0 0 378.226 3.375 10 5 GGBERN O=C(NC1(C(F)(F)F)CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000554215844 567716203 /nfs/dbraw/zinc/71/62/03/567716203.db2.gz ZHNMDZPFFJQECH-UHFFFAOYSA-N 0 0 397.147 3.199 10 5 GGBERN C[C@@H](NS(=O)(=O)c1cnccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000442915738 567716907 /nfs/dbraw/zinc/71/69/07/567716907.db2.gz SAOLLFOZAKKSEO-SECBINFHSA-N 0 0 375.328 3.048 10 5 GGBERN COc1ccc2c(c1)CCC[C@H]2N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000554239758 567717943 /nfs/dbraw/zinc/71/79/43/567717943.db2.gz RAPCTOJASFBKND-CQSZACIVSA-N 0 0 382.463 3.363 10 5 GGBERN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccn1 ZINC000597863953 567721106 /nfs/dbraw/zinc/72/11/06/567721106.db2.gz KBTIWTFHAWJLKJ-NSHDSACASA-N 0 0 378.226 3.215 10 5 GGBERN CC[C@H](COCC1CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000597918697 567724376 /nfs/dbraw/zinc/72/43/76/567724376.db2.gz HGWKJZQNTGLTEC-CYBMUJFWSA-N 0 0 385.258 3.221 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597924608 567725477 /nfs/dbraw/zinc/72/54/77/567725477.db2.gz QRCSMDKJVOWYGD-MRXNPFEDSA-N 0 0 383.242 3.307 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000597925572 567726230 /nfs/dbraw/zinc/72/62/30/567726230.db2.gz OAVYEYXRQKWNDP-INIZCTEOSA-N 0 0 383.242 3.307 10 5 GGBERN CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2cc(F)ccc21 ZINC000508126134 567731805 /nfs/dbraw/zinc/73/18/05/567731805.db2.gz SITGWALLBRXOSE-UHFFFAOYSA-N 0 0 385.442 3.221 10 5 GGBERN CCc1cnc(N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)s1 ZINC000461409196 567734704 /nfs/dbraw/zinc/73/47/04/567734704.db2.gz TWXGAHAGAWNCIZ-UHFFFAOYSA-N 0 0 380.857 3.230 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000443200205 567738495 /nfs/dbraw/zinc/73/84/95/567738495.db2.gz GBFJVWCARHZXCY-AWEZNQCLSA-N 0 0 382.825 3.228 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000598191391 567744739 /nfs/dbraw/zinc/74/47/39/567744739.db2.gz QJVVPWNDELPOJE-AWEZNQCLSA-N 0 0 384.219 3.411 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c(Br)c1 ZINC000533007188 567747348 /nfs/dbraw/zinc/74/73/48/567747348.db2.gz SFJXGQKMXKYIHZ-MRVPVSSYSA-N 0 0 399.213 3.214 10 5 GGBERN CCC(CC)(CCO)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000443330733 567749826 /nfs/dbraw/zinc/74/98/26/567749826.db2.gz CGQKHYUKLTVBNW-UHFFFAOYSA-N 0 0 378.878 3.024 10 5 GGBERN Cc1ccnc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)n1 ZINC000554806347 567750266 /nfs/dbraw/zinc/75/02/66/567750266.db2.gz KACOHPIREPPJJL-UHFFFAOYSA-N 0 0 376.170 3.097 10 5 GGBERN CC(C)Nc1cc(Br)ccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598234716 567751141 /nfs/dbraw/zinc/75/11/41/567751141.db2.gz KNZRBFHHQPCADL-UHFFFAOYSA-N 0 0 382.218 3.163 10 5 GGBERN CCc1nc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)no1 ZINC000574062352 567753415 /nfs/dbraw/zinc/75/34/15/567753415.db2.gz DVKGHSGBHKPVSR-UHFFFAOYSA-N 0 0 397.229 3.276 10 5 GGBERN CN(Cc1ccc(Br)o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000508532278 567753596 /nfs/dbraw/zinc/75/35/96/567753596.db2.gz MFMXQZLWGSPFGC-UHFFFAOYSA-N 0 0 392.213 3.382 10 5 GGBERN O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443414513 567756174 /nfs/dbraw/zinc/75/61/74/567756174.db2.gz OPFRCFRYOQRORQ-LLVKDONJSA-N 0 0 376.718 3.032 10 5 GGBERN COc1ccc(Br)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533278723 567762617 /nfs/dbraw/zinc/76/26/17/567762617.db2.gz CJJXVCKVJONGMP-UHFFFAOYSA-N 0 0 380.198 3.033 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCC[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000443496481 567762686 /nfs/dbraw/zinc/76/26/86/567762686.db2.gz ZGOKCXVTFRFTMC-MLGOLLRUSA-N 0 0 390.889 3.166 10 5 GGBERN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000598427583 567766601 /nfs/dbraw/zinc/76/66/01/567766601.db2.gz HEAFRKZLTWNORT-CYBMUJFWSA-N 0 0 395.257 3.325 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCn3c(cc4ccccc43)C2)s1 ZINC000462085505 567768165 /nfs/dbraw/zinc/76/81/65/567768165.db2.gz BFIOZXSODUGFAJ-UHFFFAOYSA-N 0 0 377.447 3.035 10 5 GGBERN CN(CCc1cccc(Br)c1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000462085431 567768643 /nfs/dbraw/zinc/76/86/43/567768643.db2.gz RUWASCILSLSDHM-UHFFFAOYSA-N 0 0 376.214 3.079 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000598469314 567769953 /nfs/dbraw/zinc/76/99/53/567769953.db2.gz PVDYBSRSDCOHRX-UHFFFAOYSA-N 0 0 393.241 3.103 10 5 GGBERN CN(CCOc1ccccc1Cl)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443700139 567771056 /nfs/dbraw/zinc/77/10/56/567771056.db2.gz SVOQHFWRCHFQLD-UHFFFAOYSA-N 0 0 384.841 3.089 10 5 GGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598510859 567772398 /nfs/dbraw/zinc/77/23/98/567772398.db2.gz XSJJDLYRUZEAEX-ZYHUDNBSSA-N 0 0 378.372 3.255 10 5 GGBERN C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000598510826 567772557 /nfs/dbraw/zinc/77/25/57/567772557.db2.gz XQCQVWUGBSKPGX-PWSUYJOCSA-N 0 0 378.372 3.255 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000598509392 567772841 /nfs/dbraw/zinc/77/28/41/567772841.db2.gz UASYVKTUQLJSNN-UWVGGRQHSA-N 0 0 378.372 3.499 10 5 GGBERN C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000598510823 567772939 /nfs/dbraw/zinc/77/29/39/567772939.db2.gz XQCQVWUGBSKPGX-CMPLNLGQSA-N 0 0 378.372 3.255 10 5 GGBERN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](CC(F)(F)F)O1 ZINC000598507031 567772964 /nfs/dbraw/zinc/77/29/64/567772964.db2.gz JLONXHNIIXKOEN-BXKDBHETSA-N 0 0 380.750 3.359 10 5 GGBERN CSc1ccc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000598508405 567773006 /nfs/dbraw/zinc/77/30/06/567773006.db2.gz PVIFJNLQHTZNJW-ONGXEEELSA-N 0 0 378.372 3.499 10 5 GGBERN C[C@]1(C(F)F)CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000598576030 567777366 /nfs/dbraw/zinc/77/73/66/567777366.db2.gz YAGZPWUUBWTMEQ-CQSZACIVSA-N 0 0 380.800 3.223 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc3c(cc2Br)CCC3)n1 ZINC000443863480 567778070 /nfs/dbraw/zinc/77/80/70/567778070.db2.gz XOEXZULBLWJMLQ-UHFFFAOYSA-N 0 0 379.214 3.315 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000598628982 567780047 /nfs/dbraw/zinc/78/00/47/567780047.db2.gz WNCOUXIDZPJEKT-HNNXBMFYSA-N 0 0 376.425 3.271 10 5 GGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H](C(F)F)C2CCCCC2)cc1 ZINC000598628028 567780205 /nfs/dbraw/zinc/78/02/05/567780205.db2.gz KMMBBZBAFADBPF-OAHLLOKOSA-N 0 0 376.425 3.271 10 5 GGBERN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(Cl)cn1 ZINC000443966597 567782653 /nfs/dbraw/zinc/78/26/53/567782653.db2.gz WZTHMQYSGKYZAA-UHFFFAOYSA-N 0 0 383.191 3.055 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@H]([C@H](C)O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000574628537 567789279 /nfs/dbraw/zinc/78/92/79/567789279.db2.gz SIKZQQPBCYZWKQ-QWRGUYRKSA-N 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567799781 /nfs/dbraw/zinc/79/97/81/567799781.db2.gz AHCKKVHIOZFXAS-LLVKDONJSA-N 0 0 376.210 3.212 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1CN1CCc2nccc(Br)c2C1 ZINC000598947087 567799821 /nfs/dbraw/zinc/79/98/21/567799821.db2.gz YBPSUQSDCSUBGA-UHFFFAOYSA-N 0 0 378.226 3.319 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NC[C@H](n1cccn1)C(F)(F)F ZINC000599117121 567806378 /nfs/dbraw/zinc/80/63/78/567806378.db2.gz MBUCNARFUSFGJN-VIFPVBQESA-N 0 0 380.124 3.164 10 5 GGBERN Cn1ncc(C(F)(F)F)c1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000599123736 567806436 /nfs/dbraw/zinc/80/64/36/567806436.db2.gz HILJDJYDYIHSGR-UHFFFAOYSA-N 0 0 380.124 3.117 10 5 GGBERN CC1(C)C[C@@H](Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CO1 ZINC000599125786 567806482 /nfs/dbraw/zinc/80/64/82/567806482.db2.gz RHWBCIXZKKBHMB-CYBMUJFWSA-N 0 0 386.495 3.039 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599122217 567806487 /nfs/dbraw/zinc/80/64/87/567806487.db2.gz CDTUQGCWMKHWOW-XOKHGSTOSA-N 0 0 378.837 3.402 10 5 GGBERN COc1cc(Br)ccc1[C@@H]1CCCN1c1c([N+](=O)[O-])ncn1C ZINC000599145397 567806973 /nfs/dbraw/zinc/80/69/73/567806973.db2.gz UNPUNILHCKBTAO-LBPRGKRZSA-N 0 0 381.230 3.441 10 5 GGBERN Cc1c(Br)c(NC[C@@H]2c3ccccc3C(=O)N2C)ncc1[N+](=O)[O-] ZINC000599162987 567807568 /nfs/dbraw/zinc/80/75/68/567807568.db2.gz CMKBSOHOYNCVSU-CYBMUJFWSA-N 0 0 391.225 3.300 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000599167683 567808497 /nfs/dbraw/zinc/80/84/97/567808497.db2.gz WHCLXIGWJYQOBG-OAUYIBNBSA-N 0 0 378.837 3.402 10 5 GGBERN Cc1c(Br)c(NCC(C)(C)C(=O)N2CCCC2)ncc1[N+](=O)[O-] ZINC000599169959 567808771 /nfs/dbraw/zinc/80/87/71/567808771.db2.gz LXOXGVXQESXLGO-UHFFFAOYSA-N 0 0 385.262 3.121 10 5 GGBERN COc1cc(Cc2noc(-c3ncsc3Br)n2)ccc1[N+](=O)[O-] ZINC000575025257 567808855 /nfs/dbraw/zinc/80/88/55/567808855.db2.gz HWPJOFKNEUROHL-UHFFFAOYSA-N 0 0 397.210 3.463 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(-n2ccnc2)ccn1 ZINC000575011047 567809046 /nfs/dbraw/zinc/80/90/46/567809046.db2.gz NFQNIUXZNXWPRT-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN CCc1nn(C)c(N2CCc3cc(F)cc(Br)c3C2)c1[N+](=O)[O-] ZINC000599195419 567810262 /nfs/dbraw/zinc/81/02/62/567810262.db2.gz FECLKPJBFYNBQY-UHFFFAOYSA-N 0 0 383.221 3.355 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CO)c3cccc(Br)c3)nc2c1 ZINC000444675617 567810322 /nfs/dbraw/zinc/81/03/22/567810322.db2.gz RXDDMQWRCQSZOP-HNNXBMFYSA-N 0 0 391.225 3.057 10 5 GGBERN CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1F ZINC000444690231 567811020 /nfs/dbraw/zinc/81/10/20/567811020.db2.gz JCHOSCIWHCQVAG-UHFFFAOYSA-N 0 0 386.832 3.293 10 5 GGBERN CCC(F)(F)C(C)(C)CS(=O)(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599226951 567811130 /nfs/dbraw/zinc/81/11/30/567811130.db2.gz NYEXCAIBKSRATH-UHFFFAOYSA-N 0 0 380.413 3.094 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000534636771 567815471 /nfs/dbraw/zinc/81/54/71/567815471.db2.gz RTZHXSCMWJVGEY-INIZCTEOSA-N 0 0 381.841 3.381 10 5 GGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000048278820 570230759 /nfs/dbraw/zinc/23/07/59/570230759.db2.gz LGOVJEFEDYVEPV-KRWDZBQOSA-N 0 0 386.383 3.219 10 5 GGBERN CC[C@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1F ZINC000072304153 570262557 /nfs/dbraw/zinc/26/25/57/570262557.db2.gz STIZQJKPICXYHT-YOEHRIQHSA-N 0 0 382.413 3.062 10 5 GGBERN Cc1c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000012879874 570277314 /nfs/dbraw/zinc/27/73/14/570277314.db2.gz YJJAVAXPKFESPM-MRXNPFEDSA-N 0 0 396.447 3.192 10 5 GGBERN Cc1c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000012879881 570277402 /nfs/dbraw/zinc/27/74/02/570277402.db2.gz YJJAVAXPKFESPM-INIZCTEOSA-N 0 0 396.447 3.192 10 5 GGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2ccncc2)n(C)c1=S ZINC000024654670 570277393 /nfs/dbraw/zinc/27/73/93/570277393.db2.gz IXZCTYZIVPATJJ-LBPRGKRZSA-N 0 0 382.449 3.330 10 5 GGBERN O=C(Cc1ccccc1[N+](=O)[O-])OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024685020 570278928 /nfs/dbraw/zinc/27/89/28/570278928.db2.gz SWZRCBSNCUJBFB-UHFFFAOYSA-N 0 0 395.396 3.103 10 5 GGBERN C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012895559 570287078 /nfs/dbraw/zinc/28/70/78/570287078.db2.gz ZGXPNTGTLIDUHA-GFCCVEGCSA-N 0 0 388.351 3.267 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(C)nn1-c1ccccc1 ZINC000012914978 570292376 /nfs/dbraw/zinc/29/23/76/570292376.db2.gz GTTPCLWAABWRBB-UHFFFAOYSA-N 0 0 382.376 3.115 10 5 GGBERN Cc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3C(C)C)CC2)cc1[N+](=O)[O-] ZINC000000697457 570293258 /nfs/dbraw/zinc/29/32/58/570293258.db2.gz SUNZGVGSUOLURZ-UHFFFAOYSA-N 0 0 397.479 3.396 10 5 GGBERN Cn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000012927966 570298006 /nfs/dbraw/zinc/29/80/06/570298006.db2.gz DXPUCRBRQFUUJI-UHFFFAOYSA-N 0 0 394.387 3.409 10 5 GGBERN C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000012938307 570313313 /nfs/dbraw/zinc/31/33/13/570313313.db2.gz 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NC(=O)c1ccc(Oc2cccc(C(=O)NCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000006788391 570593953 /nfs/dbraw/zinc/59/39/53/570593953.db2.gz PHUJFVJAPFQDRJ-UHFFFAOYSA-N 0 0 391.383 3.416 10 5 GGBERN Cc1noc([C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C(C)C)n1 ZINC000129046700 570742528 /nfs/dbraw/zinc/74/25/28/570742528.db2.gz KYIBGKYWJXQZSK-LBPRGKRZSA-N 0 0 390.368 3.092 10 5 GGBERN O=C(NC(=O)c1ccccc1Cl)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001036373 570747679 /nfs/dbraw/zinc/74/76/79/570747679.db2.gz RABZALFZCNPYDE-UHFFFAOYSA-N 0 0 387.735 3.317 10 5 GGBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000025514820 570756902 /nfs/dbraw/zinc/75/69/02/570756902.db2.gz USPWFJXZYJSGPH-KXBFYZLASA-N 0 0 384.436 3.178 10 5 GGBERN C[C@H]1CCCN([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000036644163 570781831 /nfs/dbraw/zinc/78/18/31/570781831.db2.gz HIPHZGNFRQKINA-DJJJIMSYSA-N 0 0 389.452 3.155 10 5 GGBERN C[C@@H]1CCCN([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000036644161 570781865 /nfs/dbraw/zinc/78/18/65/570781865.db2.gz HIPHZGNFRQKINA-YJYMSZOUSA-N 0 0 389.452 3.155 10 5 GGBERN O=C(Nc1cccc(CNc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1)c1ccco1 ZINC000025571188 570791798 /nfs/dbraw/zinc/79/17/98/570791798.db2.gz FENIMIWIMRKWBF-UHFFFAOYSA-N 0 0 394.391 3.417 10 5 GGBERN Cc1cc(=O)c(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000032778164 570800722 /nfs/dbraw/zinc/80/07/22/570800722.db2.gz FFSRSMCPTURCJE-OAHLLOKOSA-N 0 0 392.415 3.282 10 5 GGBERN Cc1cc(=O)c(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000032778165 570800750 /nfs/dbraw/zinc/80/07/50/570800750.db2.gz FFSRSMCPTURCJE-HNNXBMFYSA-N 0 0 392.415 3.282 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2ccccc2N2CCCC2=O)c1C ZINC000012514891 570825135 /nfs/dbraw/zinc/82/51/35/570825135.db2.gz ZXWCNSMMCKWPJT-UHFFFAOYSA-N 0 0 382.420 3.389 10 5 GGBERN COC(=O)c1cccc2c3c([nH]c21)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C3 ZINC000032818613 570831110 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CCCCCC(=O)NC1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC000273907938 1435027545 /nfs/dbraw/zinc/02/75/45/1435027545.db2.gz AAXLGTHURYFXCE-UHFFFAOYSA-N 0 0 383.395 3.174 10 5 GGBERN COCCN1C(=O)CCc2cc(NCc3ccc(OC)c([N+](=O)[O-])c3)ccc21 ZINC000275043240 1435112255 /nfs/dbraw/zinc/11/22/55/1435112255.db2.gz HUDCYEQRVHIMBN-UHFFFAOYSA-N 0 0 385.420 3.141 10 5 GGBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000279323529 1435486330 /nfs/dbraw/zinc/48/63/30/1435486330.db2.gz CBJFJTZJPWURQG-MSOLQXFVSA-N 0 0 389.383 3.251 10 5 GGBERN O=c1[nH]c(N2CC[C@H](COCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000281098000 1435773252 /nfs/dbraw/zinc/77/32/52/1435773252.db2.gz DYPFNHSZEGMXPA-HNNXBMFYSA-N 0 0 380.404 3.287 10 5 GGBERN O=c1[nH]c(N2CC[C@@H](COCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000281098001 1435773433 /nfs/dbraw/zinc/77/34/33/1435773433.db2.gz DYPFNHSZEGMXPA-OAHLLOKOSA-N 0 0 380.404 3.287 10 5 GGBERN O=C(O[C@H]1C[N+]2([O-])CCC1CC2)N1C[C@@H](O)c2ccccc2[C@H]1c1ccccc1 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/nfs/dbraw/zinc/25/96/67/206259667.db2.gz MUFGWYIMSASDIL-UHFFFAOYSA-N 0 0 390.359 3.391 10 5 GGBERN CO[C@@H]1CCCN(c2nc(N3CCC[C@H](OC)CC3)sc2[N+](=O)[O-])CC1 ZINC000359901119 206268575 /nfs/dbraw/zinc/26/85/75/206268575.db2.gz QTPADYMEVQYVAI-KGLIPLIRSA-N 0 0 384.502 3.062 10 5 GGBERN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC(c2nnc3ccccn32)CC1 ZINC000096891830 206302044 /nfs/dbraw/zinc/30/20/44/206302044.db2.gz CZHBCHGYMABJOO-HJWRWDBZSA-N 0 0 377.404 3.057 10 5 GGBERN O=C(NCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000000850963 206327968 /nfs/dbraw/zinc/32/79/68/206327968.db2.gz XMPLPCDAOAXXRG-AQTBWJFISA-N 0 0 391.383 3.275 10 5 GGBERN CCOC(=O)[C@@H](C(C)=O)c1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000001036805 206344069 /nfs/dbraw/zinc/34/40/69/206344069.db2.gz HYOKDSCVJXQYSE-KRWDZBQOSA-N 0 0 394.383 3.135 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1c(F)cccc1Cl ZINC000003332323 206471544 /nfs/dbraw/zinc/47/15/44/206471544.db2.gz HWGICMFVZBVQLM-UHFFFAOYSA-N 0 0 396.758 3.120 10 5 GGBERN O=C(NCCc1ccccc1)c1cccn2c(=O)c3cc(Cl)ccc3nc12 ZINC000002957345 206448981 /nfs/dbraw/zinc/44/89/81/206448981.db2.gz SAQOFXTYOQDZMA-UHFFFAOYSA-N 0 0 377.831 3.474 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(C)c2c1COc1ccccc1-2 ZINC000002960742 206449590 /nfs/dbraw/zinc/44/95/90/206449590.db2.gz RPPRRPADEGXDJM-UHFFFAOYSA-N 0 0 380.360 3.149 10 5 GGBERN O=c1c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1cccc(F)c1 ZINC000004906126 206570057 /nfs/dbraw/zinc/57/00/57/206570057.db2.gz OSHKNFNETCCZOY-UHFFFAOYSA-N 0 0 391.358 3.248 10 5 GGBERN Cc1cccc(COn2cccc(C(=O)Nc3ccc(F)cc3[N+](=O)[O-])c2=O)c1 ZINC000005054874 206588354 /nfs/dbraw/zinc/58/83/54/206588354.db2.gz ONLJHGJVGVSOLF-UHFFFAOYSA-N 0 0 397.362 3.085 10 5 GGBERN Cc1cc(=O)oc2cc(OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)ccc12 ZINC000005749475 206628341 /nfs/dbraw/zinc/62/83/41/206628341.db2.gz QDHJUSIPQUYFMM-UHFFFAOYSA-N 0 0 384.300 3.445 10 5 GGBERN O=C(OCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1NCCO ZINC000005851753 206631504 /nfs/dbraw/zinc/63/15/04/206631504.db2.gz GPJHDLCLXUEQBM-UHFFFAOYSA-N 0 0 399.428 3.480 10 5 GGBERN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000006611404 206658146 /nfs/dbraw/zinc/65/81/46/206658146.db2.gz XCLQLHCZRPEYJI-HUUCEWRRSA-N 0 0 391.468 3.102 10 5 GGBERN Cc1cccc(C(=O)NCCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000008980782 206769388 /nfs/dbraw/zinc/76/93/88/206769388.db2.gz PRWAADCHMDUXPI-UHFFFAOYSA-N 0 0 389.839 3.335 10 5 GGBERN COCCNc1ccc(C(=O)N(C)Cc2cc(C)ccc2OC)cc1[N+](=O)[O-] ZINC000009918815 206805053 /nfs/dbraw/zinc/80/50/53/206805053.db2.gz UGVDOBZBZQHFLX-UHFFFAOYSA-N 0 0 387.436 3.242 10 5 GGBERN O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000010537754 206814294 /nfs/dbraw/zinc/81/42/94/206814294.db2.gz PFFGQRZORHQDEJ-JYRVWZFOSA-N 0 0 389.414 3.331 10 5 GGBERN C[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N(C)C ZINC000010537907 206813773 /nfs/dbraw/zinc/81/37/73/206813773.db2.gz MVZVDWOLXFUMJM-ZDUSSCGKSA-N 0 0 397.460 3.411 10 5 GGBERN O=c1cc(COc2ccc3[nH]c4ccccc4c(=O)c3c2)nc2sccn21 ZINC000012521513 206907761 /nfs/dbraw/zinc/90/77/61/206907761.db2.gz OMIVHEVQTFNZAE-UHFFFAOYSA-N 0 0 375.409 3.330 10 5 GGBERN O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1cccc([N+](=O)[O-])c1 ZINC000012791404 206938629 /nfs/dbraw/zinc/93/86/29/206938629.db2.gz QZJMCTRONJFSTE-UHFFFAOYSA-N 0 0 398.444 3.343 10 5 GGBERN Cc1ccc([C@@](O)(CCNC(=O)Nc2ccccc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000012740487 206929986 /nfs/dbraw/zinc/92/99/86/206929986.db2.gz WCDCSIYCSROQKZ-HNNXBMFYSA-N 0 0 387.314 3.458 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000012742843 206930001 /nfs/dbraw/zinc/93/00/01/206930001.db2.gz YTTFXTWXPLZSSB-NSHDSACASA-N 0 0 382.376 3.046 10 5 GGBERN C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000012938301 206956175 /nfs/dbraw/zinc/95/61/75/206956175.db2.gz YAVBWLATGWCLHG-SNVBAGLBSA-N 0 0 393.852 3.317 10 5 GGBERN CNC(=O)c1ccc(N2CCC[C@@H]2c2cc(OC)ccc2OC)c([N+](=O)[O-])c1 ZINC000053552631 209110972 /nfs/dbraw/zinc/11/09/72/209110972.db2.gz ZBWHWEXSIGHXIJ-MRXNPFEDSA-N 0 0 385.420 3.313 10 5 GGBERN CC(=O)c1ccccc1OCCOc1cc(N2CCCC2=O)ccc1[N+](=O)[O-] ZINC000014076868 207009155 /nfs/dbraw/zinc/00/91/55/207009155.db2.gz WYQVAVSLHUNDGZ-UHFFFAOYSA-N 0 0 384.388 3.382 10 5 GGBERN Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000014093927 207009754 /nfs/dbraw/zinc/00/97/54/207009754.db2.gz JVFUAKZWNVWHAS-MRXNPFEDSA-N 0 0 383.429 3.490 10 5 GGBERN C[C@@H](Sc1nc2c3ccccc3ncn2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014162620 207012737 /nfs/dbraw/zinc/01/27/37/207012737.db2.gz CSPDOPAKXVJDBX-LLVKDONJSA-N 0 0 394.416 3.305 10 5 GGBERN C[C@H](OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000015816666 207062480 /nfs/dbraw/zinc/06/24/80/207062480.db2.gz MHTPAHBOTHMOCV-KGLIPLIRSA-N 0 0 391.468 3.291 10 5 GGBERN O=c1cc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sccn21 ZINC000015833179 207063326 /nfs/dbraw/zinc/06/33/26/207063326.db2.gz SVCLLAKOZWHHAC-UHFFFAOYSA-N 0 0 387.402 3.007 10 5 GGBERN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000015868243 207065890 /nfs/dbraw/zinc/06/58/90/207065890.db2.gz LUQAKLOBMXJEFF-AWEZNQCLSA-N 0 0 388.387 3.439 10 5 GGBERN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000015868242 207066925 /nfs/dbraw/zinc/06/69/25/207066925.db2.gz LUEZFFTWEBLIGS-CQSZACIVSA-N 0 0 388.387 3.439 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000016695033 207076812 /nfs/dbraw/zinc/07/68/12/207076812.db2.gz OICYYRJLNSLGTB-OAHLLOKOSA-N 0 0 380.448 3.428 10 5 GGBERN C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000017842588 207090519 /nfs/dbraw/zinc/09/05/19/207090519.db2.gz JQLUAZFNQHIPAR-LLVKDONJSA-N 0 0 375.406 3.222 10 5 GGBERN Cc1cc(=O)c(C(=O)N[C@H](C)c2cccs2)nn1-c1ccccc1[N+](=O)[O-] ZINC000017842380 207091657 /nfs/dbraw/zinc/09/16/57/207091657.db2.gz MGJLLTJJKRVUNK-GFCCVEGCSA-N 0 0 384.417 3.002 10 5 GGBERN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000018039753 207092371 /nfs/dbraw/zinc/09/23/71/207092371.db2.gz VKUHUETVJPQAOW-UHFFFAOYSA-N 0 0 397.218 3.195 10 5 GGBERN C[C@H]1CCCN([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000017245372 207088511 /nfs/dbraw/zinc/08/85/11/207088511.db2.gz HIPHZGNFRQKINA-ORAYPTAESA-N 0 0 389.452 3.155 10 5 GGBERN COc1ccccc1N1CCN(C(=O)CSc2ccsc2[N+](=O)[O-])CC1 ZINC000020355530 207187998 /nfs/dbraw/zinc/18/79/98/207187998.db2.gz MOGKXFQYEWSWSL-UHFFFAOYSA-N 0 0 393.490 3.106 10 5 GGBERN O=C(CSc1ccsc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1 ZINC000020355528 207189038 /nfs/dbraw/zinc/18/90/38/207189038.db2.gz WHCJLBKDIBDNEC-UHFFFAOYSA-N 0 0 377.491 3.093 10 5 GGBERN Cc1cccc(C)c1NC(=O)C(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020418087 207191252 /nfs/dbraw/zinc/19/12/52/207191252.db2.gz DICPMLASENUURV-UHFFFAOYSA-N 0 0 398.488 3.300 10 5 GGBERN O=[N+]([O-])c1cccc(-c2nnn(CN3CCC(Cc4ccccc4)CC3)n2)c1 ZINC000020446762 207192990 /nfs/dbraw/zinc/19/29/90/207192990.db2.gz YHWKJSSUNURHNY-UHFFFAOYSA-N 0 0 378.436 3.161 10 5 GGBERN Cn1c2cn(C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000020443112 207193317 /nfs/dbraw/zinc/19/33/17/207193317.db2.gz IQVLVSIOPFKBKV-UHFFFAOYSA-N 0 0 382.420 3.119 10 5 GGBERN CCN1CCN(C(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)CC1 ZINC000020643548 207208647 /nfs/dbraw/zinc/20/86/47/207208647.db2.gz MILHBHFLQLMMRP-UHFFFAOYSA-N 0 0 391.500 3.102 10 5 GGBERN Cc1ccc2onc(CNC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000020516826 207200879 /nfs/dbraw/zinc/20/08/79/207200879.db2.gz JEFOXRQJRANPCJ-UHFFFAOYSA-N 0 0 395.419 3.076 10 5 GGBERN CCOC(=O)C1C(C)=Nc2nc(SCC)nn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020849798 207214424 /nfs/dbraw/zinc/21/44/24/207214424.db2.gz AZGALPYCJABOTD-AWEZNQCLSA-N 0 0 389.437 3.150 10 5 GGBERN CCOC(=O)C1C(C)=Nc2nc(SCC)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020849824 207215667 /nfs/dbraw/zinc/21/56/67/207215667.db2.gz HWEXESRHSUVRBH-CQSZACIVSA-N 0 0 389.437 3.150 10 5 GGBERN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020946023 207221363 /nfs/dbraw/zinc/22/13/63/207221363.db2.gz NIKULBQRXLUZHX-INIZCTEOSA-N 0 0 390.739 3.396 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccco1 ZINC000021105174 207225544 /nfs/dbraw/zinc/22/55/44/207225544.db2.gz MCLAMAHPPDZIMV-GOSISDBHSA-N 0 0 380.360 3.358 10 5 GGBERN COc1ccc(C2=NN(C(C)=O)[C@](C)(c3ccc(C)c([N+](=O)[O-])c3)O2)cc1OC ZINC000021090613 207225762 /nfs/dbraw/zinc/22/57/62/207225762.db2.gz BTZUHUDTZGSKMB-FQEVSTJZSA-N 0 0 399.403 3.334 10 5 GGBERN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000021090683 207226069 /nfs/dbraw/zinc/22/60/69/207226069.db2.gz IIGQNTJRRKYRPZ-QGZVFWFLSA-N 0 0 389.751 3.216 10 5 GGBERN CC[C@]1(c2ccc(OC(C)=O)cc2)OC(c2ccc([N+](=O)[O-])cc2)=NN1C(C)=O ZINC000021091377 207226290 /nfs/dbraw/zinc/22/62/90/207226290.db2.gz PJKYEGHMCXFZNK-HXUWFJFHSA-N 0 0 397.387 3.323 10 5 GGBERN COc1ccc(C2=NN(C(C)=O)[C@@](C)(c3ccc(C)c([N+](=O)[O-])c3)O2)cc1OC ZINC000021090608 207226381 /nfs/dbraw/zinc/22/63/81/207226381.db2.gz BTZUHUDTZGSKMB-HXUWFJFHSA-N 0 0 399.403 3.334 10 5 GGBERN CCCCOc1ccc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000021866490 207239541 /nfs/dbraw/zinc/23/95/41/207239541.db2.gz GZAQLQJPOPZNQH-KRWDZBQOSA-N 0 0 388.420 3.246 10 5 GGBERN C[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1cccs1 ZINC000038039727 207261107 /nfs/dbraw/zinc/26/11/07/207261107.db2.gz XFJVEEMOINJWPO-QMMMGPOBSA-N 0 0 391.268 3.458 10 5 GGBERN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039556 207262513 /nfs/dbraw/zinc/26/25/13/207262513.db2.gz MLNNADFAFJYXGF-UWVGGRQHSA-N 0 0 377.260 3.309 10 5 GGBERN O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000022995269 207267600 /nfs/dbraw/zinc/26/76/00/207267600.db2.gz YNWHEYGRNFOYFB-UHFFFAOYSA-N 0 0 384.417 3.293 10 5 GGBERN O=[N+]([O-])c1cccc(OC[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000025043611 207298529 /nfs/dbraw/zinc/29/85/29/207298529.db2.gz MELOXRGIVYJNJB-GFCCVEGCSA-N 0 0 381.310 3.403 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000025830104 207307352 /nfs/dbraw/zinc/30/73/52/207307352.db2.gz NHUOLYQSXDMMNP-CYBMUJFWSA-N 0 0 381.388 3.081 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000025907827 207307782 /nfs/dbraw/zinc/30/77/82/207307782.db2.gz IUKNJUYXSYCMAB-QWRGUYRKSA-N 0 0 375.347 3.253 10 5 GGBERN COCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000025321062 207302570 /nfs/dbraw/zinc/30/25/70/207302570.db2.gz GPYQFVDBJWEANZ-UHFFFAOYSA-N 0 0 391.399 3.073 10 5 GGBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000025514816 207304884 /nfs/dbraw/zinc/30/48/84/207304884.db2.gz USPWFJXZYJSGPH-BEFAXECRSA-N 0 0 384.436 3.178 10 5 GGBERN COc1ccccc1-c1cc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)on1 ZINC000026232318 207311548 /nfs/dbraw/zinc/31/15/48/207311548.db2.gz AHQACQVKAVVGMK-UHFFFAOYSA-N 0 0 379.328 3.055 10 5 GGBERN Cc1ccc2c(c1)C(=O)N(CCC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)C2=O ZINC000027917777 207331861 /nfs/dbraw/zinc/33/18/61/207331861.db2.gz YOIRAKZIXGYBTR-CYBMUJFWSA-N 0 0 382.372 3.194 10 5 GGBERN CC(C)c1ccc(C(=O)N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)cc1 ZINC000029525841 207364092 /nfs/dbraw/zinc/36/40/92/207364092.db2.gz HGLQAIIEJHIMGU-UHFFFAOYSA-N 0 0 393.447 3.328 10 5 GGBERN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H]1COc2ccccc2O1 ZINC000031173468 207379500 /nfs/dbraw/zinc/37/95/00/207379500.db2.gz FHLDKZJTINAYHC-OAHLLOKOSA-N 0 0 385.420 3.004 10 5 GGBERN Cn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1C(F)(F)F ZINC000031843210 207386363 /nfs/dbraw/zinc/38/63/63/207386363.db2.gz NCEZKMUIIFRUPL-UHFFFAOYSA-N 0 0 386.315 3.084 10 5 GGBERN Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2=O)cc1Cl ZINC000037522095 207545216 /nfs/dbraw/zinc/54/52/16/207545216.db2.gz TYTDGFZLUMMPKU-CYBMUJFWSA-N 0 0 387.823 3.434 10 5 GGBERN COCCOc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000048373890 207699698 /nfs/dbraw/zinc/69/96/98/207699698.db2.gz XIDHQRZHFKZTKX-AWEZNQCLSA-N 0 0 388.420 3.428 10 5 GGBERN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000064819672 207812572 /nfs/dbraw/zinc/81/25/72/207812572.db2.gz JCJJDJMAKQRUEE-MRXNPFEDSA-N 0 0 390.739 3.396 10 5 GGBERN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC000078876386 208065320 /nfs/dbraw/zinc/06/53/20/208065320.db2.gz JJAGUSUGILIBSB-JTQLQIEISA-N 0 0 385.239 3.397 10 5 GGBERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095075453 208152005 /nfs/dbraw/zinc/15/20/05/208152005.db2.gz RMXHONAMYOVEDY-GFCCVEGCSA-N 0 0 376.413 3.429 10 5 GGBERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095075309 208152419 /nfs/dbraw/zinc/15/24/19/208152419.db2.gz SETHMDDLYHHAKQ-CQSZACIVSA-N 0 0 387.440 3.374 10 5 GGBERN CC(C)(C)OC(=O)N1CC[C@@H](C[S@](=O)c2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095084388 208153639 /nfs/dbraw/zinc/15/36/39/208153639.db2.gz XZRCGLJVYPVMNE-DQQVXTMASA-N 0 0 395.437 3.101 10 5 GGBERN CC(C)(C)OC(=O)NCC1CCN(c2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000095087867 208155986 /nfs/dbraw/zinc/15/59/86/208155986.db2.gz ZCXNIJKQRQOHJL-UHFFFAOYSA-N 0 0 376.413 3.477 10 5 GGBERN COC(=O)C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000095462543 208189468 /nfs/dbraw/zinc/18/94/68/208189468.db2.gz ORWIUGFTGOXFFO-MRXNPFEDSA-N 0 0 382.376 3.039 10 5 GGBERN NC(=O)c1cccc([N+](=O)[O-])c1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000096006581 208251689 /nfs/dbraw/zinc/25/16/89/208251689.db2.gz QFNLSTCJLAKPOK-UHFFFAOYSA-N 0 0 384.175 3.018 10 5 GGBERN Nc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000096012016 208254256 /nfs/dbraw/zinc/25/42/56/208254256.db2.gz XQSQQLAGPSHVAX-UHFFFAOYSA-N 0 0 388.383 3.284 10 5 GGBERN COc1ccc(Nc2ccc(N3C(=O)C[C@@H](C)C3=O)cc2[N+](=O)[O-])cc1OC ZINC000101683487 208395680 /nfs/dbraw/zinc/39/56/80/208395680.db2.gz PLLOCUDSWFLFCO-LLVKDONJSA-N 0 0 385.376 3.255 10 5 GGBERN Cc1ccc(C2=N/C(=C/c3ccc(N4CCOCC4)s3)C(=O)O2)cc1[N+](=O)[O-] ZINC000096019642 209008068 /nfs/dbraw/zinc/00/80/68/209008068.db2.gz CJDRZIVZFNYHGD-RVDMUPIBSA-N 0 0 399.428 3.146 10 5 GGBERN Cc1ccc(C)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000006052543 220915367 /nfs/dbraw/zinc/91/53/67/220915367.db2.gz JENZKXKIIAIRAE-GOSISDBHSA-N 0 0 380.404 3.478 10 5 GGBERN CCN(CC)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1 ZINC000096568932 209016072 /nfs/dbraw/zinc/01/60/72/209016072.db2.gz RCRPMRUFRJQOCY-XMHGGMMESA-N 0 0 397.431 3.243 10 5 GGBERN CNS(=O)(=O)c1ccc(N2C[C@@H](C)CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000253417654 209041587 /nfs/dbraw/zinc/04/15/87/209041587.db2.gz DDRQXDDAECXLIS-YOEHRIQHSA-N 0 0 389.477 3.481 10 5 GGBERN CCCNC(=O)CN(C)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000008748128 221055021 /nfs/dbraw/zinc/05/50/21/221055021.db2.gz JZWOCDHJESGIJV-UHFFFAOYSA-N 0 0 379.800 3.106 10 5 GGBERN CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000009155393 221071092 /nfs/dbraw/zinc/07/10/92/221071092.db2.gz WBKTXXNSBQZSNX-SNVBAGLBSA-N 0 0 395.462 3.276 10 5 GGBERN CCOC(=O)Cc1csc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000009155392 221071807 /nfs/dbraw/zinc/07/18/07/221071807.db2.gz WBKTXXNSBQZSNX-JTQLQIEISA-N 0 0 395.462 3.276 10 5 GGBERN COc1ccc(OCCNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000012554426 221205976 /nfs/dbraw/zinc/20/59/76/221205976.db2.gz HLFCVAADCFPYLY-UHFFFAOYSA-N 0 0 399.447 3.403 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000040083040 132394374 /nfs/dbraw/zinc/39/43/74/132394374.db2.gz XSHAWZTYALFXQM-LLVKDONJSA-N 0 0 383.433 3.082 10 5 GGBERN CCc1cc(N2CCCC[C@@H]2c2nc[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095467650 136179385 /nfs/dbraw/zinc/17/93/85/136179385.db2.gz QLHBKSHOKGQMHS-MRXNPFEDSA-N 0 0 379.424 3.464 10 5 GGBERN CCc1cc(N2CCCC[C@H]2c2nc[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095467651 136179407 /nfs/dbraw/zinc/17/94/07/136179407.db2.gz QLHBKSHOKGQMHS-INIZCTEOSA-N 0 0 379.424 3.464 10 5 GGBERN CCOC(=O)CC[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000095974220 136182892 /nfs/dbraw/zinc/18/28/92/136182892.db2.gz CAFXFRDTVNMOJB-NSHDSACASA-N 0 0 386.246 3.455 10 5 GGBERN CCOC(=O)CC[C@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000095974221 136182910 /nfs/dbraw/zinc/18/29/10/136182910.db2.gz CAFXFRDTVNMOJB-LLVKDONJSA-N 0 0 386.246 3.455 10 5 GGBERN CC(=O)N1CCN(c2nc(C(C)C)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096316925 136186382 /nfs/dbraw/zinc/18/63/82/136186382.db2.gz BRPAYQZVJHAJCT-UHFFFAOYSA-N 0 0 397.479 3.076 10 5 GGBERN O=C(OCc1ccccc1)N1CCC(N2C(=O)Cc3cc([N+](=O)[O-])ccc32)CC1 ZINC000095835869 222360468 /nfs/dbraw/zinc/36/04/68/222360468.db2.gz JVMFFQWUFDRGEE-UHFFFAOYSA-N 0 0 395.415 3.285 10 5 GGBERN CC(C)NS(=O)(=O)c1ccc(N2CC[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000241942316 519733347 /nfs/dbraw/zinc/73/33/47/519733347.db2.gz ULOAPUMIOAMKFR-CABCVRRESA-N 0 0 381.498 3.298 10 5 GGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)cc1C ZINC000114741665 564181170 /nfs/dbraw/zinc/18/11/70/564181170.db2.gz NWBVJXHWRSDFPZ-CYBMUJFWSA-N 0 0 381.479 3.236 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(I)cn1 ZINC000115630779 564197280 /nfs/dbraw/zinc/19/72/80/564197280.db2.gz DBTNMYRXDREXMV-UHFFFAOYSA-N 0 0 383.145 3.155 10 5 GGBERN O=c1[nH]nc(Sc2ncc(Br)cc2[N+](=O)[O-])n1-c1ccccc1 ZINC000004366146 564203242 /nfs/dbraw/zinc/20/32/42/564203242.db2.gz OFMMXRQTNOWFHU-UHFFFAOYSA-N 0 0 394.210 3.190 10 5 GGBERN Cc1ccc([C@@H]2CSCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000116375714 564208740 /nfs/dbraw/zinc/20/87/40/564208740.db2.gz RUGHSMFNKCQOBG-ZDUSSCGKSA-N 0 0 384.504 3.444 10 5 GGBERN O=C(CNc1ccc(I)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006923132 564230344 /nfs/dbraw/zinc/23/03/44/564230344.db2.gz JBFLRFWVGNGBRH-UHFFFAOYSA-N 0 0 397.172 3.250 10 5 GGBERN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1F ZINC000007202781 564233463 /nfs/dbraw/zinc/23/34/63/564233463.db2.gz KUHFHDMBZRPTPY-MRVPVSSYSA-N 0 0 384.161 3.297 10 5 GGBERN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000008312747 564248200 /nfs/dbraw/zinc/24/82/00/564248200.db2.gz AYUMGNFBBLPGOZ-UHFFFAOYSA-N 0 0 383.813 3.029 10 5 GGBERN Nc1ccc(C(=O)NCCSc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000008728374 564250876 /nfs/dbraw/zinc/25/08/76/564250876.db2.gz MEXDXKDOBRBBEJ-UHFFFAOYSA-N 0 0 396.266 3.462 10 5 GGBERN C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)Nc1ncccn1 ZINC000119104900 564255018 /nfs/dbraw/zinc/25/50/18/564255018.db2.gz GNNRXVROUPNUQM-QMMMGPOBSA-N 0 0 383.227 3.267 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(N2CCCC2)c1 ZINC000119134042 564256171 /nfs/dbraw/zinc/25/61/71/564256171.db2.gz ZNJKKUGLFHWVBG-LBPRGKRZSA-N 0 0 381.479 3.296 10 5 GGBERN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(F)cc1F ZINC000012776698 564270268 /nfs/dbraw/zinc/27/02/68/564270268.db2.gz OBATZHKXOPTIID-UHFFFAOYSA-N 0 0 393.711 3.235 10 5 GGBERN O=[N+]([O-])c1ccc2cnn(C[C@@H](O)COc3cccc(Br)c3)c2c1 ZINC000012751462 564270769 /nfs/dbraw/zinc/27/07/69/564270769.db2.gz CQGDBSZMJLGCSU-CQSZACIVSA-N 0 0 392.209 3.147 10 5 GGBERN CC(C)C(=O)N1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000119607142 564279361 /nfs/dbraw/zinc/27/93/61/564279361.db2.gz FUDQMGCLUXESRG-UHFFFAOYSA-N 0 0 398.257 3.190 10 5 GGBERN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Br ZINC000119679827 564283119 /nfs/dbraw/zinc/28/31/19/564283119.db2.gz ZTOHFPURGINWSX-SNVBAGLBSA-N 0 0 378.226 3.307 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000119765756 564287121 /nfs/dbraw/zinc/28/71/21/564287121.db2.gz NFIFMZXPYJKGCT-UHFFFAOYSA-N 0 0 390.193 3.265 10 5 GGBERN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000016108620 564292442 /nfs/dbraw/zinc/29/24/42/564292442.db2.gz KEXJYLFXKUDBNC-JTQLQIEISA-N 0 0 382.825 3.143 10 5 GGBERN CN(C(=O)Cc1ccccc1I)c1ccc([N+](=O)[O-])cc1 ZINC000119907171 564293537 /nfs/dbraw/zinc/29/35/37/564293537.db2.gz FUMUKDGTZCQCGU-UHFFFAOYSA-N 0 0 396.184 3.405 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(Cc2cccc(Br)c2OC(F)F)c1=O ZINC000120272877 564313058 /nfs/dbraw/zinc/31/30/58/564313058.db2.gz ZSFLEIQYHQKIJZ-UHFFFAOYSA-N 0 0 389.152 3.477 10 5 GGBERN Cn1cc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000121200363 564359086 /nfs/dbraw/zinc/35/90/86/564359086.db2.gz RQTARWFNDGQREO-CQSZACIVSA-N 0 0 379.214 3.068 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000028048044 564359778 /nfs/dbraw/zinc/35/97/78/564359778.db2.gz VDDOHOKAYOFKSA-SNVBAGLBSA-N 0 0 385.239 3.397 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000028048047 564359799 /nfs/dbraw/zinc/35/97/99/564359799.db2.gz VDDOHOKAYOFKSA-JTQLQIEISA-N 0 0 385.239 3.397 10 5 GGBERN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)c([N+](=O)[O-])c1 ZINC000028196332 564360657 /nfs/dbraw/zinc/36/06/57/564360657.db2.gz RQPZCXYNIMDMIN-UHFFFAOYSA-N 0 0 384.797 3.144 10 5 GGBERN O=[N+]([O-])c1ccc(N2CCN(c3ccc(Br)cn3)CC2)c(F)c1 ZINC000029624814 564371609 /nfs/dbraw/zinc/37/16/09/564371609.db2.gz HPDNVOAXLOPLOL-UHFFFAOYSA-N 0 0 381.205 3.218 10 5 GGBERN O=[N+]([O-])c1ccc(CN2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000030203715 564377126 /nfs/dbraw/zinc/37/71/26/564377126.db2.gz WBTRNVOQCMAOFT-UHFFFAOYSA-N 0 0 377.242 3.075 10 5 GGBERN CC(C)CC[C@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000121624959 564378634 /nfs/dbraw/zinc/37/86/34/564378634.db2.gz RWSNIFFMOKLHLJ-INIZCTEOSA-N 0 0 387.274 3.203 10 5 GGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc(Br)c3)C2)nc1 ZINC000122262655 564406976 /nfs/dbraw/zinc/40/69/76/564406976.db2.gz IJLZUKDFQUWUNI-CQSZACIVSA-N 0 0 377.242 3.439 10 5 GGBERN CC[C@H](CO)Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1Br ZINC000032919267 564407779 /nfs/dbraw/zinc/40/77/79/564407779.db2.gz XUCGXQYFZNPMCO-SECBINFHSA-N 0 0 382.218 3.074 10 5 GGBERN Cc1sc(C(=O)NCc2cccnc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000033108952 564410690 /nfs/dbraw/zinc/41/06/90/564410690.db2.gz YSNFMWWIXKDTSA-UHFFFAOYSA-N 0 0 375.328 3.231 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H]2CCCC[C@@H]21 ZINC000122443548 564413875 /nfs/dbraw/zinc/41/38/75/564413875.db2.gz WXLNQLBXNPXLLM-GJZGRUSLSA-N 0 0 383.242 3.070 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000122544158 564418018 /nfs/dbraw/zinc/41/80/18/564418018.db2.gz BVIBNAZVLQXDLT-UHFFFAOYSA-N 0 0 382.825 3.224 10 5 GGBERN CSCCCCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000123100740 564438570 /nfs/dbraw/zinc/43/85/70/564438570.db2.gz CFXJKYLJQGGPRU-UHFFFAOYSA-N 0 0 387.527 3.325 10 5 GGBERN Cc1sc(S(=O)(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000123316949 564445231 /nfs/dbraw/zinc/44/52/31/564445231.db2.gz HOAKWGQSBUCUFM-ABAIWWIYSA-N 0 0 382.463 3.115 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(Cn2cccn2)CC1 ZINC000123528557 564451457 /nfs/dbraw/zinc/45/14/57/564451457.db2.gz KAMBOPRSOAVJJX-UHFFFAOYSA-N 0 0 393.241 3.106 10 5 GGBERN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000123618250 564455163 /nfs/dbraw/zinc/45/51/63/564455163.db2.gz GGEHUXNBEYPUJU-JTQLQIEISA-N 0 0 392.209 3.173 10 5 GGBERN Cc1ccc(OCCN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000044770821 564472639 /nfs/dbraw/zinc/47/26/39/564472639.db2.gz YXIGNVXSAJDEIK-UHFFFAOYSA-N 0 0 384.841 3.256 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000124181817 564473798 /nfs/dbraw/zinc/47/37/98/564473798.db2.gz WQXWPSIONXPAKS-LLVKDONJSA-N 0 0 393.241 3.029 10 5 GGBERN C[C@@H](Cc1ccc(O)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000124270825 564476728 /nfs/dbraw/zinc/47/67/28/564476728.db2.gz GWPBNYMGJHSJSG-NSHDSACASA-N 0 0 384.841 3.206 10 5 GGBERN C[C@H](Cc1ccc(O)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000124271055 564476790 /nfs/dbraw/zinc/47/67/90/564476790.db2.gz GWPBNYMGJHSJSG-LLVKDONJSA-N 0 0 384.841 3.206 10 5 GGBERN C[C@@H](Cc1ccc(O)cc1)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000124316299 564478640 /nfs/dbraw/zinc/47/86/40/564478640.db2.gz KUYYGYHYPRDXML-NSHDSACASA-N 0 0 384.841 3.206 10 5 GGBERN CC(=O)Nc1cccc(-n2cnnc2SCc2csc([N+](=O)[O-])c2)c1 ZINC000047172312 564514327 /nfs/dbraw/zinc/51/43/27/564514327.db2.gz FRUQKCOKHHQSON-UHFFFAOYSA-N 0 0 375.435 3.488 10 5 GGBERN O=[N+]([O-])c1cc(CN2CCN(c3ccc(Br)cn3)CC2)cs1 ZINC000047266138 564516440 /nfs/dbraw/zinc/51/64/40/564516440.db2.gz APGCVBGRGNOJJI-UHFFFAOYSA-N 0 0 383.271 3.136 10 5 GGBERN CO[C@@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000125635168 564521043 /nfs/dbraw/zinc/52/10/43/564521043.db2.gz GASDDIRGLZOFNX-HNNXBMFYSA-N 0 0 384.841 3.451 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccn(C2CCCC2)n1 ZINC000125648609 564521432 /nfs/dbraw/zinc/52/14/32/564521432.db2.gz UGAFHMDLRSNUNC-UHFFFAOYSA-N 0 0 384.845 3.038 10 5 GGBERN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000047543416 564522933 /nfs/dbraw/zinc/52/29/33/564522933.db2.gz WLZGUWSLHOFDJC-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccn(C3CCCC3)n2)c(Cl)c1 ZINC000125722218 564524596 /nfs/dbraw/zinc/52/45/96/564524596.db2.gz AKGBBWJCVVWSPL-UHFFFAOYSA-N 0 0 384.845 3.038 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000125753629 564525652 /nfs/dbraw/zinc/52/56/52/564525652.db2.gz OSBYWVKZAXDSPM-UHFFFAOYSA-N 0 0 376.210 3.480 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000047983056 564530037 /nfs/dbraw/zinc/53/00/37/564530037.db2.gz DUFNPVLMCGVCEF-MRXNPFEDSA-N 0 0 381.841 3.459 10 5 GGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@H](c2ccsc2)O1 ZINC000126185956 564539811 /nfs/dbraw/zinc/53/98/11/564539811.db2.gz MZCABIPTIGPFPE-XHDPSFHLSA-N 0 0 382.463 3.026 10 5 GGBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000051264982 564563146 /nfs/dbraw/zinc/56/31/46/564563146.db2.gz CJFTXOXBKNARBY-OAHLLOKOSA-N 0 0 380.187 3.345 10 5 GGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)cc1C ZINC000127506442 564585991 /nfs/dbraw/zinc/58/59/91/564585991.db2.gz ZCOPDUWMSBZOQX-HNNXBMFYSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000053412315 564587593 /nfs/dbraw/zinc/58/75/93/564587593.db2.gz ZIUHHHPWDADJSX-AWEZNQCLSA-N 0 0 392.209 3.314 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000127547506 564587678 /nfs/dbraw/zinc/58/76/78/564587678.db2.gz KECODYBCBMFNMC-CYBMUJFWSA-N 0 0 388.854 3.072 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000127547265 564588008 /nfs/dbraw/zinc/58/80/08/564588008.db2.gz KECODYBCBMFNMC-ZDUSSCGKSA-N 0 0 388.854 3.072 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)c(Cl)c1 ZINC000127569124 564588638 /nfs/dbraw/zinc/58/86/38/564588638.db2.gz GVRYYAJBBNEGAE-ZDUSSCGKSA-N 0 0 388.854 3.072 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000127570590 564588883 /nfs/dbraw/zinc/58/88/83/564588883.db2.gz AIOYIDXYPKMYDR-ZDUSSCGKSA-N 0 0 388.854 3.072 10 5 GGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000127582486 564588895 /nfs/dbraw/zinc/58/88/95/564588895.db2.gz NXMHZBFAHHEFPF-CYBMUJFWSA-N 0 0 388.854 3.072 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127693320 564592233 /nfs/dbraw/zinc/59/22/33/564592233.db2.gz UPUVRTJNKFXISE-MEDUHNTESA-N 0 0 383.242 3.125 10 5 GGBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000127728208 564593335 /nfs/dbraw/zinc/59/33/35/564593335.db2.gz VCGUABSVCYIVEI-PWSUYJOCSA-N 0 0 399.241 3.127 10 5 GGBERN CN(CC(=O)Nc1ccccc1Br)Cc1csc([N+](=O)[O-])c1 ZINC000054152926 564600398 /nfs/dbraw/zinc/60/03/98/564600398.db2.gz IOXDKIRBBQOTOS-UHFFFAOYSA-N 0 0 384.255 3.489 10 5 GGBERN CCOc1ccccc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056119672 564642227 /nfs/dbraw/zinc/64/22/27/564642227.db2.gz NTCITYITERINHI-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/67/00/71/564670071.db2.gz YCHSNNXYILHIDV-UHFFFAOYSA-N 0 0 387.211 3.257 10 5 GGBERN COc1ccccc1C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000058507750 564685492 /nfs/dbraw/zinc/68/54/92/564685492.db2.gz KZAXFSAUAWCURU-CYBMUJFWSA-N 0 0 382.463 3.061 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)c2cccc(Br)c2)c1 ZINC000060805946 564702122 /nfs/dbraw/zinc/70/21/22/564702122.db2.gz HTWXDNPGTYAAFA-UHFFFAOYSA-N 0 0 394.177 3.406 10 5 GGBERN CCN(CCc1nccs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000131824385 564724829 /nfs/dbraw/zinc/72/48/29/564724829.db2.gz FENUANIMEXRVHV-UHFFFAOYSA-N 0 0 398.282 3.448 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)s1 ZINC000064244802 564727538 /nfs/dbraw/zinc/72/75/38/564727538.db2.gz OIJQQPBKEIEEIG-UHFFFAOYSA-N 0 0 382.463 3.026 10 5 GGBERN O=C(NC1CC1)c1ccc(NCCc2ccc(Br)o2)c([N+](=O)[O-])c1 ZINC000132133570 564734365 /nfs/dbraw/zinc/73/43/65/564734365.db2.gz OXCSILWBDSRPQK-UHFFFAOYSA-N 0 0 394.225 3.497 10 5 GGBERN CS(=O)(=O)c1ccc(NCCc2ccc(Br)o2)c([N+](=O)[O-])c1 ZINC000132125398 564734538 /nfs/dbraw/zinc/73/45/38/564734538.db2.gz HSLZOZDPDBDOAV-UHFFFAOYSA-N 0 0 389.227 3.008 10 5 GGBERN COc1ccc(-c2cnc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)cc1 ZINC000065279921 564741493 /nfs/dbraw/zinc/74/14/93/564741493.db2.gz DZBNCFNGXDIGRS-UHFFFAOYSA-N 0 0 379.170 3.266 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Cc3cccc(F)c3)CC2)s1 ZINC000066000909 564754103 /nfs/dbraw/zinc/75/41/03/564754103.db2.gz MYYGGUIZMUOGHO-UHFFFAOYSA-N 0 0 384.454 3.439 10 5 GGBERN CN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000644 564754156 /nfs/dbraw/zinc/75/41/56/564754156.db2.gz IAPJQKAXQJRXMO-UHFFFAOYSA-N 0 0 397.297 3.301 10 5 GGBERN Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000133114628 564763586 /nfs/dbraw/zinc/76/35/86/564763586.db2.gz XPZLXINRYJNJTA-NXEZZACHSA-N 0 0 384.351 3.442 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000133230892 564766787 /nfs/dbraw/zinc/76/67/87/564766787.db2.gz BMDURZRUSSJQRJ-ZDUSSCGKSA-N 0 0 393.241 3.167 10 5 GGBERN CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1CC(F)F ZINC000133305516 564769259 /nfs/dbraw/zinc/76/92/59/564769259.db2.gz XWLYGNVGDMJHJX-JTQLQIEISA-N 0 0 376.791 3.441 10 5 GGBERN Cc1ncsc1CN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000066580496 564770195 /nfs/dbraw/zinc/77/01/95/564770195.db2.gz VFUDDYWRZPOHAO-UHFFFAOYSA-N 0 0 375.859 3.142 10 5 GGBERN C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1c(Cl)ccc(F)c1Cl ZINC000133564208 564777372 /nfs/dbraw/zinc/77/73/72/564777372.db2.gz YLJPRVIFYKZACX-MRVPVSSYSA-N 0 0 390.202 3.298 10 5 GGBERN Cc1c(Br)cc(C(=O)NC[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000133658634 564781389 /nfs/dbraw/zinc/78/13/89/564781389.db2.gz CXDLZDAEPWIBLH-CQSZACIVSA-N 0 0 393.237 3.172 10 5 GGBERN COc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Br ZINC000133695645 564783213 /nfs/dbraw/zinc/78/32/13/564783213.db2.gz QLOMTFUNFVEKQS-UHFFFAOYSA-N 0 0 381.182 3.383 10 5 GGBERN COc1ccc(CC(=O)NCc2cc(F)cc(Br)c2)cc1[N+](=O)[O-] ZINC000067817881 564799387 /nfs/dbraw/zinc/79/93/87/564799387.db2.gz LBAUKSSUDLXEJC-UHFFFAOYSA-N 0 0 397.200 3.364 10 5 GGBERN COc1ccc(CSCC(=O)N[C@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000067860808 564800279 /nfs/dbraw/zinc/80/02/79/564800279.db2.gz VKUTVNHIAIGGLN-LLVKDONJSA-N 0 0 381.479 3.479 10 5 GGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000134580655 564808298 /nfs/dbraw/zinc/80/82/98/564808298.db2.gz LUQVCUTVAGNHEL-NHYWBVRUSA-N 0 0 385.258 3.418 10 5 GGBERN CC(C)(CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])NS(C)(=O)=O ZINC000068767677 564826180 /nfs/dbraw/zinc/82/61/80/564826180.db2.gz GJOHXUXMEXWJAU-UHFFFAOYSA-N 0 0 389.783 3.007 10 5 GGBERN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135714982 564839306 /nfs/dbraw/zinc/83/93/06/564839306.db2.gz YRMWQQCDFCESKS-CYBMUJFWSA-N 0 0 392.209 3.046 10 5 GGBERN COc1ccccc1C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000069649795 564843131 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Cc1nn(CCC(=O)NCc2cc(F)cc(Br)c2)c(C)c1[N+](=O)[O-] ZINC000102236691 564926817 /nfs/dbraw/zinc/92/68/17/564926817.db2.gz SQESFJRBWVLSMQ-UHFFFAOYSA-N 0 0 399.220 3.016 10 5 GGBERN COc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C(F)(F)F)c1 ZINC000102412206 564929286 /nfs/dbraw/zinc/92/92/86/564929286.db2.gz CHHYVASUQYWFFD-UHFFFAOYSA-N 0 0 396.368 3.162 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c1 ZINC000151757399 564936225 /nfs/dbraw/zinc/93/62/25/564936225.db2.gz MLTCHOLDDAGLQZ-HNNXBMFYSA-N 0 0 382.438 3.390 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cc(Br)cs2)c1 ZINC000151891661 564940160 /nfs/dbraw/zinc/94/01/60/564940160.db2.gz XWYUYRXKVFQARU-UHFFFAOYSA-N 0 0 391.268 3.038 10 5 GGBERN Cc1csc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000103160450 564943810 /nfs/dbraw/zinc/94/38/10/564943810.db2.gz YPEIRAAJXBWFJN-UHFFFAOYSA-N 0 0 385.442 3.067 10 5 GGBERN Cc1nc(CCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)sc1C ZINC000152197778 564949879 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O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc([N+](=O)[O-])cc1Br ZINC000155083951 565061406 /nfs/dbraw/zinc/06/14/06/565061406.db2.gz ADCPPJCCTHBQCU-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN Cn1cc([C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)cn1 ZINC000155113536 565062109 /nfs/dbraw/zinc/06/21/09/565062109.db2.gz MRPITNLBUUBQCN-JTQLQIEISA-N 0 0 394.229 3.112 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCc2nccs2)C(C)C)c1C ZINC000155592219 565069463 /nfs/dbraw/zinc/06/94/63/565069463.db2.gz MBGAVWWPMHZPRD-UHFFFAOYSA-N 0 0 383.495 3.310 10 5 GGBERN CC(C)N(CCc1nccs1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155585735 565069526 /nfs/dbraw/zinc/06/95/26/565069526.db2.gz BYAKNTYDMOILGJ-UHFFFAOYSA-N 0 0 389.886 3.347 10 5 GGBERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)n1 ZINC000113944616 565071614 /nfs/dbraw/zinc/07/16/14/565071614.db2.gz CNEYHCYOUDXIDP-JTQLQIEISA-N 0 0 387.508 3.244 10 5 GGBERN C[C@@H](C(=O)Nc1c[nH]cc(Br)c1=O)c1ccc([N+](=O)[O-])cc1F ZINC000183566858 565079693 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3.222 10 5 GGBERN CCOC1(C)CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000292310316 565110575 /nfs/dbraw/zinc/11/05/75/565110575.db2.gz NHMCNVKXPMZAGS-UHFFFAOYSA-N 0 0 376.862 3.136 10 5 GGBERN CCOC1(C)CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000292451699 565116221 /nfs/dbraw/zinc/11/62/21/565116221.db2.gz YBYHORBICXAMFZ-UHFFFAOYSA-N 0 0 376.862 3.136 10 5 GGBERN C[C@@]12CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@@H]1C2(F)F ZINC000292457946 565117958 /nfs/dbraw/zinc/11/79/58/565117958.db2.gz YPWZLRCMGPPYOO-NWDGAFQWSA-N 0 0 384.763 3.053 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)s1 ZINC000184239685 565121443 /nfs/dbraw/zinc/12/14/43/565121443.db2.gz BVUCAYCNTUJWFP-GFCCVEGCSA-N 0 0 388.854 3.072 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@@H](Cc2ccncc2)C1 ZINC000369992336 565122017 /nfs/dbraw/zinc/12/20/17/565122017.db2.gz BIFMFIMBPGAMAV-ZDUSSCGKSA-N 0 0 390.237 3.457 10 5 GGBERN O=C(CN1CCO[C@@H](c2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157504046 565135223 /nfs/dbraw/zinc/13/52/23/565135223.db2.gz IXMXFXJKDQULDP-CQSZACIVSA-N 0 0 381.841 3.322 10 5 GGBERN COc1ccc(OCCN[C@H](c2nccs2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000292888206 565139947 /nfs/dbraw/zinc/13/99/47/565139947.db2.gz FOZMGXVBNOHBHS-GFCCVEGCSA-N 0 0 377.344 3.332 10 5 GGBERN Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)s1 ZINC000184506556 565140745 /nfs/dbraw/zinc/14/07/45/565140745.db2.gz MNNCDCAIANMURO-JTQLQIEISA-N 0 0 387.458 3.497 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2CCc3n[nH]cc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000370636955 565152694 /nfs/dbraw/zinc/15/26/94/565152694.db2.gz VPPRAECNJYLUOK-LLVKDONJSA-N 0 0 394.229 3.068 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCCC1=CCOCC1 ZINC000158044345 565154312 /nfs/dbraw/zinc/15/43/12/565154312.db2.gz SPFQBDDQNNYQQK-UHFFFAOYSA-N 0 0 380.344 3.037 10 5 GGBERN Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000184726100 565154198 /nfs/dbraw/zinc/15/41/98/565154198.db2.gz XPBYHZQPOLMGAT-LLVKDONJSA-N 0 0 385.442 3.067 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000268880499 565170285 /nfs/dbraw/zinc/17/02/85/565170285.db2.gz JYBWSWCLLNSRJL-BDJLRTHQSA-N 0 0 383.242 3.125 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000268880501 565170800 /nfs/dbraw/zinc/17/08/00/565170800.db2.gz JYBWSWCLLNSRJL-BZNIZROVSA-N 0 0 383.242 3.125 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000268880503 565170907 /nfs/dbraw/zinc/17/09/07/565170907.db2.gz JYBWSWCLLNSRJL-MEDUHNTESA-N 0 0 383.242 3.125 10 5 GGBERN O=C(Nc1cccc2c1OCC[C@H]2O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000185333321 565196121 /nfs/dbraw/zinc/19/61/21/565196121.db2.gz IKDODMHESBKFTE-CQSZACIVSA-N 0 0 393.193 3.426 10 5 GGBERN C[C@@H]1CCOCCN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000371541884 565198676 /nfs/dbraw/zinc/19/86/76/565198676.db2.gz FZSJTPWRYGAOGY-SNVBAGLBSA-N 0 0 378.372 3.343 10 5 GGBERN C[C@@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2Br)CCC12CCOCC2 ZINC000371829747 565211502 /nfs/dbraw/zinc/21/15/02/565211502.db2.gz VXLYBCSVOPYIOH-NSHDSACASA-N 0 0 383.242 3.389 10 5 GGBERN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)c1nccs1 ZINC000185674074 565214890 /nfs/dbraw/zinc/21/48/90/565214890.db2.gz AUZZKMHZIYNXBB-NSHDSACASA-N 0 0 378.435 3.029 10 5 GGBERN COC[C@@H]1CCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000294511353 565215269 /nfs/dbraw/zinc/21/52/69/565215269.db2.gz YKSXBWCZPVVXLT-LBPRGKRZSA-N 0 0 379.463 3.372 10 5 GGBERN COCC[C@@H]1CCCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000372049738 565219934 /nfs/dbraw/zinc/21/99/34/565219934.db2.gz VPNOZXJRKCCLGI-LBPRGKRZSA-N 0 0 376.862 3.076 10 5 GGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN(Cc2cscn2)CC1 ZINC000294762100 565226786 /nfs/dbraw/zinc/22/67/86/565226786.db2.gz BGPSJKUJXFKYIO-UHFFFAOYSA-N 0 0 380.857 3.053 10 5 GGBERN C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000271139091 565240390 /nfs/dbraw/zinc/24/03/90/565240390.db2.gz BVOZKWFWCWKSKU-FZMZJTMJSA-N 0 0 382.463 3.026 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccccc3Cl)C2)s1 ZINC000160570627 565250433 /nfs/dbraw/zinc/25/04/33/565250433.db2.gz IRZFEDCWEGBEAU-JTQLQIEISA-N 0 0 388.854 3.152 10 5 GGBERN CC1(C)OCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000295364495 565262563 /nfs/dbraw/zinc/26/25/63/565262563.db2.gz CRYQYPJWRYXALJ-JTQLQIEISA-N 0 0 377.622 3.308 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H](Cc2ccncc2)C1 ZINC000372961920 565263290 /nfs/dbraw/zinc/26/32/90/565263290.db2.gz VAPQVVWSLAPYQR-ZDUSSCGKSA-N 0 0 390.237 3.457 10 5 GGBERN Cc1csc([C@@H](C)CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000186481583 565263423 /nfs/dbraw/zinc/26/34/23/565263423.db2.gz NPVBAUBIFPBAAL-QMMMGPOBSA-N 0 0 389.886 3.404 10 5 GGBERN Cc1nc(C(F)(F)F)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000373290695 565277571 /nfs/dbraw/zinc/27/75/71/565277571.db2.gz BOMWZBRVVIBNRA-UHFFFAOYSA-N 0 0 375.376 3.412 10 5 GGBERN COc1cc(C2SCCS2)ccc1OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272410127 565285938 /nfs/dbraw/zinc/28/59/38/565285938.db2.gz GMDYEJOIGZDOOF-UHFFFAOYSA-N 0 0 381.435 3.035 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000295796177 565286942 /nfs/dbraw/zinc/28/69/42/565286942.db2.gz SCJTYEXGUXHIOG-BXUZGUMPSA-N 0 0 379.214 3.480 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Br)cc3)CCCC2)n1 ZINC000272469143 565288965 /nfs/dbraw/zinc/28/89/65/565288965.db2.gz PESUKBSGRZBHEP-UHFFFAOYSA-N 0 0 393.241 3.290 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC3(CCOCC3)C2)c1 ZINC000272461044 565289301 /nfs/dbraw/zinc/28/93/01/565289301.db2.gz LKZHMWXIDKJFDX-UHFFFAOYSA-N 0 0 388.873 3.138 10 5 GGBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000272473749 565289470 /nfs/dbraw/zinc/28/94/70/565289470.db2.gz XNKUVSCQMVLFQS-GFCCVEGCSA-N 0 0 376.722 3.357 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C3CCOCC3)CC2)c(Cl)c1 ZINC000161849289 565294862 /nfs/dbraw/zinc/29/48/62/565294862.db2.gz LGCYAECSWIDGCZ-UHFFFAOYSA-N 0 0 388.873 3.076 10 5 GGBERN Cc1cc(Cl)c(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000296565176 565323931 /nfs/dbraw/zinc/32/39/31/565323931.db2.gz CTHFHBNTNPIOAM-RNCFNFMXSA-N 0 0 380.750 3.332 10 5 GGBERN Cc1cc(Cl)c(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000296565202 565323958 /nfs/dbraw/zinc/32/39/58/565323958.db2.gz CTHFHBNTNPIOAM-ZANVPECISA-N 0 0 380.750 3.332 10 5 GGBERN Cc1cc(Cl)c(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000296565163 565324049 /nfs/dbraw/zinc/32/40/49/565324049.db2.gz CTHFHBNTNPIOAM-NOZJJQNGSA-N 0 0 380.750 3.332 10 5 GGBERN O=C(Nc1nnc(C2CCC2)[nH]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000273569904 565326149 /nfs/dbraw/zinc/32/61/49/565326149.db2.gz IDVCSAYWUUJPND-UHFFFAOYSA-N 0 0 384.165 3.134 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2nnc(C(F)(F)F)s2)cc1 ZINC000187361730 565326322 /nfs/dbraw/zinc/32/63/22/565326322.db2.gz XLNKKLBJTGTKEQ-UHFFFAOYSA-N 0 0 399.397 3.031 10 5 GGBERN Cc1ccc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)n1 ZINC000187435460 565332753 /nfs/dbraw/zinc/33/27/53/565332753.db2.gz PNQFYLHZKSIDIT-UHFFFAOYSA-N 0 0 385.239 3.343 10 5 GGBERN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nccs1 ZINC000163372852 565345024 /nfs/dbraw/zinc/34/50/24/565345024.db2.gz DPXCNXSOSNMGAG-JTQLQIEISA-N 0 0 395.384 3.500 10 5 GGBERN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N(CC(F)F)C2CC2)c1Cl ZINC000296962424 565347612 /nfs/dbraw/zinc/34/76/12/565347612.db2.gz YIKYAGARROSSGH-UHFFFAOYSA-N 0 0 375.180 3.320 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187694854 565349865 /nfs/dbraw/zinc/34/98/65/565349865.db2.gz GVKKTHCITHOIIU-ZFWWWQNUSA-N 0 0 380.853 3.087 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000374667237 565349920 /nfs/dbraw/zinc/34/99/20/565349920.db2.gz ZSIZXJJEOURAKV-CYBMUJFWSA-N 0 0 390.237 3.457 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000164150413 565356419 /nfs/dbraw/zinc/35/64/19/565356419.db2.gz SUTXVPLNUIETOR-OAHLLOKOSA-N 0 0 381.479 3.151 10 5 GGBERN Cn1cc(-c2cc(CNc3cc(Br)cc([N+](=O)[O-])c3)on2)cn1 ZINC000375077739 565367133 /nfs/dbraw/zinc/36/71/33/565367133.db2.gz AAJRBCXZIZZRSD-UHFFFAOYSA-N 0 0 378.186 3.358 10 5 GGBERN O=C([C@@H]1CCCOCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000375118100 565370280 /nfs/dbraw/zinc/37/02/80/565370280.db2.gz JFPONBNVHFTOQI-LLVKDONJSA-N 0 0 383.242 3.059 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000375272347 565379092 /nfs/dbraw/zinc/37/90/92/565379092.db2.gz NDDCZQSXVQOBGA-INIZCTEOSA-N 0 0 383.242 3.308 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCOC2 ZINC000375408319 565385914 /nfs/dbraw/zinc/38/59/14/565385914.db2.gz FBFPTAWOSPBUIY-OAHLLOKOSA-N 0 0 384.230 3.392 10 5 GGBERN O=C(NCc1cnc2n1CCCC2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000375541178 565394728 /nfs/dbraw/zinc/39/47/28/565394728.db2.gz QIHRYXHLTXMJSP-UHFFFAOYSA-N 0 0 394.229 3.212 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000375559558 565395107 /nfs/dbraw/zinc/39/51/07/565395107.db2.gz GCLNIICISDPKGG-WDEREUQCSA-N 0 0 384.230 3.248 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000375559556 565395617 /nfs/dbraw/zinc/39/56/17/565395617.db2.gz GCLNIICISDPKGG-MNOVXSKESA-N 0 0 384.230 3.248 10 5 GGBERN CC(C)c1csc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000170994730 565401652 /nfs/dbraw/zinc/40/16/52/565401652.db2.gz MOEKDPXUKAKRGH-UHFFFAOYSA-N 0 0 382.829 3.197 10 5 GGBERN Cc1sc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000298402249 565411596 /nfs/dbraw/zinc/41/15/96/565411596.db2.gz UKQCPCRLQKXMDE-SNVBAGLBSA-N 0 0 382.463 3.201 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2nnc(C(F)(F)F)s2)s1 ZINC000275573910 565417946 /nfs/dbraw/zinc/41/79/46/565417946.db2.gz PKUPLHHDPKMYTB-UHFFFAOYSA-N 0 0 391.399 3.081 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)c3cc(Br)ccc32)n1 ZINC000376088711 565421332 /nfs/dbraw/zinc/42/13/32/565421332.db2.gz MRXPSGCELXDKKO-UHFFFAOYSA-N 0 0 379.214 3.029 10 5 GGBERN CCN([C@@H](C)Cc1ccsc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000188762236 565422162 /nfs/dbraw/zinc/42/21/62/565422162.db2.gz LRLQSERNRCREFL-LBPRGKRZSA-N 0 0 384.479 3.307 10 5 GGBERN CCOC(=O)c1csc(N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000275867000 565430062 /nfs/dbraw/zinc/43/00/62/565430062.db2.gz NYARDJFFFZCGPL-UHFFFAOYSA-N 0 0 383.813 3.466 10 5 GGBERN COC(=O)Cc1csc(N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000275899217 565430544 /nfs/dbraw/zinc/43/05/44/565430544.db2.gz TWQDPRQITGRZOQ-UHFFFAOYSA-N 0 0 383.813 3.005 10 5 GGBERN Cc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])ncc1Br)CCO2 ZINC000376406825 565435226 /nfs/dbraw/zinc/43/52/26/565435226.db2.gz JJUJWMAUNXYODD-UHFFFAOYSA-N 0 0 392.209 3.096 10 5 GGBERN C[C@H](CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000276244027 565441579 /nfs/dbraw/zinc/44/15/79/565441579.db2.gz PRKVWTSRGHWMQY-SECBINFHSA-N 0 0 387.223 3.175 10 5 GGBERN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000189141427 565445465 /nfs/dbraw/zinc/44/54/65/565445465.db2.gz CDVWEHVYOOQLAR-SECBINFHSA-N 0 0 394.225 3.439 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N[C@H]3CCCOC3)cc2[N+](=O)[O-])n1 ZINC000171697859 565445538 /nfs/dbraw/zinc/44/55/38/565445538.db2.gz PZPZJXYYZSMFGM-LBPRGKRZSA-N 0 0 379.463 3.420 10 5 GGBERN CO[C@H]1C[C@H](c2nc(C)no2)N(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000189142703 565446628 /nfs/dbraw/zinc/44/66/28/565446628.db2.gz YTNVPSZCARMPPP-GXFFZTMASA-N 0 0 383.202 3.015 10 5 GGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1[nH]nc2ccc(Br)cc21 ZINC000171763400 565449101 /nfs/dbraw/zinc/44/91/01/565449101.db2.gz QMJFCADFQSFJEU-UHFFFAOYSA-N 0 0 389.209 3.206 10 5 GGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1[nH]nc2ccc(Br)cc21 ZINC000171766859 565449836 /nfs/dbraw/zinc/44/98/36/565449836.db2.gz RZLBXCYRAILJAD-UHFFFAOYSA-N 0 0 375.182 3.164 10 5 GGBERN O=C(c1n[nH]c2ccc(Br)cc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000171795459 565450488 /nfs/dbraw/zinc/45/04/88/565450488.db2.gz GEUBXWRRKDMFQL-UHFFFAOYSA-N 0 0 387.193 3.437 10 5 GGBERN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000171825062 565452890 /nfs/dbraw/zinc/45/28/90/565452890.db2.gz PUPNFSKURIBRJK-MNOVXSKESA-N 0 0 379.463 3.200 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000189255324 565454539 /nfs/dbraw/zinc/45/45/39/565454539.db2.gz UUAHMGZOAQARAE-UHFFFAOYSA-N 0 0 379.210 3.225 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000189259845 565454552 /nfs/dbraw/zinc/45/45/52/565454552.db2.gz OYPRGVJHJHZDOM-UHFFFAOYSA-N 0 0 381.186 3.083 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN1CCc2sccc2C1 ZINC000276620763 565455593 /nfs/dbraw/zinc/45/55/93/565455593.db2.gz QXISXZVKXRRVKA-UHFFFAOYSA-N 0 0 379.869 3.406 10 5 GGBERN O=C1CCCN1[C@H]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000276679934 565456551 /nfs/dbraw/zinc/45/65/51/565456551.db2.gz FUPHWJOVKOBTHH-VIFPVBQESA-N 0 0 377.750 3.468 10 5 GGBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000376893650 565458470 /nfs/dbraw/zinc/45/84/70/565458470.db2.gz PSVIFHPLUIASNV-JTQLQIEISA-N 0 0 397.254 3.373 10 5 GGBERN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000301073034 565462360 /nfs/dbraw/zinc/46/23/60/565462360.db2.gz WWZHEZFKKGKHCQ-INIZCTEOSA-N 0 0 381.841 3.459 10 5 GGBERN CCn1c(SC[C@@H](O)CC(F)(F)F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000189388040 565462620 /nfs/dbraw/zinc/46/26/20/565462620.db2.gz ORLXMJBKXUERIC-NSHDSACASA-N 0 0 376.360 3.279 10 5 GGBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1cccc(Br)c1 ZINC000301149169 565466955 /nfs/dbraw/zinc/46/69/55/565466955.db2.gz NQJJKPDSKOMUMJ-UHFFFAOYSA-N 0 0 393.241 3.241 10 5 GGBERN C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000301162370 565469647 /nfs/dbraw/zinc/46/96/47/565469647.db2.gz AZRSGXKOJQEMQX-SECBINFHSA-N 0 0 384.483 3.169 10 5 GGBERN COc1cnccc1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000189568280 565475394 /nfs/dbraw/zinc/47/53/94/565475394.db2.gz RULJBLSHKGDQDV-SNVBAGLBSA-N 0 0 394.225 3.181 10 5 GGBERN COc1cnccc1[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000189589285 565476393 /nfs/dbraw/zinc/47/63/93/565476393.db2.gz FIBWMMFRVYXFJD-SECBINFHSA-N 0 0 380.198 3.252 10 5 GGBERN C[C@H]1SCCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)[C@H]1C ZINC000301282722 565476855 /nfs/dbraw/zinc/47/68/55/565476855.db2.gz LHCWVLJMCSCXIG-WDEREUQCSA-N 0 0 380.857 3.124 10 5 GGBERN CNS(=O)(=O)c1ccc(N[C@@H]2C[C@@H]2c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000301373968 565481630 /nfs/dbraw/zinc/48/16/30/565481630.db2.gz VCEXXGUXBFOZKZ-UKRRQHHQSA-N 0 0 381.841 3.124 10 5 GGBERN CC(C)c1nc2n(n1)C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000301397657 565483431 /nfs/dbraw/zinc/48/34/31/565483431.db2.gz HDIZQWLTMYGLPV-JTQLQIEISA-N 0 0 380.246 3.499 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301411876 565485356 /nfs/dbraw/zinc/48/53/56/565485356.db2.gz KMRSOXBWHFQBTA-QWRGUYRKSA-N 0 0 376.356 3.291 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(Br)cn2)CC1 ZINC000301440478 565485801 /nfs/dbraw/zinc/48/58/01/565485801.db2.gz MHIQLCXTVKDVPV-UHFFFAOYSA-N 0 0 377.242 3.387 10 5 GGBERN NS(=O)(=O)c1cc(N[C@@H](c2ccc(Cl)cc2)C2CC2)cc([N+](=O)[O-])c1 ZINC000301494593 565490865 /nfs/dbraw/zinc/49/08/65/565490865.db2.gz ACMLBJMXCNGTOL-MRXNPFEDSA-N 0 0 381.841 3.459 10 5 GGBERN NS(=O)(=O)c1cc(N[C@H](c2ccc(Cl)cc2)C2CC2)cc([N+](=O)[O-])c1 ZINC000301494592 565490968 /nfs/dbraw/zinc/49/09/68/565490968.db2.gz ACMLBJMXCNGTOL-INIZCTEOSA-N 0 0 381.841 3.459 10 5 GGBERN O=C1[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CCCN1c1ccccc1 ZINC000301509714 565490973 /nfs/dbraw/zinc/49/09/73/565490973.db2.gz CSCLKDVGABEMPR-CQSZACIVSA-N 0 0 391.225 3.360 10 5 GGBERN O=[N+]([O-])c1cnc(NCCc2csc(N3CCCC3)n2)c(Br)c1 ZINC000301507901 565491511 /nfs/dbraw/zinc/49/15/11/565491511.db2.gz BZTNASMZWZNVIU-UHFFFAOYSA-N 0 0 398.286 3.464 10 5 GGBERN CN(Cc1nc(-c2cccnc2)no1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301513763 565492688 /nfs/dbraw/zinc/49/26/88/565492688.db2.gz FWOQOMXGPOEKRR-UHFFFAOYSA-N 0 0 390.197 3.439 10 5 GGBERN CC(C)[C@H](C)NC(=O)C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301561159 565495953 /nfs/dbraw/zinc/49/59/53/565495953.db2.gz UJPOEGAZCQPHPT-NSHDSACASA-N 0 0 399.289 3.129 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1NC[C@@H](CO)c1ccccc1 ZINC000301562946 565496065 /nfs/dbraw/zinc/49/60/65/565496065.db2.gz IXGVJOOMXXSXPQ-LBPRGKRZSA-N 0 0 398.200 3.387 10 5 GGBERN CC1(C)CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000301601823 565498179 /nfs/dbraw/zinc/49/81/79/565498179.db2.gz JMADUMIQXIIPRJ-UHFFFAOYSA-N 0 0 386.779 3.280 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3sccc3Br)cc2N1 ZINC000301614532 565499725 /nfs/dbraw/zinc/49/97/25/565499725.db2.gz IFMYYDZABKEXOR-UHFFFAOYSA-N 0 0 384.211 3.362 10 5 GGBERN CS(=O)(=O)c1ccc(CCNc2cc(Br)ccc2[N+](=O)[O-])cc1 ZINC000301642573 565501037 /nfs/dbraw/zinc/50/10/37/565501037.db2.gz BRUHJEXNVRBSHP-UHFFFAOYSA-N 0 0 399.266 3.415 10 5 GGBERN COC(=O)c1cc(N(C)Cc2cc(Br)cn2C)cc(C)c1[N+](=O)[O-] ZINC000301647277 565502380 /nfs/dbraw/zinc/50/23/80/565502380.db2.gz DTBLMDXMFMPFNF-UHFFFAOYSA-N 0 0 396.241 3.427 10 5 GGBERN Cn1cc(N2CCC[C@H](Nc3cc(Br)ccc3[N+](=O)[O-])C2)cn1 ZINC000301679646 565504230 /nfs/dbraw/zinc/50/42/30/565504230.db2.gz RLQAMZUUWOCLDQ-LBPRGKRZSA-N 0 0 380.246 3.172 10 5 GGBERN CCNC(=O)N1CC[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301686304 565504602 /nfs/dbraw/zinc/50/46/02/565504602.db2.gz WZOAKEFDNYRBGR-QMMMGPOBSA-N 0 0 380.754 3.483 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000301683671 565504657 /nfs/dbraw/zinc/50/46/57/565504657.db2.gz UNSRPDMPOLPASL-JTQLQIEISA-N 0 0 398.648 3.492 10 5 GGBERN Cc1ccc(C)c(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000190071440 565505130 /nfs/dbraw/zinc/50/51/30/565505130.db2.gz LTSFWCWZGKIAPY-CQSZACIVSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1nc(N2CCN(Cc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301718839 565507018 /nfs/dbraw/zinc/50/70/18/565507018.db2.gz OXKDGLVXXCHKLV-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN C[C@@H](Cc1ccc(F)c(Br)c1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301726496 565507221 /nfs/dbraw/zinc/50/72/21/565507221.db2.gz VJZJQHCJTQQAGB-QMMMGPOBSA-N 0 0 397.204 3.033 10 5 GGBERN Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000301724303 565507284 /nfs/dbraw/zinc/50/72/84/565507284.db2.gz SZSZTOIRANKXHU-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN CSc1ccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277591289 565508620 /nfs/dbraw/zinc/50/86/20/565508620.db2.gz NDHCKOAYNXBIDI-ZWNOBZJWSA-N 0 0 378.372 3.092 10 5 GGBERN Cc1ccc(N2CCN(Cc3ccc(Br)cn3)CC2)c([N+](=O)[O-])c1 ZINC000301810805 565510841 /nfs/dbraw/zinc/51/08/41/565510841.db2.gz GWKWMGPQXTYYRC-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN COC(=O)c1cc(CNc2c(Br)cncc2[N+](=O)[O-])ccc1OC ZINC000301818364 565512349 /nfs/dbraw/zinc/51/23/49/565512349.db2.gz ADUYQQVCCQGTJO-UHFFFAOYSA-N 0 0 396.197 3.160 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccc(O)c3)C2)c(Br)c1 ZINC000301892567 565516358 /nfs/dbraw/zinc/51/63/58/565516358.db2.gz VWEDXKUOMYCSEE-AWEZNQCLSA-N 0 0 380.198 3.036 10 5 GGBERN CC(C)(C)c1nc(CCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cs1 ZINC000301893991 565516439 /nfs/dbraw/zinc/51/64/39/565516439.db2.gz PFKLXNLUICUQQT-UHFFFAOYSA-N 0 0 383.495 3.407 10 5 GGBERN O=C(NCCCc1nccs1)c1sc(Br)cc1[N+](=O)[O-] ZINC000277749257 565517400 /nfs/dbraw/zinc/51/74/00/565517400.db2.gz PYIMDDSXSCQDRI-UHFFFAOYSA-N 0 0 376.257 3.238 10 5 GGBERN CCO[C@H]1C[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000301924089 565519223 /nfs/dbraw/zinc/51/92/23/565519223.db2.gz FZZXIQYIYWRZRH-OLZOCXBDSA-N 0 0 388.511 3.234 10 5 GGBERN COc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1Br ZINC000301988850 565523059 /nfs/dbraw/zinc/52/30/59/565523059.db2.gz LQSICVDGUAWWAG-UHFFFAOYSA-N 0 0 378.186 3.021 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378394174 565524855 /nfs/dbraw/zinc/52/48/55/565524855.db2.gz JHZUUOKMEBOKQR-UHFFFAOYSA-N 0 0 379.825 3.121 10 5 GGBERN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000302073615 565527847 /nfs/dbraw/zinc/52/78/47/565527847.db2.gz GBKXSAUULZOMDX-INIZCTEOSA-N 0 0 381.841 3.459 10 5 GGBERN CC1(C)CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000190403020 565529781 /nfs/dbraw/zinc/52/97/81/565529781.db2.gz LCYIBVCSADQUKM-CYBMUJFWSA-N 0 0 380.388 3.335 10 5 GGBERN Cc1noc(C)c1CO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000302146181 565532700 /nfs/dbraw/zinc/53/27/00/565532700.db2.gz JKANLEODITVJBI-LBPRGKRZSA-N 0 0 397.229 3.153 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC(c3noc(C4CC4)n3)CC2)c(Br)c1 ZINC000302166654 565534251 /nfs/dbraw/zinc/53/42/51/565534251.db2.gz JVSMCZFWZMTNSH-UHFFFAOYSA-N 0 0 394.229 3.397 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccc(I)cc2)nc1 ZINC000302171003 565535017 /nfs/dbraw/zinc/53/50/17/565535017.db2.gz URKIWHLYJKZZRQ-ZDUSSCGKSA-N 0 0 396.188 3.331 10 5 GGBERN O=C1[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])CCCN1c1cccnc1 ZINC000302194272 565535799 /nfs/dbraw/zinc/53/57/99/565535799.db2.gz WSGLXFGWTDKHOG-CQSZACIVSA-N 0 0 391.225 3.360 10 5 GGBERN CSCCCCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000173202826 565535773 /nfs/dbraw/zinc/53/57/73/565535773.db2.gz DZSJTVLKHSKWSZ-UHFFFAOYSA-N 0 0 397.316 3.087 10 5 GGBERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000173213624 565537437 /nfs/dbraw/zinc/53/74/37/565537437.db2.gz RZONVLKFRJDAHL-VHSXEESVSA-N 0 0 377.260 3.166 10 5 GGBERN CCC1(CC)CN(c2ccc(Br)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000302231386 565538374 /nfs/dbraw/zinc/53/83/74/565538374.db2.gz XOISBRDTBHHXAP-NRFANRHFSA-N 0 0 375.288 3.485 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000378647240 565538761 /nfs/dbraw/zinc/53/87/61/565538761.db2.gz IEGZZBJTWVZGKZ-LLVKDONJSA-N 0 0 399.270 3.369 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC([C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000190526288 565539074 /nfs/dbraw/zinc/53/90/74/565539074.db2.gz HGARJPCCLDRATI-MRXNPFEDSA-N 0 0 388.873 3.136 10 5 GGBERN O=[N+]([O-])c1cnc(NC2CCC(Oc3cnccn3)CC2)c(Br)c1 ZINC000302567809 565546000 /nfs/dbraw/zinc/54/60/00/565546000.db2.gz PHCDFOLEVUDSDO-UHFFFAOYSA-N 0 0 394.229 3.344 10 5 GGBERN CO[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CC[C@H]1C ZINC000302595865 565547220 /nfs/dbraw/zinc/54/72/20/565547220.db2.gz XIFXFAIQBZBGNN-NOZJJQNGSA-N 0 0 376.194 3.061 10 5 GGBERN CO[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CC[C@H]1C ZINC000302595866 565547480 /nfs/dbraw/zinc/54/74/80/565547480.db2.gz XIFXFAIQBZBGNN-RNCFNFMXSA-N 0 0 376.194 3.061 10 5 GGBERN Cc1cc(N2CCC[C@@H](NC(=O)C(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302681351 565549905 /nfs/dbraw/zinc/54/99/05/565549905.db2.gz PCJCSYKGEIQKMW-GFCCVEGCSA-N 0 0 384.274 3.407 10 5 GGBERN Cc1cc(N[C@H]2CCCN(c3cnn(C)c3)C2)c(Br)cc1[N+](=O)[O-] ZINC000302697395 565551163 /nfs/dbraw/zinc/55/11/63/565551163.db2.gz TXPMVDLQUMPXJB-LBPRGKRZSA-N 0 0 394.273 3.480 10 5 GGBERN CC1(C)CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[C@H]1C(F)(F)F ZINC000302731360 565552898 /nfs/dbraw/zinc/55/28/98/565552898.db2.gz SRPGWSLOHQDXHS-CYBMUJFWSA-N 0 0 380.388 3.413 10 5 GGBERN CC1(C)CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[C@@H]1C(F)(F)F ZINC000302731361 565553162 /nfs/dbraw/zinc/55/31/62/565553162.db2.gz SRPGWSLOHQDXHS-ZDUSSCGKSA-N 0 0 380.388 3.413 10 5 GGBERN CC1(C)CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000302734159 565553656 /nfs/dbraw/zinc/55/36/56/565553656.db2.gz VQMXNKYNNITKKE-SECBINFHSA-N 0 0 386.417 3.475 10 5 GGBERN COC(=O)c1cnc(NCc2ccc(Br)cc2OC)c([N+](=O)[O-])c1 ZINC000302781223 565556303 /nfs/dbraw/zinc/55/63/03/565556303.db2.gz RXAUVIWTEPERFZ-UHFFFAOYSA-N 0 0 396.197 3.160 10 5 GGBERN COC(=O)c1cnc(NCc2cc(F)cc(Br)c2)c([N+](=O)[O-])c1 ZINC000302783543 565556908 /nfs/dbraw/zinc/55/69/08/565556908.db2.gz UCRHQEYLGYWGKQ-UHFFFAOYSA-N 0 0 384.161 3.290 10 5 GGBERN O=[N+]([O-])c1ccc(F)cc1N1CCN(c2ccc(Br)cn2)CC1 ZINC000302822231 565559274 /nfs/dbraw/zinc/55/92/74/565559274.db2.gz RZZOQBLWCPZVOA-UHFFFAOYSA-N 0 0 381.205 3.218 10 5 GGBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000173480801 565560855 /nfs/dbraw/zinc/56/08/55/565560855.db2.gz LWMCTGSZTHQFEV-VIFPVBQESA-N 0 0 395.257 3.069 10 5 GGBERN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)CO1 ZINC000173592899 565569684 /nfs/dbraw/zinc/56/96/84/565569684.db2.gz SOQROTIYNASWMT-TZMCWYRMSA-N 0 0 382.463 3.115 10 5 GGBERN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)CO1 ZINC000173592883 565569750 /nfs/dbraw/zinc/56/97/50/565569750.db2.gz SOQROTIYNASWMT-OCCSQVGLSA-N 0 0 382.463 3.115 10 5 GGBERN Cc1csc([C@@H]2CCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000173818242 565589537 /nfs/dbraw/zinc/58/95/37/565589537.db2.gz XZDHBIFIUVUYII-CQSZACIVSA-N 0 0 381.479 3.069 10 5 GGBERN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000173818624 565589894 /nfs/dbraw/zinc/58/98/94/565589894.db2.gz XWMSIKMHTACWFW-LLVKDONJSA-N 0 0 385.442 3.067 10 5 GGBERN Cc1csc([C@H]2CCCN(S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC000173816915 565590027 /nfs/dbraw/zinc/59/00/27/565590027.db2.gz KQFQAIXOVJERJY-ZDUSSCGKSA-N 0 0 381.479 3.236 10 5 GGBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1Br ZINC000191338248 565597658 /nfs/dbraw/zinc/59/76/58/565597658.db2.gz UBCJZKMNXXGOES-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000173969538 565603299 /nfs/dbraw/zinc/60/32/99/565603299.db2.gz AQMWUUJZIDXPKZ-GFCCVEGCSA-N 0 0 379.404 3.279 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000408387013 565607153 /nfs/dbraw/zinc/60/71/53/565607153.db2.gz TYVOYTNNRLZZJE-INIZCTEOSA-N 0 0 383.242 3.390 10 5 GGBERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1Br ZINC000174052843 565608951 /nfs/dbraw/zinc/60/89/51/565608951.db2.gz RQDHGKYMDQSGAK-HUUCEWRRSA-N 0 0 393.241 3.468 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(Br)c2)C2CC2)n1 ZINC000191500816 565609301 /nfs/dbraw/zinc/60/93/01/565609301.db2.gz DIPCHRWEVDZSKC-UHFFFAOYSA-N 0 0 393.241 3.379 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)c(Br)c1 ZINC000408447303 565609836 /nfs/dbraw/zinc/60/98/36/565609836.db2.gz WOGMQNPUQZHZID-QWRGUYRKSA-N 0 0 389.271 3.168 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)n1 ZINC000191540118 565611813 /nfs/dbraw/zinc/61/18/13/565611813.db2.gz RQKGPYRDPDLSPL-UHFFFAOYSA-N 0 0 378.439 3.260 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Br)cc3)CCC2)n1 ZINC000191558785 565613798 /nfs/dbraw/zinc/61/37/98/565613798.db2.gz QGKSZRGQRGGUJM-UHFFFAOYSA-N 0 0 393.241 3.383 10 5 GGBERN CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000191648411 565619502 /nfs/dbraw/zinc/61/95/02/565619502.db2.gz AIUCUWYXHXMYPI-SSDOTTSWSA-N 0 0 377.348 3.168 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCOCc2ccc(Cl)cc2Cl)n1 ZINC000191700782 565622908 /nfs/dbraw/zinc/62/29/08/565622908.db2.gz OXLYPOPNIWAVDV-UHFFFAOYSA-N 0 0 387.223 3.065 10 5 GGBERN CS(=O)(=O)NC[C@H]1CCC[C@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409541061 565623677 /nfs/dbraw/zinc/62/36/77/565623677.db2.gz MZNJZPMKJQQNQJ-PRHODGIISA-N 0 0 382.269 3.031 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000327206666 565628096 /nfs/dbraw/zinc/62/80/96/565628096.db2.gz NINOSPNOWCNVSH-OAHLLOKOSA-N 0 0 381.841 3.105 10 5 GGBERN CO[C@H]1CC[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000191764059 565629986 /nfs/dbraw/zinc/62/99/86/565629986.db2.gz MGNAXXJISALKFO-MNOVXSKESA-N 0 0 378.372 3.389 10 5 GGBERN CO[C@@H]1CC[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000191764045 565630199 /nfs/dbraw/zinc/63/01/99/565630199.db2.gz MGNAXXJISALKFO-GHMZBOCLSA-N 0 0 378.372 3.389 10 5 GGBERN CCn1c(CNc2ncc([N+](=O)[O-])s2)nc2cc(Br)ccc21 ZINC000409675463 565632591 /nfs/dbraw/zinc/63/25/91/565632591.db2.gz KUESXDOCRQRQAY-UHFFFAOYSA-N 0 0 382.243 3.217 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCN(Cc3ccc(Br)cc3)CC2)s1 ZINC000409713018 565636702 /nfs/dbraw/zinc/63/67/02/565636702.db2.gz BQRBMBANJSXARR-UHFFFAOYSA-N 0 0 383.271 3.136 10 5 GGBERN CCN1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1=O ZINC000191845211 565637133 /nfs/dbraw/zinc/63/71/33/565637133.db2.gz FQEMFZYAGZSRLN-UHFFFAOYSA-N 0 0 394.225 3.239 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cccc3[nH]ccc32)c(Cl)c1 ZINC000409929721 565649933 /nfs/dbraw/zinc/64/99/33/565649933.db2.gz RSTUOFHOCFWQSE-UHFFFAOYSA-N 0 0 379.825 3.251 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2C(F)F)c1 ZINC000409926453 565650178 /nfs/dbraw/zinc/65/01/78/565650178.db2.gz VKXIVVMQCIJHQI-NSHDSACASA-N 0 0 399.213 3.166 10 5 GGBERN Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000192043322 565652258 /nfs/dbraw/zinc/65/22/58/565652258.db2.gz VNAIZVHOZPNKGV-CQSZACIVSA-N 0 0 382.463 3.035 10 5 GGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)c(Br)c1 ZINC000174690137 565652604 /nfs/dbraw/zinc/65/26/04/565652604.db2.gz CYOYWCDDISUXIQ-LLVKDONJSA-N 0 0 378.230 3.228 10 5 GGBERN O=C(Nc1ccc(N2CCC2=O)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000410251911 565673784 /nfs/dbraw/zinc/67/37/84/565673784.db2.gz VUOXSNPUEKSIPF-UHFFFAOYSA-N 0 0 390.193 3.346 10 5 GGBERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cccc([N+](=O)[O-])c1Br ZINC000192341773 565681898 /nfs/dbraw/zinc/68/18/98/565681898.db2.gz WTKRWGITHVSOJP-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN Cn1nccc1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000192354417 565682505 /nfs/dbraw/zinc/68/25/05/565682505.db2.gz DQBVRPSTXAHQJT-UHFFFAOYSA-N 0 0 393.241 3.111 10 5 GGBERN Cc1c(NC(=O)N(C)C[C@H]2CCC[C@H]2O)cc(Br)cc1[N+](=O)[O-] ZINC000280632627 565685479 /nfs/dbraw/zinc/68/54/79/565685479.db2.gz AKLLZQMUCFXBKB-QMTHXVAHSA-N 0 0 386.246 3.290 10 5 GGBERN Cc1noc(CCCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000280660537 565687473 /nfs/dbraw/zinc/68/74/73/565687473.db2.gz DEZLLNASSYFNAM-UHFFFAOYSA-N 0 0 398.217 3.111 10 5 GGBERN COCCn1cc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000280795697 565696622 /nfs/dbraw/zinc/69/66/22/565696622.db2.gz QONCUJUFGNOOBO-UHFFFAOYSA-N 0 0 398.217 3.153 10 5 GGBERN CCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280838899 565699026 /nfs/dbraw/zinc/69/90/26/565699026.db2.gz YPHPCZHHCCAYFR-ZDUSSCGKSA-N 0 0 398.257 3.395 10 5 GGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000281053252 565709604 /nfs/dbraw/zinc/70/96/04/565709604.db2.gz KLBLGMFTBKMOJZ-CQSZACIVSA-N 0 0 393.241 3.458 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCN(c2nccs2)CC1 ZINC000281049307 565709881 /nfs/dbraw/zinc/70/98/81/565709881.db2.gz GHFCDEUKMYOSBK-UHFFFAOYSA-N 0 0 380.857 3.412 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(Cl)cc(Br)c32)n1 ZINC000411107764 565712244 /nfs/dbraw/zinc/71/22/44/565712244.db2.gz HEQHJAQLUYZURQ-UHFFFAOYSA-N 0 0 399.632 3.337 10 5 GGBERN CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330663927 565718405 /nfs/dbraw/zinc/71/84/05/565718405.db2.gz XWZSFDFSWAEKAA-GFCCVEGCSA-N 0 0 376.862 3.218 10 5 GGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000281330884 565724365 /nfs/dbraw/zinc/72/43/65/565724365.db2.gz QRWALBMEAPWEPL-HNNXBMFYSA-N 0 0 393.241 3.458 10 5 GGBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176010729 565741162 /nfs/dbraw/zinc/74/11/62/565741162.db2.gz UXLKGZCMFSQLDA-SECBINFHSA-N 0 0 395.257 3.069 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CCC(C(F)F)CC1 ZINC000411661461 565743101 /nfs/dbraw/zinc/74/31/01/565743101.db2.gz MINNDOOLVAGFBK-UHFFFAOYSA-N 0 0 375.759 3.127 10 5 GGBERN Cc1sc(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000176082326 565746804 /nfs/dbraw/zinc/74/68/04/565746804.db2.gz ZSVHVLGXKWBCJW-NSHDSACASA-N 0 0 380.447 3.140 10 5 GGBERN CC1(C)CCC[C@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000331249017 565749909 /nfs/dbraw/zinc/74/99/09/565749909.db2.gz NXNASVDUTJJOCU-QGZVFWFLSA-N 0 0 399.285 3.347 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC=C(Br)C1 ZINC000282107780 565765218 /nfs/dbraw/zinc/76/52/18/565765218.db2.gz FOGSTMPMPSZOKD-UHFFFAOYSA-N 0 0 390.031 3.482 10 5 GGBERN Cc1c(C(=O)N2CCC=C(Br)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000282232947 565770307 /nfs/dbraw/zinc/77/03/07/565770307.db2.gz NOUMMRJIVOBMSC-UHFFFAOYSA-N 0 0 384.186 3.245 10 5 GGBERN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331606569 565771568 /nfs/dbraw/zinc/77/15/68/565771568.db2.gz OSPYIBUEBOVOEQ-ZUZCIYMTSA-N 0 0 394.225 3.288 10 5 GGBERN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000412355478 565784169 /nfs/dbraw/zinc/78/41/69/565784169.db2.gz AHIWASIVXZSMKP-BIGNPOOSSA-N 0 0 391.225 3.128 10 5 GGBERN Nc1c(C(=O)N2CCc3cccc(Br)c3C2)cccc1[N+](=O)[O-] ZINC000176774931 565801334 /nfs/dbraw/zinc/80/13/34/565801334.db2.gz UTSXOSVSFGNADV-UHFFFAOYSA-N 0 0 376.210 3.138 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000194433556 565814610 /nfs/dbraw/zinc/81/46/10/565814610.db2.gz MCCVOCVYDQWFBX-CJNGLKHVSA-N 0 0 382.463 3.103 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCN(Cc3ccc(Br)cc3)CC2)c(F)c1 ZINC000413191571 565838786 /nfs/dbraw/zinc/83/87/86/565838786.db2.gz DEKNCKUYDHRYTH-UHFFFAOYSA-N 0 0 395.232 3.214 10 5 GGBERN Cn1cc(Br)c(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000413318799 565846056 /nfs/dbraw/zinc/84/60/56/565846056.db2.gz SLAPVLPFGMWEOK-UHFFFAOYSA-N 0 0 380.124 3.117 10 5 GGBERN CN(C)S(=O)(=O)c1ccc(N2Cc3ccc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC000413458726 565853937 /nfs/dbraw/zinc/85/39/37/565853937.db2.gz RKIHWMUNTSJVOG-UHFFFAOYSA-N 0 0 381.841 3.019 10 5 GGBERN CC1(C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000177512165 565856283 /nfs/dbraw/zinc/85/62/83/565856283.db2.gz CNJZDVFQILQAKX-UHFFFAOYSA-N 0 0 388.287 3.123 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000177579183 565861263 /nfs/dbraw/zinc/86/12/63/565861263.db2.gz AUMVMIVXLDKMPL-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC3(CCOCC3)CC2)c1 ZINC000284641139 565861958 /nfs/dbraw/zinc/86/19/58/565861958.db2.gz LLAZRDJCDSQYGH-UHFFFAOYSA-N 0 0 388.873 3.138 10 5 GGBERN O=[N+]([O-])c1cnccc1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000413613450 565862818 /nfs/dbraw/zinc/86/28/18/565862818.db2.gz GARJWMVGFAFDLE-UHFFFAOYSA-N 0 0 391.269 3.251 10 5 GGBERN Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000225708157 565916040 /nfs/dbraw/zinc/91/60/40/565916040.db2.gz NXZPFMZRMDDCSB-UHFFFAOYSA-N 0 0 379.291 3.257 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Br)s3)CCC2)n1 ZINC000285815499 565928065 /nfs/dbraw/zinc/92/80/65/565928065.db2.gz FQHKKAZHTWBFRY-UHFFFAOYSA-N 0 0 399.270 3.004 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000178647773 565931745 /nfs/dbraw/zinc/93/17/45/565931745.db2.gz NOGNEZCXTFWIQI-OAHLLOKOSA-N 0 0 382.825 3.191 10 5 GGBERN COC(=O)CCCCCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000178720653 565934297 /nfs/dbraw/zinc/93/42/97/565934297.db2.gz GEMDTGNKFSSXFZ-UHFFFAOYSA-N 0 0 387.230 3.129 10 5 GGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000360808759 565961800 /nfs/dbraw/zinc/96/18/00/565961800.db2.gz GKTGWXKUEWOUJK-DAXOMENPSA-N 0 0 385.258 3.126 10 5 GGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000360808760 565961825 /nfs/dbraw/zinc/96/18/25/565961825.db2.gz GKTGWXKUEWOUJK-KCXAZCMYSA-N 0 0 385.258 3.126 10 5 GGBERN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1csc(Br)c1 ZINC000179282323 565970713 /nfs/dbraw/zinc/97/07/13/565970713.db2.gz MJAOLYZOLZYZCY-UHFFFAOYSA-N 0 0 394.044 3.391 10 5 GGBERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000179224158 565966685 /nfs/dbraw/zinc/96/66/85/565966685.db2.gz YJHZQBOPSKOZTE-LDYMZIIASA-N 0 0 391.649 3.292 10 5 GGBERN O=C(N[C@H]1CCCC[C@H]1CO)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000179224196 565966999 /nfs/dbraw/zinc/96/69/99/565966999.db2.gz YJHZQBOPSKOZTE-KWQFWETISA-N 0 0 391.649 3.292 10 5 GGBERN COC(=O)c1cc(C)nc(Sc2nnc(C(F)(F)F)s2)c1[N+](=O)[O-] ZINC000286559664 565966957 /nfs/dbraw/zinc/96/69/57/565966957.db2.gz FCVHZYSCNWCJQI-UHFFFAOYSA-N 0 0 380.329 3.106 10 5 GGBERN COC(=O)c1cncc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000179285517 565970124 /nfs/dbraw/zinc/97/01/24/565970124.db2.gz QPFKWBJUUVBLEW-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCOC[C@@H]2CC(F)F)cc1[N+](=O)[O-] ZINC000286643079 565972799 /nfs/dbraw/zinc/97/27/99/565972799.db2.gz FTYWRILCHIFTPS-JTQLQIEISA-N 0 0 393.184 3.162 10 5 GGBERN COCC[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000286745823 565977276 /nfs/dbraw/zinc/97/72/76/565977276.db2.gz HJZLBFINDMSKKF-GFCCVEGCSA-N 0 0 387.223 3.143 10 5 GGBERN COCC[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000286745825 565977628 /nfs/dbraw/zinc/97/76/28/565977628.db2.gz HJZLBFINDMSKKF-LBPRGKRZSA-N 0 0 387.223 3.143 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1CC(F)F ZINC000286785327 565979483 /nfs/dbraw/zinc/97/94/83/565979483.db2.gz SMKGZANQFQABNA-JTQLQIEISA-N 0 0 393.184 3.162 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000286926369 565987235 /nfs/dbraw/zinc/98/72/35/565987235.db2.gz DBGWHUPXPCLRDI-CQSZACIVSA-N 0 0 379.214 3.366 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCOCc2ccc(Cl)cc2)s1 ZINC000179613659 565992687 /nfs/dbraw/zinc/99/26/87/565992687.db2.gz QXYRUPXKGVMUSC-UHFFFAOYSA-N 0 0 390.870 3.342 10 5 GGBERN CCn1cc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000287270386 566008063 /nfs/dbraw/zinc/00/80/63/566008063.db2.gz SRTIPMMCCYCVOV-UHFFFAOYSA-N 0 0 382.218 3.204 10 5 GGBERN O=C1CCCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000245985510 566013826 /nfs/dbraw/zinc/01/38/26/566013826.db2.gz PYBIDWCATDHIQI-CHWSQXEVSA-N 0 0 386.857 3.161 10 5 GGBERN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000246251355 566022660 /nfs/dbraw/zinc/02/26/60/566022660.db2.gz SOQROTIYNASWMT-JSGCOSHPSA-N 0 0 382.463 3.115 10 5 GGBERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc([N+](=O)[O-])ccc1Br ZINC000246823088 566042210 /nfs/dbraw/zinc/04/22/10/566042210.db2.gz QBNKGNPFQLCLOR-KCPJHIHWSA-N 0 0 395.253 3.435 10 5 GGBERN COC(=O)c1cc(C)nc(N[C@H](C)c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000287830717 566042439 /nfs/dbraw/zinc/04/24/39/566042439.db2.gz QYDQLOIQDZASEM-SECBINFHSA-N 0 0 395.213 3.415 10 5 GGBERN Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180196530 566043061 /nfs/dbraw/zinc/04/30/61/566043061.db2.gz MVNOIJOCAWGBRH-SECBINFHSA-N 0 0 387.845 3.243 10 5 GGBERN Cc1cnc(CCN(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)s1 ZINC000180208433 566043991 /nfs/dbraw/zinc/04/39/91/566043991.db2.gz OFQDTLLBZMTPDJ-UHFFFAOYSA-N 0 0 389.886 3.185 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2c[nH]cn2)CC1 ZINC000364335169 566045002 /nfs/dbraw/zinc/04/50/02/566045002.db2.gz DTEVKLCOPANBJJ-UHFFFAOYSA-N 0 0 379.214 3.100 10 5 GGBERN Cc1nc(C2(NC(=O)c3cccc([N+](=O)[O-])c3Br)CCCC2)no1 ZINC000180343633 566055779 /nfs/dbraw/zinc/05/57/79/566055779.db2.gz HOCVJNRJOQDGJH-UHFFFAOYSA-N 0 0 395.213 3.248 10 5 GGBERN Cc1cnc(CCN(C)C(=O)c2cccc([N+](=O)[O-])c2Br)s1 ZINC000180349180 566057046 /nfs/dbraw/zinc/05/70/46/566057046.db2.gz GCBZGNMQCAVEKS-UHFFFAOYSA-N 0 0 384.255 3.437 10 5 GGBERN Cc1cnc([C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C2CC2)s1 ZINC000416405049 566063406 /nfs/dbraw/zinc/06/34/06/566063406.db2.gz AYUNILOFEMNDJI-HNNXBMFYSA-N 0 0 381.479 3.406 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000180472404 566065421 /nfs/dbraw/zinc/06/54/21/566065421.db2.gz FXKJQVABCZHNEG-UHFFFAOYSA-N 0 0 378.182 3.100 10 5 GGBERN C[C@H](NC(=O)NCCCn1cc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000288314561 566067338 /nfs/dbraw/zinc/06/73/38/566067338.db2.gz IFTJHALPANWATM-NSHDSACASA-N 0 0 396.245 3.004 10 5 GGBERN C[C@@H](NC(=O)NCCCn1cc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000288314548 566067626 /nfs/dbraw/zinc/06/76/26/566067626.db2.gz IFTJHALPANWATM-LLVKDONJSA-N 0 0 396.245 3.004 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(S(=O)(=O)c1cc(Cl)sc1Cl)CC2 ZINC000416455785 566070834 /nfs/dbraw/zinc/07/08/34/566070834.db2.gz KKQLMRHPSIGCCS-UHFFFAOYSA-N 0 0 394.261 3.105 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCSC[C@@H]2c2nccs2)c(C)cc1[N+](=O)[O-] ZINC000416466224 566071703 /nfs/dbraw/zinc/07/17/03/566071703.db2.gz PTDTYTFRYBVYFY-CYBMUJFWSA-N 0 0 399.519 3.147 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(F)cc(Cl)cc1F ZINC000180663587 566080740 /nfs/dbraw/zinc/08/07/40/566080740.db2.gz SQMGCJRMSNLPPK-UHFFFAOYSA-N 0 0 378.740 3.336 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cccc(Cl)c2C1 ZINC000416530394 566082252 /nfs/dbraw/zinc/08/22/52/566082252.db2.gz LYJINKSOIYLAOS-UHFFFAOYSA-N 0 0 382.825 3.004 10 5 GGBERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc([N+](=O)[O-])c1Br ZINC000248756920 566089265 /nfs/dbraw/zinc/08/92/65/566089265.db2.gz HSMUMNQKOLRBTE-ZLKJLUDKSA-N 0 0 381.226 3.045 10 5 GGBERN C[C@H]1CC(C)(C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416624200 566097643 /nfs/dbraw/zinc/09/76/43/566097643.db2.gz ZBXINNFSLXHOPG-VIFPVBQESA-N 0 0 377.260 3.166 10 5 GGBERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000249204071 566098945 /nfs/dbraw/zinc/09/89/45/566098945.db2.gz RNNMSPXIIJLAPC-XRNSZHNASA-N 0 0 389.633 3.308 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000416656024 566100840 /nfs/dbraw/zinc/10/08/40/566100840.db2.gz WWLVHXLJEAKVAR-OAHLLOKOSA-N 0 0 382.825 3.106 10 5 GGBERN CN1CCOc2ccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cc21 ZINC000365659274 566113299 /nfs/dbraw/zinc/11/32/99/566113299.db2.gz GFSXRBQYNHMKMH-UHFFFAOYSA-N 0 0 398.238 3.500 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000181113863 566115757 /nfs/dbraw/zinc/11/57/57/566115757.db2.gz ZFQQJNDUMQSKIU-HNNXBMFYSA-N 0 0 379.210 3.129 10 5 GGBERN CSCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000255942687 566122355 /nfs/dbraw/zinc/12/23/55/566122355.db2.gz ALUKGKNIPKAJHB-UHFFFAOYSA-N 0 0 377.388 3.015 10 5 GGBERN CN(Cc1noc(C2CC2)n1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000417110452 566125541 /nfs/dbraw/zinc/12/55/41/566125541.db2.gz KPJUQASXVGYQBD-UHFFFAOYSA-N 0 0 396.201 3.282 10 5 GGBERN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000289748046 566137530 /nfs/dbraw/zinc/13/75/30/566137530.db2.gz GHNAJMKZQQWANI-ZETCQYMHSA-N 0 0 390.742 3.350 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000181368401 566137633 /nfs/dbraw/zinc/13/76/33/566137633.db2.gz OFYLGKRBEXDZHM-LBPRGKRZSA-N 0 0 394.229 3.151 10 5 GGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000181450115 566141713 /nfs/dbraw/zinc/14/17/13/566141713.db2.gz WVGVLTFNFFVTSG-AWEZNQCLSA-N 0 0 378.372 3.235 10 5 GGBERN C[C@H]1CO[C@H](c2ccccc2)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181522546 566147725 /nfs/dbraw/zinc/14/77/25/566147725.db2.gz NZWVTPAMDMRDQE-FZMZJTMJSA-N 0 0 382.463 3.026 10 5 GGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181522529 566148160 /nfs/dbraw/zinc/14/81/60/566148160.db2.gz NZWVTPAMDMRDQE-RISCZKNCSA-N 0 0 382.463 3.026 10 5 GGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181522563 566148509 /nfs/dbraw/zinc/14/85/09/566148509.db2.gz NZWVTPAMDMRDQE-BXUZGUMPSA-N 0 0 382.463 3.026 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1c1ccco1 ZINC000366453786 566153194 /nfs/dbraw/zinc/15/31/94/566153194.db2.gz BRJWKNQPSVYBQK-CYBMUJFWSA-N 0 0 381.182 3.164 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000181928542 566173832 /nfs/dbraw/zinc/17/38/32/566173832.db2.gz KPQCONNTFCVTFY-SECBINFHSA-N 0 0 375.328 3.048 10 5 GGBERN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1Br ZINC000181998058 566176595 /nfs/dbraw/zinc/17/65/95/566176595.db2.gz BZSLLQWRUWLWNR-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000182009211 566178385 /nfs/dbraw/zinc/17/83/85/566178385.db2.gz BQXKEIBEJCEBRW-UHFFFAOYSA-N 0 0 379.166 3.396 10 5 GGBERN Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000366999530 566180323 /nfs/dbraw/zinc/18/03/23/566180323.db2.gz WRBROXHXVNJLCF-JTQLQIEISA-N 0 0 379.214 3.149 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000367141603 566186801 /nfs/dbraw/zinc/18/68/01/566186801.db2.gz USCNDDTUZYJXSD-AWEZNQCLSA-N 0 0 392.209 3.314 10 5 GGBERN CCO[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCCC2 ZINC000367197734 566190812 /nfs/dbraw/zinc/19/08/12/566190812.db2.gz ZNAISVCGIGEAQJ-OLZOCXBDSA-N 0 0 398.257 3.220 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCCC[C@@H]2c2nccs2)cc1 ZINC000182225705 566190927 /nfs/dbraw/zinc/19/09/27/566190927.db2.gz JYCZZPLCDLZGPV-OAHLLOKOSA-N 0 0 381.479 3.052 10 5 GGBERN CCN(CCc1nccs1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290847624 566192141 /nfs/dbraw/zinc/19/21/41/566192141.db2.gz WITIGLASGYFUDM-UHFFFAOYSA-N 0 0 393.849 3.097 10 5 GGBERN CS(=O)(=O)CC[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368042576 566229003 /nfs/dbraw/zinc/22/90/03/566229003.db2.gz LTKREBZAIPGPQU-LLVKDONJSA-N 0 0 389.861 3.069 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCOC3)c(Cl)cc1Cl ZINC000368131706 566231302 /nfs/dbraw/zinc/23/13/02/566231302.db2.gz BPPCXYLLXWDJRF-CQSZACIVSA-N 0 0 395.264 3.093 10 5 GGBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000183034143 566235874 /nfs/dbraw/zinc/23/58/74/566235874.db2.gz UMMHPJMYXUYEMR-GFCCVEGCSA-N 0 0 385.442 3.415 10 5 GGBERN Cc1cc(C(=O)NCC(=O)N[C@H](C)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000183083669 566237115 /nfs/dbraw/zinc/23/71/15/566237115.db2.gz BCOCNMOQXFTTPS-SNVBAGLBSA-N 0 0 381.841 3.225 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000183304417 566243814 /nfs/dbraw/zinc/24/38/14/566243814.db2.gz UGWGRXCBBRKEQE-GFCCVEGCSA-N 0 0 384.376 3.249 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000266135448 566246516 /nfs/dbraw/zinc/24/65/16/566246516.db2.gz BSXJPIOQDLMCNQ-UHFFFAOYSA-N 0 0 388.873 3.138 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2N2CCCCC2)s1 ZINC000183500297 566248228 /nfs/dbraw/zinc/24/82/28/566248228.db2.gz RJMQFMDMZHRDEY-UHFFFAOYSA-N 0 0 381.479 3.125 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000369113888 566249919 /nfs/dbraw/zinc/24/99/19/566249919.db2.gz XGBJNKSWQDPLJV-UHFFFAOYSA-N 0 0 393.241 3.111 10 5 GGBERN COC(=O)CCCCCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555817704 566252695 /nfs/dbraw/zinc/25/26/95/566252695.db2.gz MHEXDASMELFCON-UHFFFAOYSA-N 0 0 387.230 3.129 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Oc3cccc(F)c3)CC2)s1 ZINC000599370616 566256646 /nfs/dbraw/zinc/25/66/46/566256646.db2.gz GIPBYDPPKLMSNV-UHFFFAOYSA-N 0 0 386.426 3.028 10 5 GGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC000599376850 566258260 /nfs/dbraw/zinc/25/82/60/566258260.db2.gz XHZDTDYVQFIATI-IXDOHACOSA-N 0 0 378.837 3.006 10 5 GGBERN COC(=O)c1ccc(Br)cc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000509089777 566260889 /nfs/dbraw/zinc/26/08/89/566260889.db2.gz NVUADMHZNWVYLD-UHFFFAOYSA-N 0 0 380.198 3.266 10 5 GGBERN O=C(c1ccc(NCc2csc([N+](=O)[O-])c2)cc1Cl)N1CCOCC1 ZINC000462230628 566267722 /nfs/dbraw/zinc/26/77/22/566267722.db2.gz HVLZYJDCIHHYSA-UHFFFAOYSA-N 0 0 381.841 3.394 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c1 ZINC000599468275 566268122 /nfs/dbraw/zinc/26/81/22/566268122.db2.gz LGIPDDDKKFODHG-USXIJHARSA-N 0 0 378.837 3.006 10 5 GGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2csc(C(F)(F)F)c2)cc1 ZINC000599502099 566270578 /nfs/dbraw/zinc/27/05/78/566270578.db2.gz RYUHNJBNORVYSC-UHFFFAOYSA-N 0 0 394.396 3.337 10 5 GGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000445159987 566271059 /nfs/dbraw/zinc/27/10/59/566271059.db2.gz OQXNFYADQRXJAU-SECBINFHSA-N 0 0 398.238 3.497 10 5 GGBERN CN([C@H]1CCCC[C@H]1C(F)(F)F)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000462281594 566273755 /nfs/dbraw/zinc/27/37/55/566273755.db2.gz RKBYNPPSRURKBY-KGLIPLIRSA-N 0 0 380.388 3.478 10 5 GGBERN CN([C@H]1CCCC[C@H]1C(F)(F)F)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000462283813 566275049 /nfs/dbraw/zinc/27/50/49/566275049.db2.gz NFWWPSRGNPAWAR-KOLCDFICSA-N 0 0 384.351 3.476 10 5 GGBERN COc1cc(Br)ccc1[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000599573092 566276289 /nfs/dbraw/zinc/27/62/89/566276289.db2.gz MCRRGENXTFWDLF-OAHLLOKOSA-N 0 0 395.257 3.400 10 5 GGBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599583826 566277408 /nfs/dbraw/zinc/27/74/08/566277408.db2.gz XQCYMTLKYLNPAT-SECBINFHSA-N 0 0 395.257 3.069 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(NCc2nnnn2Cc2ccccc2)c1 ZINC000556287740 566281372 /nfs/dbraw/zinc/28/13/72/566281372.db2.gz NURHXNDCEAPAPG-UHFFFAOYSA-N 0 0 389.213 3.004 10 5 GGBERN Cc1ccc2nc(CNc3cc(Br)cc([N+](=O)[O-])c3)cc(=O)n2c1 ZINC000556284998 566281446 /nfs/dbraw/zinc/28/14/46/566281446.db2.gz QRXVFRLRMJSFTK-UHFFFAOYSA-N 0 0 389.209 3.286 10 5 GGBERN O=c1ccc([C@@H]2CCCN2Cc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000599638923 566282687 /nfs/dbraw/zinc/28/26/87/566282687.db2.gz ZVHKTWUJNJKPND-ZDUSSCGKSA-N 0 0 379.214 3.190 10 5 GGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599702815 566287618 /nfs/dbraw/zinc/28/76/18/566287618.db2.gz UAURNOYSVNVFAX-RISCZKNCSA-N 0 0 385.258 3.418 10 5 GGBERN Cc1cc(Br)c(F)c(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000599737559 566291576 /nfs/dbraw/zinc/29/15/76/566291576.db2.gz PFASEWXAZDHNNZ-UHFFFAOYSA-N 0 0 394.200 3.398 10 5 GGBERN CC(C)(C)[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000599745495 566291681 /nfs/dbraw/zinc/29/16/81/566291681.db2.gz CDZTYZHHDRNFCS-GWCFXTLKSA-N 0 0 385.258 3.226 10 5 GGBERN COc1cccc(F)c1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000462388414 566294425 /nfs/dbraw/zinc/29/44/25/566294425.db2.gz BDNPJKVSLHZELX-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN Cc1cncn1C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599776359 566295323 /nfs/dbraw/zinc/29/53/23/566295323.db2.gz RRPUMTJBQYPMCL-UHFFFAOYSA-N 0 0 393.241 3.340 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599784971 566295397 /nfs/dbraw/zinc/29/53/97/566295397.db2.gz HMFOJGPGTZMWQO-BXUZGUMPSA-N 0 0 384.230 3.355 10 5 GGBERN Cc1nc([N+](=O)[O-])c(-c2noc(/C=C\c3ccc(Br)o3)n2)n1C ZINC000445599396 566299230 /nfs/dbraw/zinc/29/92/30/566299230.db2.gz DRGFVUZNCDYZTK-XQRVVYSFSA-N 0 0 380.158 3.213 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCOc2ccccc21 ZINC000462426223 566301116 /nfs/dbraw/zinc/30/11/16/566301116.db2.gz JQFJQOGJKZCNBK-UHFFFAOYSA-N 0 0 389.216 3.489 10 5 GGBERN CN(Cc1ccc(Br)cc1Cl)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000482350668 566302523 /nfs/dbraw/zinc/30/25/23/566302523.db2.gz KNEHLZJOTKWRLV-UHFFFAOYSA-N 0 0 387.621 3.016 10 5 GGBERN O=C(Nc1cnc(CC2CC2)nc1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599914356 566302604 /nfs/dbraw/zinc/30/26/04/566302604.db2.gz HHIAXNRHHRDEDA-UHFFFAOYSA-N 0 0 377.198 3.352 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000535448763 566304738 /nfs/dbraw/zinc/30/47/38/566304738.db2.gz YZUJRLILFGMCAV-UHFFFAOYSA-N 0 0 380.447 3.281 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccnc(-n2cccn2)c1 ZINC000556467974 566305000 /nfs/dbraw/zinc/30/50/00/566305000.db2.gz OKUKJYKVVIXBHG-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CC12CCSCC2 ZINC000420710342 566306580 /nfs/dbraw/zinc/30/65/80/566306580.db2.gz VIBMBUYUQPGHHZ-SNVBAGLBSA-N 0 0 376.887 3.060 10 5 GGBERN COc1cc2c(cc1F)CC[C@@H]2Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000509478856 566309268 /nfs/dbraw/zinc/30/92/68/566309268.db2.gz XCHMNVUGSQCAJD-NSHDSACASA-N 0 0 386.426 3.307 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000462488393 566310350 /nfs/dbraw/zinc/31/03/50/566310350.db2.gz HVEUTSGFEYJFRU-NILFDRSVSA-N 0 0 388.873 3.039 10 5 GGBERN CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCCC2 ZINC000462504922 566314077 /nfs/dbraw/zinc/31/40/77/566314077.db2.gz SYUMNHDKKUSZDR-STQMWFEESA-N 0 0 388.511 3.405 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCOCC12CCCC2 ZINC000535693294 566320962 /nfs/dbraw/zinc/32/09/62/566320962.db2.gz HYVACYZCULNGOZ-UHFFFAOYSA-N 0 0 395.264 3.235 10 5 GGBERN CCc1n[nH]c(C(=O)NCC/C=C/c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000600180133 566320986 /nfs/dbraw/zinc/32/09/86/566320986.db2.gz ZTXBTOUYBPZZOX-HWKANZROSA-N 0 0 393.241 3.476 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000600178912 566321633 /nfs/dbraw/zinc/32/16/33/566321633.db2.gz RVNWIVYBOWPQKC-LLVKDONJSA-N 0 0 376.722 3.287 10 5 GGBERN Cc1nn(C)c(C(=O)NCC/C=C/c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000600178333 566321743 /nfs/dbraw/zinc/32/17/43/566321743.db2.gz OQPFYSDRMLFPJQ-HWKANZROSA-N 0 0 393.241 3.233 10 5 GGBERN COC(=O)[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000446093299 566328905 /nfs/dbraw/zinc/32/89/05/566328905.db2.gz XIXZAEKMMAYITM-NSHDSACASA-N 0 0 399.222 3.063 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nccn1CC(F)(F)F ZINC000446090850 566329323 /nfs/dbraw/zinc/32/93/23/566329323.db2.gz NNEYCMVHPOPVLI-UHFFFAOYSA-N 0 0 376.722 3.245 10 5 GGBERN Cn1cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cn1 ZINC000446121175 566331031 /nfs/dbraw/zinc/33/10/31/566331031.db2.gz IUIHFZULQCZVTM-LLVKDONJSA-N 0 0 377.710 3.407 10 5 GGBERN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600303891 566331129 /nfs/dbraw/zinc/33/11/29/566331129.db2.gz HPDJLVUKCJHTJW-LLVKDONJSA-N 0 0 395.213 3.066 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000482772912 566331243 /nfs/dbraw/zinc/33/12/43/566331243.db2.gz BCYSQEACHGJYIK-CHWSQXEVSA-N 0 0 382.507 3.443 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000482772914 566331523 /nfs/dbraw/zinc/33/15/23/566331523.db2.gz BCYSQEACHGJYIK-QWHCGFSZSA-N 0 0 382.507 3.443 10 5 GGBERN CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000462604470 566331957 /nfs/dbraw/zinc/33/19/57/566331957.db2.gz TTXMWJQFJMNHQC-GFCCVEGCSA-N 0 0 386.861 3.028 10 5 GGBERN CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000462604471 566332255 /nfs/dbraw/zinc/33/22/55/566332255.db2.gz TTXMWJQFJMNHQC-LBPRGKRZSA-N 0 0 386.861 3.028 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000535895065 566334968 /nfs/dbraw/zinc/33/49/68/566334968.db2.gz PFIPEIDJJPDORZ-UHFFFAOYSA-N 0 0 384.797 3.110 10 5 GGBERN O=C(N[C@@H]1CCCSc2ccc(Br)cc21)c1c[nH]nc1[N+](=O)[O-] ZINC000600367901 566335423 /nfs/dbraw/zinc/33/54/23/566335423.db2.gz FUKVSOGCJNPQJJ-LLVKDONJSA-N 0 0 397.254 3.437 10 5 GGBERN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000535890551 566335832 /nfs/dbraw/zinc/33/58/32/566335832.db2.gz AGOGENAUPRDYMR-VIFPVBQESA-N 0 0 382.189 3.252 10 5 GGBERN CC(C)(NC(=O)c1cc[nH]c(=O)c1Br)c1ccc([N+](=O)[O-])cc1 ZINC000446239200 566339036 /nfs/dbraw/zinc/33/90/36/566339036.db2.gz SBOLTKOVWAAHPE-UHFFFAOYSA-N 0 0 380.198 3.123 10 5 GGBERN CC1(C(=O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000600486128 566341528 /nfs/dbraw/zinc/34/15/28/566341528.db2.gz HQVBRYCSTKMNBL-UHFFFAOYSA-N 0 0 383.242 3.165 10 5 GGBERN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000600507706 566342201 /nfs/dbraw/zinc/34/22/01/566342201.db2.gz FLUKTIUSWUTEJT-AWEZNQCLSA-N 0 0 393.241 3.226 10 5 GGBERN CC(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000446322727 566342481 /nfs/dbraw/zinc/34/24/81/566342481.db2.gz RWTILTNHCJWZLL-SNVBAGLBSA-N 0 0 388.205 3.318 10 5 GGBERN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000600521102 566342877 /nfs/dbraw/zinc/34/28/77/566342877.db2.gz MXTCSWNVFITQQU-JGVFFNPUSA-N 0 0 384.152 3.492 10 5 GGBERN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000600508162 566343470 /nfs/dbraw/zinc/34/34/70/566343470.db2.gz IVPAAZYYLUQWFB-ZDUSSCGKSA-N 0 0 393.241 3.377 10 5 GGBERN COC(=O)[C@](C)(NC(=O)c1scc(C)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000600534735 566344661 /nfs/dbraw/zinc/34/46/61/566344661.db2.gz GWCXFYVFFOTKML-MRXNPFEDSA-N 0 0 382.825 3.436 10 5 GGBERN COC(=O)[C@](C)(NC(=O)Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000600531392 566344845 /nfs/dbraw/zinc/34/48/45/566344845.db2.gz BECXBZRINPXPHB-MRXNPFEDSA-N 0 0 382.825 3.057 10 5 GGBERN O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000600529702 566345023 /nfs/dbraw/zinc/34/50/23/566345023.db2.gz XZRRMSIACHIMMN-GHMZBOCLSA-N 0 0 379.356 3.306 10 5 GGBERN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1cccc(Cl)c1 ZINC000462709534 566346446 /nfs/dbraw/zinc/34/64/46/566346446.db2.gz UUVNYGDBILVKHZ-SECBINFHSA-N 0 0 376.843 3.056 10 5 GGBERN O=C(CSCCOc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCC2 ZINC000600572603 566347491 /nfs/dbraw/zinc/34/74/91/566347491.db2.gz ZWUCCERFTILTDA-UHFFFAOYSA-N 0 0 379.463 3.291 10 5 GGBERN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000600593286 566349173 /nfs/dbraw/zinc/34/91/73/566349173.db2.gz VVIOKHKPFURQPA-JQWIXIFHSA-N 0 0 393.241 3.109 10 5 GGBERN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000600590289 566349358 /nfs/dbraw/zinc/34/93/58/566349358.db2.gz ICMMLXNCNGZQAV-GXSJLCMTSA-N 0 0 379.214 3.099 10 5 GGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000462759234 566350156 /nfs/dbraw/zinc/35/01/56/566350156.db2.gz HOIMRXVLMUTWGK-NSHDSACASA-N 0 0 394.225 3.253 10 5 GGBERN Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc(OCCO)c1 ZINC000446571104 566356221 /nfs/dbraw/zinc/35/62/21/566356221.db2.gz BWSZILPOOTWQLZ-UHFFFAOYSA-N 0 0 395.209 3.289 10 5 GGBERN CSCCCN(c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000600667220 566357201 /nfs/dbraw/zinc/35/72/01/566357201.db2.gz COWKAVPNJDYCSO-UHFFFAOYSA-N 0 0 381.479 3.247 10 5 GGBERN CC(C)(C)OC(=O)CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000462853864 566360172 /nfs/dbraw/zinc/36/01/72/566360172.db2.gz QTTQYNXMGXNAEH-UHFFFAOYSA-N 0 0 392.193 3.343 10 5 GGBERN Cn1c(C(=O)N2CCc3cc(F)cc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000600793603 566367215 /nfs/dbraw/zinc/36/72/15/566367215.db2.gz QFUXCJPVHVBNBE-UHFFFAOYSA-N 0 0 382.189 3.033 10 5 GGBERN C[S@@](=O)c1ccc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000557156759 566368485 /nfs/dbraw/zinc/36/84/85/566368485.db2.gz GOOFHEYTAGBMAI-HSZRJFAPSA-N 0 0 397.250 3.276 10 5 GGBERN Cn1c(=O)[nH]c2cc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)ccc21 ZINC000557161116 566368858 /nfs/dbraw/zinc/36/88/58/566368858.db2.gz VIRFKZCDKSGXBC-UHFFFAOYSA-N 0 0 391.181 3.202 10 5 GGBERN CNc1c(C(=O)NCc2cc(F)cc(Br)c2)cccc1[N+](=O)[O-] ZINC000462933139 566368896 /nfs/dbraw/zinc/36/88/96/566368896.db2.gz YSWWHPDHGOHJKS-UHFFFAOYSA-N 0 0 382.189 3.468 10 5 GGBERN CC1(C)[C@H](O)CCN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462923413 566369120 /nfs/dbraw/zinc/36/91/20/566369120.db2.gz DFBUVBCCSFEXJO-GFCCVEGCSA-N 0 0 378.372 3.078 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(-n2cnnc2)cc1 ZINC000557155767 566369288 /nfs/dbraw/zinc/36/92/88/566369288.db2.gz AYEKSPCGDCYMIF-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000557157070 566369437 /nfs/dbraw/zinc/36/94/37/566369437.db2.gz KNWVMQBTPBXIOA-NXEZZACHSA-N 0 0 385.214 3.275 10 5 GGBERN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC000536454870 566374821 /nfs/dbraw/zinc/37/48/21/566374821.db2.gz LNYGTTFLSLSWCI-LLVKDONJSA-N 0 0 391.221 3.287 10 5 GGBERN Cc1c(NC(=O)NC2(CCO)CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000483359707 566376294 /nfs/dbraw/zinc/37/62/94/566376294.db2.gz XXOMDVPNEPFYQM-UHFFFAOYSA-N 0 0 386.246 3.482 10 5 GGBERN CC(C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000447043359 566381499 /nfs/dbraw/zinc/38/14/99/566381499.db2.gz ZANUYXGNELPQQP-JTQLQIEISA-N 0 0 377.260 3.024 10 5 GGBERN Cc1c(Cl)c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1C ZINC000421542396 566382328 /nfs/dbraw/zinc/38/23/28/566382328.db2.gz CWWDKAXYBNKNKT-UHFFFAOYSA-N 0 0 376.722 3.239 10 5 GGBERN Cn1ncc(Br)c1CSCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000601065059 566388301 /nfs/dbraw/zinc/38/83/01/566388301.db2.gz MURBWMBUZMYCOK-UHFFFAOYSA-N 0 0 399.270 3.353 10 5 GGBERN O=[N+]([O-])c1cc(-c2nc(-c3ncsc3Cl)no2)ccc1-n1cncn1 ZINC000463171679 566389547 /nfs/dbraw/zinc/38/95/47/566389547.db2.gz KKWDCGWXEQWSLD-UHFFFAOYSA-N 0 0 375.757 3.002 10 5 GGBERN Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(OCC2CC2)c1 ZINC000447144262 566390270 /nfs/dbraw/zinc/39/02/70/566390270.db2.gz LPIFBSMBMIVIJN-UHFFFAOYSA-N 0 0 382.463 3.232 10 5 GGBERN O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000601082321 566390649 /nfs/dbraw/zinc/39/06/49/566390649.db2.gz GFGWVJZJNICDIB-PHIMTYICSA-N 0 0 379.356 3.306 10 5 GGBERN O=[N+]([O-])c1cccc(F)c1N1CCN(c2ccc(Br)cn2)CC1 ZINC000557491720 566390623 /nfs/dbraw/zinc/39/06/23/566390623.db2.gz IHFYERIIABBEJJ-UHFFFAOYSA-N 0 0 381.205 3.218 10 5 GGBERN COC(=O)c1cc(C)nc(NCc2cc(F)cc(Br)c2)c1[N+](=O)[O-] ZINC000557502104 566390630 /nfs/dbraw/zinc/39/06/30/566390630.db2.gz ODINMTILXBAGQO-UHFFFAOYSA-N 0 0 398.188 3.020 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000447155078 566390780 /nfs/dbraw/zinc/39/07/80/566390780.db2.gz WAOTXDQHLHLFMW-UHFFFAOYSA-N 0 0 384.454 3.384 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000447151856 566390961 /nfs/dbraw/zinc/39/09/61/566390961.db2.gz AVHIGQPRXAXVSG-UHFFFAOYSA-N 0 0 384.454 3.384 10 5 GGBERN C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccc([S@@](C)=O)cc1 ZINC000601135949 566391357 /nfs/dbraw/zinc/39/13/57/566391357.db2.gz UHLSBRYBECCACS-HUVZLPTESA-N 0 0 376.360 3.258 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000447163601 566392088 /nfs/dbraw/zinc/39/20/88/566392088.db2.gz UBJOERFVRVGHGO-NSHDSACASA-N 0 0 391.287 3.332 10 5 GGBERN O=c1[nH]c(NCc2cccc(Br)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000557555274 566395742 /nfs/dbraw/zinc/39/57/42/566395742.db2.gz AUFGKWNGHMCLHQ-UHFFFAOYSA-N 0 0 375.182 3.040 10 5 GGBERN O=c1[nH]c(NCCc2ccccc2Br)nc2ccc([N+](=O)[O-])cc12 ZINC000557546633 566395755 /nfs/dbraw/zinc/39/57/55/566395755.db2.gz VZGZXTKVKBUZKH-UHFFFAOYSA-N 0 0 389.209 3.083 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC(OCCC(C)C)CC2)c([N+](=O)[O-])s1 ZINC000601308605 566399748 /nfs/dbraw/zinc/39/97/48/566399748.db2.gz AKDLUVYVLXRHSX-UHFFFAOYSA-N 0 0 376.500 3.181 10 5 GGBERN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])s1 ZINC000601341287 566400378 /nfs/dbraw/zinc/40/03/78/566400378.db2.gz AFCAZNRWQXIPRD-LLVKDONJSA-N 0 0 387.508 3.428 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000601338601 566400429 /nfs/dbraw/zinc/40/04/29/566400429.db2.gz ZLCLZVVMGRLJTD-AWEZNQCLSA-N 0 0 382.463 3.117 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000557596896 566400715 /nfs/dbraw/zinc/40/07/15/566400715.db2.gz XLDDSEBNPOHYRN-HNNXBMFYSA-N 0 0 384.219 3.459 10 5 GGBERN C[C@H]1C[C@H](COc2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000447305511 566402118 /nfs/dbraw/zinc/40/21/18/566402118.db2.gz MDPZIJLYKKIDMS-VHSXEESVSA-N 0 0 377.178 3.393 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601386134 566402808 /nfs/dbraw/zinc/40/28/08/566402808.db2.gz XDXPDSOSTPXLDP-ZFWWWQNUSA-N 0 0 382.463 3.021 10 5 GGBERN Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c([N+](=O)[O-])s1 ZINC000601370776 566402988 /nfs/dbraw/zinc/40/29/88/566402988.db2.gz WSTCGJTXPHWMGC-JOYOIKCWSA-N 0 0 388.492 3.177 10 5 GGBERN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)C[C@H]2CCC2(F)F)cc1 ZINC000601383336 566403357 /nfs/dbraw/zinc/40/33/57/566403357.db2.gz PIWFRZODBNTFKN-YPMHNXCESA-N 0 0 378.422 3.017 10 5 GGBERN O=[N+]([O-])c1cc(CNS(=O)(=O)C[C@@H]2CCC2(F)F)cc(C(F)(F)F)c1 ZINC000601405323 566404457 /nfs/dbraw/zinc/40/44/57/566404457.db2.gz UFEJBLRREAZEFU-VIFPVBQESA-N 0 0 388.314 3.078 10 5 GGBERN Cc1cc(S(=O)(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c([N+](=O)[O-])s1 ZINC000601393834 566404909 /nfs/dbraw/zinc/40/49/09/566404909.db2.gz LHEQAQSWHFPRSZ-SNVBAGLBSA-N 0 0 378.431 3.234 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000601393245 566405066 /nfs/dbraw/zinc/40/50/66/566405066.db2.gz DNMORMKQBPCSKX-KGLIPLIRSA-N 0 0 382.463 3.163 10 5 GGBERN O=C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C2CC2)C1 ZINC000601443119 566406438 /nfs/dbraw/zinc/40/64/38/566406438.db2.gz OKVRGMMZJLUMRU-LBPRGKRZSA-N 0 0 393.248 3.034 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC(Cc3nccs3)CC2)c([N+](=O)[O-])s1 ZINC000601497049 566409681 /nfs/dbraw/zinc/40/96/81/566409681.db2.gz NXMSNSVIGBVNJX-UHFFFAOYSA-N 0 0 387.508 3.065 10 5 GGBERN Cc1c(NC(=O)[C@H](C)NC(=O)C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000510806650 566413440 /nfs/dbraw/zinc/41/34/40/566413440.db2.gz NFESLFUEIJOOKK-JTQLQIEISA-N 0 0 398.257 3.299 10 5 GGBERN Cc1c(NC(=O)[C@@H](C)NC(=O)C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000510806651 566413773 /nfs/dbraw/zinc/41/37/73/566413773.db2.gz NFESLFUEIJOOKK-SNVBAGLBSA-N 0 0 398.257 3.299 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)c2cc(Br)ccc21 ZINC000577226004 566416649 /nfs/dbraw/zinc/41/66/49/566416649.db2.gz HXCRSJGVHAGAEH-UHFFFAOYSA-N 0 0 391.225 3.157 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N=c2ccn(C3CCSCC3)[nH]2)c1 ZINC000601714689 566420515 /nfs/dbraw/zinc/42/05/15/566420515.db2.gz FBKFDTOHRONXGZ-UHFFFAOYSA-N 0 0 378.479 3.256 10 5 GGBERN CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1C(F)(F)F ZINC000447686360 566421033 /nfs/dbraw/zinc/42/10/33/566421033.db2.gz QCIBGGKEIHLXMX-UHFFFAOYSA-N 0 0 375.328 3.024 10 5 GGBERN C[C@](CO)(NC(=O)[C@H]1SCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000601782647 566423992 /nfs/dbraw/zinc/42/39/92/566423992.db2.gz YZYGXSPHRIMEOJ-DOTOQJQBSA-N 0 0 378.475 3.011 10 5 GGBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000601773806 566424036 /nfs/dbraw/zinc/42/40/36/566424036.db2.gz XVOPPZWFVRSYCH-BMGDILEWSA-N 0 0 387.233 3.354 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCO[C@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000601806546 566425968 /nfs/dbraw/zinc/42/59/68/566425968.db2.gz ZBCGWLXMOJBSPN-LBPRGKRZSA-N 0 0 393.184 3.162 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000537181686 566429058 /nfs/dbraw/zinc/42/90/58/566429058.db2.gz JLLAHHOXPIYDBL-CYBMUJFWSA-N 0 0 382.825 3.440 10 5 GGBERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1c(Br)cccc1[N+](=O)[O-] ZINC000601878046 566429800 /nfs/dbraw/zinc/42/98/00/566429800.db2.gz TXDFZDZWAVQWOT-UKRRQHHQSA-N 0 0 383.242 3.435 10 5 GGBERN C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O ZINC000463798095 566435230 /nfs/dbraw/zinc/43/52/30/566435230.db2.gz ISURGNQJPBGZLF-HNNXBMFYSA-N 0 0 383.788 3.416 10 5 GGBERN CCc1cnc(CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000464142030 566449255 /nfs/dbraw/zinc/44/92/55/566449255.db2.gz ZBMBUAWWMFPUPX-JTQLQIEISA-N 0 0 383.857 3.393 10 5 GGBERN COCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000537590056 566452986 /nfs/dbraw/zinc/45/29/86/566452986.db2.gz LYHDXNYPEBCEJA-UHFFFAOYSA-N 0 0 396.197 3.030 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511333590 566455799 /nfs/dbraw/zinc/45/57/99/566455799.db2.gz LUHCAVDZVXIAHS-CQSZACIVSA-N 0 0 382.825 3.393 10 5 GGBERN Cc1ccsc1[C@H](CO)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537779951 566469497 /nfs/dbraw/zinc/46/94/97/566469497.db2.gz OGPZOFGBNAOCNM-LBPRGKRZSA-N 0 0 384.841 3.237 10 5 GGBERN Cc1nccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1Br ZINC000558425661 566470449 /nfs/dbraw/zinc/47/04/49/566470449.db2.gz WMTRWBYFKJGECY-UHFFFAOYSA-N 0 0 393.241 3.189 10 5 GGBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1c(F)cccc1Br ZINC000537848737 566475168 /nfs/dbraw/zinc/47/51/68/566475168.db2.gz GIPPRVVYNQVZIN-UHFFFAOYSA-N 0 0 394.156 3.361 10 5 GGBERN COc1cc(Cn2c(=O)oc3cc(F)c(Br)cc32)ccc1[N+](=O)[O-] ZINC000558471171 566476776 /nfs/dbraw/zinc/47/67/76/566476776.db2.gz NSNLRBKWWSCKPX-UHFFFAOYSA-N 0 0 397.156 3.461 10 5 GGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nnc2n1CCCCC2 ZINC000485193571 566481112 /nfs/dbraw/zinc/48/11/12/566481112.db2.gz GYXLDJOCTCHAKI-VIFPVBQESA-N 0 0 381.234 3.243 10 5 GGBERN COC[C@@](C)(NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000464504622 566481479 /nfs/dbraw/zinc/48/14/79/566481479.db2.gz KBXBUFOQOJKHON-AMIZOPFISA-N 0 0 384.738 3.099 10 5 GGBERN CSc1ccc(CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000511699840 566483661 /nfs/dbraw/zinc/48/36/61/566483661.db2.gz UZXYXMZGTIOALF-UHFFFAOYSA-N 0 0 381.479 3.179 10 5 GGBERN O=[N+]([O-])c1sc(CN(CCO)C2CCSCC2)cc1Br ZINC000602679357 566487039 /nfs/dbraw/zinc/48/70/39/566487039.db2.gz DSPOLIQRIRCLKW-UHFFFAOYSA-N 0 0 381.317 3.109 10 5 GGBERN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000538041118 566489159 /nfs/dbraw/zinc/48/91/59/566489159.db2.gz VXLXAIOAZFDWHC-BMIGLBTASA-N 0 0 394.225 3.258 10 5 GGBERN CCCCN(C)S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000485395497 566493467 /nfs/dbraw/zinc/49/34/67/566493467.db2.gz FXPOIIHLMLPBOW-UHFFFAOYSA-N 0 0 380.264 3.054 10 5 GGBERN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)Nc4cc(Br)cc([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000485433030 566496721 /nfs/dbraw/zinc/49/67/21/566496721.db2.gz PRBCPTDZTJGFRL-KBZKQINZSA-N 0 0 396.241 3.244 10 5 GGBERN Cc1cc(Br)cc2c1CN(C(=O)c1ccc([N+](=O)[O-])n1C)CC2 ZINC000538244015 566499744 /nfs/dbraw/zinc/49/97/44/566499744.db2.gz ZNPPLCNAAVOGGW-UHFFFAOYSA-N 0 0 378.226 3.203 10 5 GGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2cc(Br)cnc12 ZINC000464711964 566500219 /nfs/dbraw/zinc/50/02/19/566500219.db2.gz NXUUQJPPUGFKNU-UHFFFAOYSA-N 0 0 390.197 3.215 10 5 GGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000464718951 566501931 /nfs/dbraw/zinc/50/19/31/566501931.db2.gz GQOIWKIEYDBZCG-UHFFFAOYSA-N 0 0 380.198 3.202 10 5 GGBERN COc1cc(Br)ccc1CCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000578236618 566505112 /nfs/dbraw/zinc/50/51/12/566505112.db2.gz CTHXJYMFLMBNBC-UHFFFAOYSA-N 0 0 385.189 3.300 10 5 GGBERN Cc1nccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c1Br ZINC000558866200 566512378 /nfs/dbraw/zinc/51/23/78/566512378.db2.gz NYWIYBIBYZOJTA-UHFFFAOYSA-N 0 0 379.214 3.113 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@H]1CC(F)F ZINC000485603803 566512740 /nfs/dbraw/zinc/51/27/40/566512740.db2.gz WPDGJBNAESUVQG-LLVKDONJSA-N 0 0 394.172 3.245 10 5 GGBERN COC(=O)C(C)(C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485608005 566513356 /nfs/dbraw/zinc/51/33/56/566513356.db2.gz RWBPBACZPBLVGD-UHFFFAOYSA-N 0 0 388.218 3.068 10 5 GGBERN Cc1cccc(NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1[N+](=O)[O-] ZINC000558951812 566516334 /nfs/dbraw/zinc/51/63/34/566516334.db2.gz AQHOHDDRMNWJIR-CYBMUJFWSA-N 0 0 381.479 3.087 10 5 GGBERN Cc1c(NC(=O)N2CCOCC3(CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000578420384 566520659 /nfs/dbraw/zinc/52/06/59/566520659.db2.gz FLEPGOSQEYKMDN-UHFFFAOYSA-N 0 0 384.230 3.310 10 5 GGBERN O=C(c1ccc(F)cc1Br)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000538682349 566527217 /nfs/dbraw/zinc/52/72/17/566527217.db2.gz JWSKJKVDHXWNRS-UHFFFAOYSA-N 0 0 380.173 3.090 10 5 GGBERN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000538718110 566529619 /nfs/dbraw/zinc/52/96/19/566529619.db2.gz VWGHMSDQBQAAKQ-ZDUSSCGKSA-N 0 0 380.491 3.190 10 5 GGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000538702355 566529872 /nfs/dbraw/zinc/52/98/72/566529872.db2.gz QRWGHEADSFTNFU-GFCCVEGCSA-N 0 0 399.266 3.499 10 5 GGBERN CSc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000603572216 566534741 /nfs/dbraw/zinc/53/47/41/566534741.db2.gz RGLJQKSNIFNUQL-ZIAGYGMSSA-N 0 0 382.507 3.443 10 5 GGBERN CCc1cccc2c(CCNS(=O)(=O)c3ccc([N+](=O)[O-])s3)c[nH]c21 ZINC000485894223 566536931 /nfs/dbraw/zinc/53/69/31/566536931.db2.gz ARBGHPBFNLGNQK-UHFFFAOYSA-N 0 0 379.463 3.221 10 5 GGBERN COC[C@@](C)(NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000485916593 566538937 /nfs/dbraw/zinc/53/89/37/566538937.db2.gz SPLGFZYUOAANMQ-SECBINFHSA-N 0 0 391.165 3.116 10 5 GGBERN Cc1ccc(OC[C@H](O)COc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000559282584 566539109 /nfs/dbraw/zinc/53/91/09/566539109.db2.gz PKCISRLRPORKCL-ZDUSSCGKSA-N 0 0 382.210 3.484 10 5 GGBERN CC(C)n1ncc2c1C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)CC2 ZINC000578696648 566544959 /nfs/dbraw/zinc/54/49/59/566544959.db2.gz XQSFZLZZQVFXBR-NSHDSACASA-N 0 0 380.246 3.499 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000559577727 566559226 /nfs/dbraw/zinc/55/92/26/566559226.db2.gz OGUSGXSWUOPBHB-AWEZNQCLSA-N 0 0 399.241 3.222 10 5 GGBERN COC(=O)c1cc(C)nc(Sc2nnc(-c3cccs3)o2)c1[N+](=O)[O-] ZINC000559594527 566561053 /nfs/dbraw/zinc/56/10/53/566561053.db2.gz NJMRJGBNVCZAAF-UHFFFAOYSA-N 0 0 378.391 3.348 10 5 GGBERN Cc1ccsc1[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559618137 566562293 /nfs/dbraw/zinc/56/22/93/566562293.db2.gz DWVBYAIAPFQXNR-ZDUSSCGKSA-N 0 0 399.266 3.499 10 5 GGBERN Cc1ccsc1[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559618136 566562640 /nfs/dbraw/zinc/56/26/40/566562640.db2.gz DWVBYAIAPFQXNR-CYBMUJFWSA-N 0 0 399.266 3.499 10 5 GGBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NCCc1ccccc1Br ZINC000559685172 566566711 /nfs/dbraw/zinc/56/67/11/566566711.db2.gz GKLWEFCDKCNVGI-UHFFFAOYSA-N 0 0 392.253 3.442 10 5 GGBERN COC1CCC(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000486190623 566567588 /nfs/dbraw/zinc/56/75/88/566567588.db2.gz JXASYSCJWLEZSA-UHFFFAOYSA-N 0 0 377.260 3.354 10 5 GGBERN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]2COCC[C@@H]21 ZINC000486206638 566568628 /nfs/dbraw/zinc/56/86/28/566568628.db2.gz WLALAZLTOGBPHF-BDAKNGLRSA-N 0 0 375.244 3.060 10 5 GGBERN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]2COCC[C@H]21 ZINC000486206641 566569128 /nfs/dbraw/zinc/56/91/28/566569128.db2.gz WLALAZLTOGBPHF-RKDXNWHRSA-N 0 0 375.244 3.060 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCC2=CCCC2)c1 ZINC000513156704 566585798 /nfs/dbraw/zinc/58/57/98/566585798.db2.gz VTIMYIZRHFYKQY-UHFFFAOYSA-N 0 0 375.244 3.136 10 5 GGBERN CCc1ncc(CNCc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000449611902 566585876 /nfs/dbraw/zinc/58/58/76/566585876.db2.gz ZIEJWOYDTSWGDG-UHFFFAOYSA-N 0 0 387.177 3.040 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(F)(F)F)[C@H](C)C(C)C ZINC000579230178 566591188 /nfs/dbraw/zinc/59/11/88/566591188.db2.gz FRUDOIKKONTZFL-SNVBAGLBSA-N 0 0 384.376 3.201 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CSc4ccc(Br)cc43)nn21 ZINC000486465657 566592070 /nfs/dbraw/zinc/59/20/70/566592070.db2.gz IYSSWOBIRNMCPT-SNVBAGLBSA-N 0 0 392.238 3.081 10 5 GGBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000486487366 566593856 /nfs/dbraw/zinc/59/38/56/566593856.db2.gz JXRNCIUEPBVDKE-SECBINFHSA-N 0 0 395.213 3.037 10 5 GGBERN Cc1cc(C(F)(F)F)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000466744462 566595973 /nfs/dbraw/zinc/59/59/73/566595973.db2.gz FAKVRUUGLVOCLW-UHFFFAOYSA-N 0 0 380.369 3.462 10 5 GGBERN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ncc(Br)cn1 ZINC000486546518 566597396 /nfs/dbraw/zinc/59/73/96/566597396.db2.gz GKPMCNNEYHIVDI-QMMMGPOBSA-N 0 0 391.181 3.385 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC1(CCO)CCC1 ZINC000486582922 566600747 /nfs/dbraw/zinc/60/07/47/566600747.db2.gz FOBPRLZNAPUMDD-UHFFFAOYSA-N 0 0 380.242 3.292 10 5 GGBERN O=C(c1ccc(Br)cc1F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000539780798 566601040 /nfs/dbraw/zinc/60/10/40/566601040.db2.gz ZTCQUNPYUIGDRB-UHFFFAOYSA-N 0 0 380.173 3.090 10 5 GGBERN Cc1noc2ncc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc12 ZINC000560128768 566601783 /nfs/dbraw/zinc/60/17/83/566601783.db2.gz SLVZORLTFFARDL-UHFFFAOYSA-N 0 0 377.154 3.454 10 5 GGBERN O=C(Cc1ccc(F)c(Br)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000539780831 566601981 /nfs/dbraw/zinc/60/19/81/566601981.db2.gz FQVQWJRHPSSVKN-UHFFFAOYSA-N 0 0 394.200 3.019 10 5 GGBERN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000486616374 566603652 /nfs/dbraw/zinc/60/36/52/566603652.db2.gz CFNJEGZJBYPGQM-VIFPVBQESA-N 0 0 397.254 3.117 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425153967 566608477 /nfs/dbraw/zinc/60/84/77/566608477.db2.gz JVPAOMNOLLKQKJ-ILWJIGKKSA-N 0 0 386.189 3.036 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000486684717 566612136 /nfs/dbraw/zinc/61/21/36/566612136.db2.gz SQXWDUJQDKJDHM-VIFPVBQESA-N 0 0 399.213 3.214 10 5 GGBERN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ncc(Br)cn1 ZINC000486681877 566612349 /nfs/dbraw/zinc/61/23/49/566612349.db2.gz GHGHBEMMSBPANP-DTWKUNHWSA-N 0 0 397.204 3.267 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000486684712 566612837 /nfs/dbraw/zinc/61/28/37/566612837.db2.gz SQXWDUJQDKJDHM-SECBINFHSA-N 0 0 399.213 3.214 10 5 GGBERN CS(=O)(=O)c1ccc(C(=O)Nc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000513643644 566614891 /nfs/dbraw/zinc/61/48/91/566614891.db2.gz PYQYFMVLXRFTDI-UHFFFAOYSA-N 0 0 376.415 3.465 10 5 GGBERN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ncc(Br)cn1 ZINC000486751309 566619327 /nfs/dbraw/zinc/61/93/27/566619327.db2.gz XMUZTRGFBZNEAP-QMMMGPOBSA-N 0 0 390.197 3.120 10 5 GGBERN Cc1c(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cnn1C ZINC000560384774 566620196 /nfs/dbraw/zinc/62/01/96/566620196.db2.gz KPDHRMDIIIWAIM-UHFFFAOYSA-N 0 0 382.218 3.063 10 5 GGBERN Cc1c(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cnn1C ZINC000579579122 566620976 /nfs/dbraw/zinc/62/09/76/566620976.db2.gz NQIOLIHJEXDSKB-UHFFFAOYSA-N 0 0 396.245 3.372 10 5 GGBERN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000486756089 566621051 /nfs/dbraw/zinc/62/10/51/566621051.db2.gz BXOPAOYQKNJNIH-JTQLQIEISA-N 0 0 393.241 3.302 10 5 GGBERN CCOC(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)nc1 ZINC000513736479 566621507 /nfs/dbraw/zinc/62/15/07/566621507.db2.gz BYGIRHYLBSIPJE-UHFFFAOYSA-N 0 0 394.181 3.181 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000467077317 566623554 /nfs/dbraw/zinc/62/35/54/566623554.db2.gz BCGLUZLZQJHITN-YNHOBRIKSA-N 0 0 382.463 3.196 10 5 GGBERN Cc1sc(S(=O)(=O)NC[C@@H](C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000467073927 566624275 /nfs/dbraw/zinc/62/42/75/566624275.db2.gz SIXIEQKMAOTJSC-MRVPVSSYSA-N 0 0 376.406 3.325 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc(C(F)(F)F)cs1 ZINC000486857859 566629852 /nfs/dbraw/zinc/62/98/52/566629852.db2.gz KUXVWVTXCVCTJH-RXMQYKEDSA-N 0 0 387.386 3.171 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000560481829 566630449 /nfs/dbraw/zinc/63/04/49/566630449.db2.gz DWLQCVDCBXXWKY-AWEZNQCLSA-N 0 0 377.198 3.125 10 5 GGBERN CN(C1(C)CCCC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000486928152 566635780 /nfs/dbraw/zinc/63/57/80/566635780.db2.gz NCSKDSCRFHREHN-UHFFFAOYSA-N 0 0 377.260 3.311 10 5 GGBERN O=C([C@H]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000425403916 566640475 /nfs/dbraw/zinc/64/04/75/566640475.db2.gz KRTQAZIYLXZSDH-AWEZNQCLSA-N 0 0 396.285 3.192 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000425420334 566641291 /nfs/dbraw/zinc/64/12/91/566641291.db2.gz PASNUNHZQPJJAK-MRXNPFEDSA-N 0 0 398.301 3.044 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000425420333 566641806 /nfs/dbraw/zinc/64/18/06/566641806.db2.gz PASNUNHZQPJJAK-INIZCTEOSA-N 0 0 398.301 3.044 10 5 GGBERN COc1ncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1Br ZINC000425431707 566643855 /nfs/dbraw/zinc/64/38/55/566643855.db2.gz GAJDLHMZBYIWIF-SECBINFHSA-N 0 0 392.209 3.352 10 5 GGBERN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467406076 566644696 /nfs/dbraw/zinc/64/46/96/566644696.db2.gz OVGBRQKUTHFISD-SECBINFHSA-N 0 0 386.451 3.021 10 5 GGBERN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467406207 566645013 /nfs/dbraw/zinc/64/50/13/566645013.db2.gz OVGBRQKUTHFISD-VIFPVBQESA-N 0 0 386.451 3.021 10 5 GGBERN C[C@@](CO)(NCc1ccc(Br)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000425455038 566645057 /nfs/dbraw/zinc/64/50/57/566645057.db2.gz FVMRQQKYUHGHQL-INIZCTEOSA-N 0 0 381.226 3.060 10 5 GGBERN C/C=C/C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)OCC ZINC000560629124 566645768 /nfs/dbraw/zinc/64/57/68/566645768.db2.gz JLYKOZNHBWRGBY-YVZNUBBCSA-N 0 0 399.241 3.293 10 5 GGBERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448228 566645614 /nfs/dbraw/zinc/64/56/14/566645614.db2.gz RBEIPZUHSOEJHU-XEGUGMAKSA-N 0 0 383.242 3.131 10 5 GGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)c1ccc(Br)cc1 ZINC000579870937 566646026 /nfs/dbraw/zinc/64/60/26/566646026.db2.gz PLYJSEFVBODIQH-UHFFFAOYSA-N 0 0 391.221 3.241 10 5 GGBERN Cc1nc([C@](C)(NCc2ccc(Br)cc2[N+](=O)[O-])C2CC2)no1 ZINC000425466041 566646801 /nfs/dbraw/zinc/64/68/01/566646801.db2.gz AVBPWSMPCOGNRH-OAHLLOKOSA-N 0 0 381.230 3.464 10 5 GGBERN Cc1nc([C@@](C)(NCc2ccc(Br)cc2[N+](=O)[O-])C2CC2)no1 ZINC000425466033 566647099 /nfs/dbraw/zinc/64/70/99/566647099.db2.gz AVBPWSMPCOGNRH-HNNXBMFYSA-N 0 0 381.230 3.464 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCc1noc(C2CC2)n1 ZINC000487210240 566655616 /nfs/dbraw/zinc/65/56/16/566655616.db2.gz UKTZXRXGRGUBDO-UHFFFAOYSA-N 0 0 390.197 3.200 10 5 GGBERN Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)sc1C ZINC000540513677 566656218 /nfs/dbraw/zinc/65/62/18/566656218.db2.gz LYVVYIDINJLABK-UHFFFAOYSA-N 0 0 376.423 3.190 10 5 GGBERN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000560788208 566658338 /nfs/dbraw/zinc/65/83/38/566658338.db2.gz BGTZCZKEQZQCHB-ZETCQYMHSA-N 0 0 385.605 3.292 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(F)cc2n[nH]nc21 ZINC000560798314 566660203 /nfs/dbraw/zinc/66/02/03/566660203.db2.gz WGFMLRWGMXSNSC-UHFFFAOYSA-N 0 0 380.133 3.020 10 5 GGBERN CS(=O)(=O)c1ccc(N2CC(Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000467789724 566668088 /nfs/dbraw/zinc/66/80/88/566668088.db2.gz NUYCSZBWZFKSOW-UHFFFAOYSA-N 0 0 380.853 3.331 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000540739771 566670412 /nfs/dbraw/zinc/67/04/12/566670412.db2.gz OFVSEPJJQCCEJY-QWHCGFSZSA-N 0 0 390.889 3.429 10 5 GGBERN COC(=O)Cc1ccc(Sc2nnc(C(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC000450468013 566675072 /nfs/dbraw/zinc/67/50/72/566675072.db2.gz FKLODBSDUSUJMU-UHFFFAOYSA-N 0 0 379.341 3.332 10 5 GGBERN O=C(c1cc2cc(Cl)sc2[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487518633 566677017 /nfs/dbraw/zinc/67/70/17/566677017.db2.gz MNVJZMNJNQLBEP-UHFFFAOYSA-N 0 0 379.829 3.465 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(NCCCC(C)(F)F)c([N+](=O)[O-])c1 ZINC000450555596 566684539 /nfs/dbraw/zinc/68/45/39/566684539.db2.gz LXKDHQNDEWIQPB-UHFFFAOYSA-N 0 0 379.429 3.473 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(F)cc(Br)c1F ZINC000468225651 566691642 /nfs/dbraw/zinc/69/16/42/566691642.db2.gz UNFAXKNSBAXOQP-UHFFFAOYSA-N 0 0 389.156 3.169 10 5 GGBERN Cc1cc(N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(Br)cc1[N+](=O)[O-] ZINC000450644763 566693497 /nfs/dbraw/zinc/69/34/97/566693497.db2.gz DRXVGEIAEMMMQM-ZOWXZIJZSA-N 0 0 385.258 3.032 10 5 GGBERN Cc1cc(N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(Br)cc1[N+](=O)[O-] ZINC000450644760 566693508 /nfs/dbraw/zinc/69/35/08/566693508.db2.gz DRXVGEIAEMMMQM-JMSVASOKSA-N 0 0 385.258 3.032 10 5 GGBERN Cc1sc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000515338432 566705387 /nfs/dbraw/zinc/70/53/87/566705387.db2.gz YGMMPEZGNNLJNI-QMMMGPOBSA-N 0 0 387.386 3.003 10 5 GGBERN O=C(CSc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000541296944 566712369 /nfs/dbraw/zinc/71/23/69/566712369.db2.gz TZXCLTWPVMDOJN-KBPBESRZSA-N 0 0 382.507 3.200 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1N1CCC[C@@]2(CCOC2)C1 ZINC000450875717 566716116 /nfs/dbraw/zinc/71/61/16/566716116.db2.gz FJFVPRVGXYZROB-CQSZACIVSA-N 0 0 388.205 3.206 10 5 GGBERN O=C(C[C@@H](O)Cc1ccccc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000488348219 566721328 /nfs/dbraw/zinc/72/13/28/566721328.db2.gz CKPGFSCXEDTUSR-HNNXBMFYSA-N 0 0 379.210 3.290 10 5 GGBERN CN(c1ncc([N+](=O)[O-])cc1Br)C1CCN(CC(F)(F)F)CC1 ZINC000450929404 566721369 /nfs/dbraw/zinc/72/13/69/566721369.db2.gz CKSFPBTZRISYFS-UHFFFAOYSA-N 0 0 397.195 3.215 10 5 GGBERN Cc1c(NC(=O)N2CCC(CCO)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000580811757 566725043 /nfs/dbraw/zinc/72/50/43/566725043.db2.gz AKMXEGAZTWLXSA-UHFFFAOYSA-N 0 0 386.246 3.292 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426748737 566727061 /nfs/dbraw/zinc/72/70/61/566727061.db2.gz ZRNJLLCMHXUCAT-MRXNPFEDSA-N 0 0 393.237 3.451 10 5 GGBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cc(F)cc(Br)c1 ZINC000515730467 566730830 /nfs/dbraw/zinc/73/08/30/566730830.db2.gz DSJQEFFNZYEHES-UHFFFAOYSA-N 0 0 383.173 3.192 10 5 GGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(Br)cc1 ZINC000561712649 566732963 /nfs/dbraw/zinc/73/29/63/566732963.db2.gz KSARBNUYYXJJFZ-UHFFFAOYSA-N 0 0 385.164 3.494 10 5 GGBERN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCOC[C@@H]1CC1CCC1 ZINC000561718571 566732999 /nfs/dbraw/zinc/73/29/99/566732999.db2.gz JRRIXWMHGFTQEI-JTQLQIEISA-N 0 0 389.271 3.450 10 5 GGBERN CCN(CC)C(=O)C1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000541578172 566734964 /nfs/dbraw/zinc/73/49/64/566734964.db2.gz KHJSBWUEOAAWLM-UHFFFAOYSA-N 0 0 399.289 3.146 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1occc1Br ZINC000561769698 566737609 /nfs/dbraw/zinc/73/76/09/566737609.db2.gz BNNGGACLOXQCDH-UHFFFAOYSA-N 0 0 378.182 3.404 10 5 GGBERN C[C@H]1N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000541644635 566739625 /nfs/dbraw/zinc/73/96/25/566739625.db2.gz PMHYPPNJQAFCLF-LLVKDONJSA-N 0 0 383.242 3.389 10 5 GGBERN NS(=O)(=O)c1cc(N[C@H]2CCCc3sc(Cl)cc32)cc([N+](=O)[O-])c1 ZINC000488712438 566742781 /nfs/dbraw/zinc/74/27/81/566742781.db2.gz AOBGAWIAKMXAFR-LBPRGKRZSA-N 0 0 387.870 3.447 10 5 GGBERN NS(=O)(=O)c1cc(N[C@@H]2CCCc3sc(Cl)cc32)cc([N+](=O)[O-])c1 ZINC000488712424 566742980 /nfs/dbraw/zinc/74/29/80/566742980.db2.gz AOBGAWIAKMXAFR-GFCCVEGCSA-N 0 0 387.870 3.447 10 5 GGBERN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCc2sc(Cl)cc21 ZINC000488724785 566744798 /nfs/dbraw/zinc/74/47/98/566744798.db2.gz SUDFGULQKBGTEE-JTQLQIEISA-N 0 0 387.870 3.447 10 5 GGBERN C[C@H]1COCC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000561891248 566746157 /nfs/dbraw/zinc/74/61/57/566746157.db2.gz CCAUYTFIHZPXEU-JOYOIKCWSA-N 0 0 382.214 3.471 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000488763990 566746336 /nfs/dbraw/zinc/74/63/36/566746336.db2.gz JJARDIKOMSJRPY-CYBMUJFWSA-N 0 0 378.841 3.113 10 5 GGBERN COCCN(Cc1scnc1C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000488819272 566750836 /nfs/dbraw/zinc/75/08/36/566750836.db2.gz QUKOIXUYAAKBGB-UHFFFAOYSA-N 0 0 381.479 3.127 10 5 GGBERN COc1cccc(C(=O)COc2c(C)cc(Br)cc2[N+](=O)[O-])n1 ZINC000562038278 566758814 /nfs/dbraw/zinc/75/88/14/566758814.db2.gz IYWQCACVFQINFM-UHFFFAOYSA-N 0 0 381.182 3.331 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(c2ccc(Br)cn2)C(C)C)n1 ZINC000427256119 566761416 /nfs/dbraw/zinc/76/14/16/566761416.db2.gz IDMSIUJCTLPMAE-UHFFFAOYSA-N 0 0 382.218 3.024 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCC2CCCC2)c1 ZINC000609418097 566763350 /nfs/dbraw/zinc/76/33/50/566763350.db2.gz NIYLATWRIGFCRZ-UHFFFAOYSA-N 0 0 377.260 3.216 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCc2ccc(Cl)o2)c1 ZINC000609417920 566763762 /nfs/dbraw/zinc/76/37/62/566763762.db2.gz IUYMBXTXMAZFNU-UHFFFAOYSA-N 0 0 395.618 3.082 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC2CCCCC2)c1 ZINC000609420350 566763914 /nfs/dbraw/zinc/76/39/14/566763914.db2.gz BYBCQRLAJOZKCI-UHFFFAOYSA-N 0 0 377.260 3.216 10 5 GGBERN CCc1n[nH]c(C(=O)N[C@@H]2CCc3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000609476758 566765322 /nfs/dbraw/zinc/76/53/22/566765322.db2.gz IZPBEEBKOWFOKD-GFCCVEGCSA-N 0 0 379.214 3.060 10 5 GGBERN COc1cc(CN[C@@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000541982380 566765696 /nfs/dbraw/zinc/76/56/96/566765696.db2.gz DVZFIAUKENMYNL-AWEZNQCLSA-N 0 0 381.226 3.189 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H](CO)c3ccc(Br)cc3)nc2c1 ZINC000489023734 566765581 /nfs/dbraw/zinc/76/55/81/566765581.db2.gz JBXBIMQGSGSJTG-CQSZACIVSA-N 0 0 377.198 3.379 10 5 GGBERN Cc1cc(Br)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609542629 566769691 /nfs/dbraw/zinc/76/96/91/566769691.db2.gz PTGVKIPSEJTCTD-UHFFFAOYSA-N 0 0 391.268 3.206 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)n1 ZINC000427381708 566770666 /nfs/dbraw/zinc/77/06/66/566770666.db2.gz AJSBFVPYYMRASP-SNVBAGLBSA-N 0 0 393.241 3.161 10 5 GGBERN Cc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(C)c1O ZINC000469222752 566773415 /nfs/dbraw/zinc/77/34/15/566773415.db2.gz XSHHVBIVQHMXAF-UHFFFAOYSA-N 0 0 384.841 3.092 10 5 GGBERN Cn1cnc2cccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)c21 ZINC000581445374 566777970 /nfs/dbraw/zinc/77/79/70/566777970.db2.gz YSTUHLDSZVUKTC-UHFFFAOYSA-N 0 0 375.182 3.496 10 5 GGBERN Cc1cccc(C(=O)N(CCO)Cc2cc(Br)cs2)c1[N+](=O)[O-] ZINC000427550654 566779042 /nfs/dbraw/zinc/77/90/42/566779042.db2.gz SKGWUMYPEURGGZ-UHFFFAOYSA-N 0 0 399.266 3.362 10 5 GGBERN O=C(c1ccccc1[N+](=O)[O-])N(CCO)Cc1cc(Br)cs1 ZINC000427549290 566779053 /nfs/dbraw/zinc/77/90/53/566779053.db2.gz IDHCJOHURDDJEZ-UHFFFAOYSA-N 0 0 385.239 3.054 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCc3ccccc3CC2)cc1[N+](=O)[O-] ZINC000609708273 566781599 /nfs/dbraw/zinc/78/15/99/566781599.db2.gz ZVYSTVMUTMHTRX-UHFFFAOYSA-N 0 0 380.853 3.346 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000609783926 566784581 /nfs/dbraw/zinc/78/45/81/566784581.db2.gz MIBOOYITNKNNJF-GJZGRUSLSA-N 0 0 384.885 3.304 10 5 GGBERN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)[C@H](C)O1 ZINC000581517217 566785230 /nfs/dbraw/zinc/78/52/30/566785230.db2.gz TWAMTLVRVTZGOS-VWYCJHECSA-N 0 0 390.221 3.197 10 5 GGBERN COc1ncccc1CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000516822363 566785515 /nfs/dbraw/zinc/78/55/15/566785515.db2.gz QGPFVQSQZJKXLB-UHFFFAOYSA-N 0 0 394.225 3.042 10 5 GGBERN COc1ccc(C2(CNS(=O)(=O)c3ccc([N+](=O)[O-])s3)CCC2)cc1 ZINC000542253027 566788343 /nfs/dbraw/zinc/78/83/43/566788343.db2.gz DOGOPXUSSVVCSC-UHFFFAOYSA-N 0 0 382.463 3.065 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@H]1CC1CCC1 ZINC000516889457 566790022 /nfs/dbraw/zinc/79/00/22/566790022.db2.gz JEOYUYPMAUSOKR-CYBMUJFWSA-N 0 0 383.242 3.389 10 5 GGBERN COc1ccc(CSCC(=O)Nc2ncc(C(C)=O)s2)cc1[N+](=O)[O-] ZINC000609836111 566790105 /nfs/dbraw/zinc/79/01/05/566790105.db2.gz LRZDMNQQZSSMBD-UHFFFAOYSA-N 0 0 381.435 3.134 10 5 GGBERN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC[C@H]1CCOC1 ZINC000542300440 566792057 /nfs/dbraw/zinc/79/20/57/566792057.db2.gz UTZAFIPKTRJHQU-JTQLQIEISA-N 0 0 378.372 3.249 10 5 GGBERN Cc1nc2ccc(S(=O)(=O)NCCc3ccccc3[N+](=O)[O-])cc2s1 ZINC000489577811 566795974 /nfs/dbraw/zinc/79/59/74/566795974.db2.gz AVHBOYXIZGOOKX-UHFFFAOYSA-N 0 0 377.447 3.034 10 5 GGBERN COCCN(Cc1ccc(Br)s1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000427802268 566799749 /nfs/dbraw/zinc/79/97/49/566799749.db2.gz CZQDDWWFFDUSBS-UHFFFAOYSA-N 0 0 388.243 3.036 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CSc3ccc(Br)cc32)n1 ZINC000489659609 566801143 /nfs/dbraw/zinc/80/11/43/566801143.db2.gz MBTYBBQWDQYVCD-JTQLQIEISA-N 0 0 397.254 3.151 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451380414 566808376 /nfs/dbraw/zinc/80/83/76/566808376.db2.gz XNCLVCZUPKXNRV-NSHDSACASA-N 0 0 382.816 3.146 10 5 GGBERN CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1(C)C ZINC000610136388 566810592 /nfs/dbraw/zinc/81/05/92/566810592.db2.gz LROXFAAYMBGQDY-GJZGRUSLSA-N 0 0 390.889 3.381 10 5 GGBERN CCCN([C@@H]1C[C@H](OCC)C1(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000610137147 566810900 /nfs/dbraw/zinc/81/09/00/566810900.db2.gz ZGJOQENIYWSJDI-NEPJUHHUSA-N 0 0 376.500 3.261 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000517229597 566814038 /nfs/dbraw/zinc/81/40/38/566814038.db2.gz SPPSDMOHRRZCHU-LBPRGKRZSA-N 0 0 383.242 3.185 10 5 GGBERN COC1CCC(CCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000542759533 566825720 /nfs/dbraw/zinc/82/57/20/566825720.db2.gz ARWVQSGITGLZGO-UHFFFAOYSA-N 0 0 390.889 3.430 10 5 GGBERN CO[C@H](CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000469947088 566831034 /nfs/dbraw/zinc/83/10/34/566831034.db2.gz HVNPJSZVSXMIJM-GFCCVEGCSA-N 0 0 384.738 3.101 10 5 GGBERN Cc1ccc(C(=O)Nc2cc(I)ccc2O)cc1[N+](=O)[O-] ZINC000610485927 566834320 /nfs/dbraw/zinc/83/43/20/566834320.db2.gz INSGDOYXICUEOB-UHFFFAOYSA-N 0 0 398.156 3.466 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCSc1ccccc1 ZINC000610502438 566838110 /nfs/dbraw/zinc/83/81/10/566838110.db2.gz BKOBHNLBFSTKJM-UHFFFAOYSA-N 0 0 382.463 3.064 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2c[nH]c3cc(Cl)ccc23)s1 ZINC000610512848 566839653 /nfs/dbraw/zinc/83/96/53/566839653.db2.gz RDHBPSKAEFTNCH-UHFFFAOYSA-N 0 0 385.854 3.312 10 5 GGBERN CC[C@@H](Cc1ccccc1Br)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000470059533 566841739 /nfs/dbraw/zinc/84/17/39/566841739.db2.gz WYTWHJYYYYUQNF-NSHDSACASA-N 0 0 393.241 3.284 10 5 GGBERN CC(=O)N[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)(C)C ZINC000451594293 566847112 /nfs/dbraw/zinc/84/71/12/566847112.db2.gz DKFFZHVUTNOXCB-CYBMUJFWSA-N 0 0 386.246 3.155 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000451605204 566848958 /nfs/dbraw/zinc/84/89/58/566848958.db2.gz CUCPTNNKKFHEKK-UHFFFAOYSA-N 0 0 376.862 3.042 10 5 GGBERN Cc1c(NC(=O)c2cc3n(n2)CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000451614750 566850129 /nfs/dbraw/zinc/85/01/29/566850129.db2.gz OTTOPTUHHCWQDK-UHFFFAOYSA-N 0 0 379.214 3.451 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000451646812 566855443 /nfs/dbraw/zinc/85/54/43/566855443.db2.gz KIKWOFVZTLOFKH-UHFFFAOYSA-N 0 0 384.816 3.275 10 5 GGBERN CO[C@@H](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000470333359 566865050 /nfs/dbraw/zinc/86/50/50/566865050.db2.gz HGAQXBHZZIBMSV-NSHDSACASA-N 0 0 386.779 3.424 10 5 GGBERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543291452 566869274 /nfs/dbraw/zinc/86/92/74/566869274.db2.gz HEJHWSXPXLQQQH-LBPRGKRZSA-N 0 0 386.857 3.283 10 5 GGBERN COc1cc(NCc2ccc(S(C)(=O)=O)c(Cl)c2)c([N+](=O)[O-])cc1F ZINC000428691681 566871364 /nfs/dbraw/zinc/87/13/64/566871364.db2.gz NJCGQGYJWZGYLK-UHFFFAOYSA-N 0 0 388.804 3.412 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Cl)o2)c(C(F)(F)F)c1 ZINC000610955556 566877657 /nfs/dbraw/zinc/87/76/57/566877657.db2.gz JTVXXFANNDPKCX-UHFFFAOYSA-N 0 0 384.719 3.339 10 5 GGBERN Cc1c(Br)c(N2CCO[C@@H](c3cccc(O)c3)C2)ncc1[N+](=O)[O-] ZINC000543436738 566881684 /nfs/dbraw/zinc/88/16/84/566881684.db2.gz QEOCLTVJNWNDNO-CQSZACIVSA-N 0 0 394.225 3.344 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000543455541 566883743 /nfs/dbraw/zinc/88/37/43/566883743.db2.gz WCPTVUPYSNBFOS-UHFFFAOYSA-N 0 0 380.198 3.100 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000451797887 566884789 /nfs/dbraw/zinc/88/47/89/566884789.db2.gz AHAJGHVRPOOUKC-GFCCVEGCSA-N 0 0 388.873 3.184 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCS[C@H](c3ccccc3)C2)c1 ZINC000611033034 566885674 /nfs/dbraw/zinc/88/56/74/566885674.db2.gz YNUVNGLNCCFMGZ-KRWDZBQOSA-N 0 0 378.475 3.215 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(CCOc1ccccc1Br)CC2 ZINC000543478735 566886191 /nfs/dbraw/zinc/88/61/91/566886191.db2.gz JCXFMDHBPRTONE-UHFFFAOYSA-N 0 0 378.226 3.189 10 5 GGBERN Cc1c(Br)c(N2CC[C@H](c3nc(C4CC4)no3)C2)ncc1[N+](=O)[O-] ZINC000491061075 566892279 /nfs/dbraw/zinc/89/22/79/566892279.db2.gz MFXHBJRXYXWLDN-JTQLQIEISA-N 0 0 394.229 3.315 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(I)ccc1O ZINC000611156883 566895491 /nfs/dbraw/zinc/89/54/91/566895491.db2.gz SMABZJJTPCHJIC-UHFFFAOYSA-N 0 0 398.156 3.086 10 5 GGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000543676006 566900338 /nfs/dbraw/zinc/90/03/38/566900338.db2.gz ZMZKMCXUWVMPDW-OAHLLOKOSA-N 0 0 382.463 3.035 10 5 GGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(CC(F)(F)F)C1 ZINC000611212546 566900657 /nfs/dbraw/zinc/90/06/57/566900657.db2.gz KDOOHCKFUVOLAG-UHFFFAOYSA-N 0 0 378.372 3.358 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3cccnc3)CC2)c(Cl)c1 ZINC000611257265 566904282 /nfs/dbraw/zinc/90/42/82/566904282.db2.gz KBASGHQZJLKSIY-UHFFFAOYSA-N 0 0 381.841 3.212 10 5 GGBERN Cc1nn(C)c(C)c1[C@@H]1COCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000611306308 566909675 /nfs/dbraw/zinc/90/96/75/566909675.db2.gz HNRLQKKCPLREHL-HNNXBMFYSA-N 0 0 395.257 3.286 10 5 GGBERN CC[C@@H](NCc1ccc(S(=O)(=O)N(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000611335498 566910632 /nfs/dbraw/zinc/91/06/32/566910632.db2.gz NHLRRXULIHMBPW-OAHLLOKOSA-N 0 0 383.495 3.148 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1 ZINC000451929937 566911714 /nfs/dbraw/zinc/91/17/14/566911714.db2.gz PCSYGNKYVZGICN-UHFFFAOYSA-N 0 0 382.825 3.045 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)CC(=O)Nc2ccccc2Br)n1 ZINC000543790888 566911888 /nfs/dbraw/zinc/91/18/88/566911888.db2.gz ANAUVVVJCJBQOK-UHFFFAOYSA-N 0 0 393.241 3.444 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cnc1N(CCO)Cc1cc(Br)cs1 ZINC000491613191 566912823 /nfs/dbraw/zinc/91/28/23/566912823.db2.gz PADSIJMVABYFKG-UHFFFAOYSA-N 0 0 392.662 3.466 10 5 GGBERN O=[N+]([O-])c1ccsc1NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000611414780 566915980 /nfs/dbraw/zinc/91/59/80/566915980.db2.gz YNOBRTWKWHAFLK-UHFFFAOYSA-N 0 0 381.479 3.194 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000611496861 566922604 /nfs/dbraw/zinc/92/26/04/566922604.db2.gz BAGQQJVFNSXFJZ-PRHODGIISA-N 0 0 395.250 3.034 10 5 GGBERN C[C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611506836 566923725 /nfs/dbraw/zinc/92/37/25/566923725.db2.gz RYPVWWZRHDPUHS-UFBFGSQYSA-N 0 0 392.168 3.020 10 5 GGBERN CN(CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000611506653 566923841 /nfs/dbraw/zinc/92/38/41/566923841.db2.gz MPDVFLZJQKJYMW-UHFFFAOYSA-N 0 0 383.235 3.092 10 5 GGBERN C[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@H]1F ZINC000611506834 566923979 /nfs/dbraw/zinc/92/39/79/566923979.db2.gz RYPVWWZRHDPUHS-PRHODGIISA-N 0 0 392.168 3.020 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@]2(CCOC2)C1 ZINC000452023452 566925118 /nfs/dbraw/zinc/92/51/18/566925118.db2.gz XNLLDNGDXOEJCU-AWEZNQCLSA-N 0 0 395.264 3.093 10 5 GGBERN O=[N+]([O-])c1cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cs1 ZINC000492223870 566928214 /nfs/dbraw/zinc/92/82/14/566928214.db2.gz IATQCWOQXQINNO-LBPRGKRZSA-N 0 0 375.219 3.381 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](OC(F)F)C1 ZINC000611573793 566928338 /nfs/dbraw/zinc/92/83/38/566928338.db2.gz XSTRBSAPFDHQOK-NSHDSACASA-N 0 0 379.157 3.201 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](OC(F)F)C1 ZINC000611573446 566929056 /nfs/dbraw/zinc/92/90/56/566929056.db2.gz MJJFVGNVPSSJJO-LLVKDONJSA-N 0 0 393.184 3.130 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000611585007 566929593 /nfs/dbraw/zinc/92/95/93/566929593.db2.gz AWBVMHISRPUYHQ-SECBINFHSA-N 0 0 379.157 3.201 10 5 GGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000611586097 566930139 /nfs/dbraw/zinc/93/01/39/566930139.db2.gz MCBZIZYTGXYBDJ-ONGXEEELSA-N 0 0 378.759 3.246 10 5 GGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](OC(F)F)C1 ZINC000611580594 566930496 /nfs/dbraw/zinc/93/04/96/566930496.db2.gz YDWZLZXXFRHPDT-KOLCDFICSA-N 0 0 377.775 3.279 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccc(Br)cn3)CC2)n1 ZINC000611616107 566932391 /nfs/dbraw/zinc/93/23/91/566932391.db2.gz YPESFJOHLIQMRH-UHFFFAOYSA-N 0 0 392.257 3.091 10 5 GGBERN CCOC(=O)Cc1csc(Sc2ncnc3ccc([N+](=O)[O-])cc32)n1 ZINC000611700752 566933795 /nfs/dbraw/zinc/93/37/95/566933795.db2.gz VDYDYFTZQRAUED-UHFFFAOYSA-N 0 0 376.419 3.251 10 5 GGBERN O=c1c2cc(Br)c(F)cc2ncn1Cc1csc([N+](=O)[O-])c1 ZINC000544079843 566935884 /nfs/dbraw/zinc/93/58/84/566935884.db2.gz VUPAWHIDDRFUMU-UHFFFAOYSA-N 0 0 384.186 3.316 10 5 GGBERN Cc1c(Br)c(=O)n(Cc2nc3cc(F)ccc3o2)cc1[N+](=O)[O-] ZINC000544078270 566936352 /nfs/dbraw/zinc/93/63/52/566936352.db2.gz NODCQPKSFTVZIZ-UHFFFAOYSA-N 0 0 382.145 3.156 10 5 GGBERN COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000544102735 566938657 /nfs/dbraw/zinc/93/86/57/566938657.db2.gz MNVCBLSLHYGZEH-FZMZJTMJSA-N 0 0 382.463 3.437 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000544100564 566939144 /nfs/dbraw/zinc/93/91/44/566939144.db2.gz KWKOBMHWLXRFJN-JQWIXIFHSA-N 0 0 376.862 3.040 10 5 GGBERN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(F)(F)F ZINC000429605272 566941062 /nfs/dbraw/zinc/94/10/62/566941062.db2.gz PLSMHBVBGWNQNH-GFCCVEGCSA-N 0 0 376.360 3.348 10 5 GGBERN Cn1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nn1 ZINC000611930469 566944302 /nfs/dbraw/zinc/94/43/02/566944302.db2.gz JDVAMBKHLRPGDA-UHFFFAOYSA-N 0 0 392.213 3.036 10 5 GGBERN Cc1c(NCc2cc(=O)n3ccccc3n2)cc(Br)cc1[N+](=O)[O-] ZINC000429807184 566951085 /nfs/dbraw/zinc/95/10/85/566951085.db2.gz XSIAXZOPXOUMBK-UHFFFAOYSA-N 0 0 389.209 3.286 10 5 GGBERN Cc1c(NCC(=O)N(C)Cc2ccco2)cc(Br)cc1[N+](=O)[O-] ZINC000429793848 566951112 /nfs/dbraw/zinc/95/11/12/566951112.db2.gz GHMPXMIBSYJGMW-UHFFFAOYSA-N 0 0 382.214 3.329 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCC1CCOCC1 ZINC000452211785 566952239 /nfs/dbraw/zinc/95/22/39/566952239.db2.gz YZQNZSBMYYVYTM-UHFFFAOYSA-N 0 0 385.258 3.223 10 5 GGBERN COc1ncccc1-c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000544326292 566953382 /nfs/dbraw/zinc/95/33/82/566953382.db2.gz DUNFTGRTOHYGLW-UHFFFAOYSA-N 0 0 377.154 3.478 10 5 GGBERN O=[N+]([O-])c1ncccc1Oc1ncnc2cccc(I)c21 ZINC000544352613 566956510 /nfs/dbraw/zinc/95/65/10/566956510.db2.gz ICGXFLLCLVLVDA-UHFFFAOYSA-N 0 0 394.128 3.330 10 5 GGBERN Cc1nc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)sc1Br ZINC000452399508 566976433 /nfs/dbraw/zinc/97/64/33/566976433.db2.gz QAQDHXUPJYPXGN-UHFFFAOYSA-N 0 0 384.255 3.371 10 5 GGBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000544714645 566985348 /nfs/dbraw/zinc/98/53/48/566985348.db2.gz LMEHVCVZFRJTSR-SNVBAGLBSA-N 0 0 389.216 3.314 10 5 GGBERN C[C@@H](C(=O)N[C@@H](CO)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000520321188 566998158 /nfs/dbraw/zinc/99/81/58/566998158.db2.gz LDDWVLHEQKRNTB-BZNIZROVSA-N 0 0 393.237 3.311 10 5 GGBERN Cn1c(=O)[nH]c2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc21 ZINC000564744645 567004316 /nfs/dbraw/zinc/00/43/16/567004316.db2.gz QVBLJUFZSOACQN-UHFFFAOYSA-N 0 0 391.181 3.202 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 ZINC000520548917 567011955 /nfs/dbraw/zinc/01/19/55/567011955.db2.gz JNPTWLLFQUGKKV-VIFPVBQESA-N 0 0 384.797 3.016 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(F)cc(Br)c1 ZINC000494666668 567015607 /nfs/dbraw/zinc/01/56/07/567015607.db2.gz LWGDMOOGZUUVRK-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(Cl)cc1F ZINC000472300352 567017812 /nfs/dbraw/zinc/01/78/12/567017812.db2.gz QODFRFPPXNHOGW-UHFFFAOYSA-N 0 0 384.816 3.443 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000452841047 567021863 /nfs/dbraw/zinc/02/18/63/567021863.db2.gz CNNNYZYAPQUTJL-GFCCVEGCSA-N 0 0 393.241 3.203 10 5 GGBERN COC[C@@](C)(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000430618533 567024641 /nfs/dbraw/zinc/02/46/41/567024641.db2.gz VDKOLVHAWUVNOR-LLVKDONJSA-N 0 0 385.136 3.055 10 5 GGBERN CC[C@@H](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000584352353 567035889 /nfs/dbraw/zinc/03/58/89/567035889.db2.gz MRHTXSYRVGVERN-NOZJJQNGSA-N 0 0 387.230 3.065 10 5 GGBERN CC[C@@H](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000584352354 567036681 /nfs/dbraw/zinc/03/66/81/567036681.db2.gz MRHTXSYRVGVERN-RNCFNFMXSA-N 0 0 387.230 3.065 10 5 GGBERN COC(=O)[C@H](CC(C)C)N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000452980745 567038302 /nfs/dbraw/zinc/03/83/02/567038302.db2.gz TUJXXRJEKATMMF-VIFPVBQESA-N 0 0 393.259 3.079 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C)C)nc1 ZINC000584458364 567045757 /nfs/dbraw/zinc/04/57/57/567045757.db2.gz KIMCVRSSQDNHQA-UHFFFAOYSA-N 0 0 379.214 3.379 10 5 GGBERN Cc1csc(Sc2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)n1 ZINC000495303488 567057106 /nfs/dbraw/zinc/05/71/06/567057106.db2.gz LEJLORNSSFXZTE-UHFFFAOYSA-N 0 0 375.435 3.497 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1 ZINC000495309105 567057618 /nfs/dbraw/zinc/05/76/18/567057618.db2.gz ZIXMQXPTZNZVSB-UHFFFAOYSA-N 0 0 393.119 3.362 10 5 GGBERN O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccc(Cl)c(Cl)c1 ZINC000495471541 567060319 /nfs/dbraw/zinc/06/03/19/567060319.db2.gz ZARRFYDHBOUQAU-UHFFFAOYSA-N 0 0 381.219 3.293 10 5 GGBERN COc1ccc(Br)cc1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495510903 567062980 /nfs/dbraw/zinc/06/29/80/567062980.db2.gz CMHYPKOJQPKQEM-UHFFFAOYSA-N 0 0 378.226 3.319 10 5 GGBERN Cc1c(NC(=O)[C@H](C)Oc2cccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000431181772 567064019 /nfs/dbraw/zinc/06/40/19/567064019.db2.gz LDJKILXASRZFPQ-JTQLQIEISA-N 0 0 380.198 3.467 10 5 GGBERN Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)cc(Br)cc1[N+](=O)[O-] ZINC000431179664 567064037 /nfs/dbraw/zinc/06/40/37/567064037.db2.gz DHYODAUOAUCLNC-HNNXBMFYSA-N 0 0 393.193 3.444 10 5 GGBERN Cc1c(NC(=O)c2ccc3nnn(C)c3c2)cc(Br)cc1[N+](=O)[O-] ZINC000431178820 567064145 /nfs/dbraw/zinc/06/41/45/567064145.db2.gz LPKGKXTXHZZNPU-UHFFFAOYSA-N 0 0 390.197 3.200 10 5 GGBERN Cc1c(NC(=O)CCNC(=O)c2ccco2)cc(Br)cc1[N+](=O)[O-] ZINC000431222267 567066450 /nfs/dbraw/zinc/06/64/50/567066450.db2.gz GCCLIRBBWDLZJT-UHFFFAOYSA-N 0 0 396.197 3.017 10 5 GGBERN O=[N+]([O-])c1ccc(-c2noc(CSc3nncs3)n2)c2c1NCCC2 ZINC000453241335 567066644 /nfs/dbraw/zinc/06/66/44/567066644.db2.gz UQBYFSBBTNKSCO-UHFFFAOYSA-N 0 0 376.423 3.147 10 5 GGBERN CC(C)(CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)N1CCS(=O)CC1 ZINC000613881279 567067856 /nfs/dbraw/zinc/06/78/56/567067856.db2.gz NQUSNJOPGHRWFC-UHFFFAOYSA-N 0 0 380.297 3.156 10 5 GGBERN Cc1c(NC(=O)c2ccc(N(C)C)nc2)cc(Br)cc1[N+](=O)[O-] ZINC000431245630 567068194 /nfs/dbraw/zinc/06/81/94/567068194.db2.gz GPZXHHGATDICEM-UHFFFAOYSA-N 0 0 379.214 3.379 10 5 GGBERN Cc1c(NC(=O)c2ccnc(N(C)C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431235970 567068319 /nfs/dbraw/zinc/06/83/19/567068319.db2.gz YOXGVWRQUFYAGN-UHFFFAOYSA-N 0 0 379.214 3.379 10 5 GGBERN Cc1c(NC(=O)c2cn(C(C)(C)C)nn2)cc(Br)cc1[N+](=O)[O-] ZINC000431236352 567068786 /nfs/dbraw/zinc/06/87/86/567068786.db2.gz HZWSSOWBBJMGCZ-UHFFFAOYSA-N 0 0 382.218 3.265 10 5 GGBERN O=[N+]([O-])c1cnccc1N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000613896340 567069407 /nfs/dbraw/zinc/06/94/07/567069407.db2.gz QYTOWPDUFWNCFQ-OAHLLOKOSA-N 0 0 382.189 3.469 10 5 GGBERN Cc1cc(=O)[nH]cc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000545740943 567072859 /nfs/dbraw/zinc/07/28/59/567072859.db2.gz ZEWJMRRSVWHHMV-UHFFFAOYSA-N 0 0 391.181 3.407 10 5 GGBERN CCOc1ccc([C@@H](C)NCc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000453311302 567074296 /nfs/dbraw/zinc/07/42/96/567074296.db2.gz SKINAFYBGXFPKA-SNVBAGLBSA-N 0 0 383.246 3.340 10 5 GGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCSC[C@@H]1c1nccs1 ZINC000565543956 567077619 /nfs/dbraw/zinc/07/76/19/567077619.db2.gz LAJHVGLCGKSTSW-CYBMUJFWSA-N 0 0 385.417 3.189 10 5 GGBERN O=C1C[C@H](c2cccc(Nc3ncc(Br)cc3[N+](=O)[O-])c2)CN1 ZINC000431427375 567080042 /nfs/dbraw/zinc/08/00/42/567080042.db2.gz NHEOYTUHGMJTLB-JTQLQIEISA-N 0 0 377.198 3.099 10 5 GGBERN C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ncc(Br)cn1 ZINC000431492484 567084965 /nfs/dbraw/zinc/08/49/65/567084965.db2.gz CTUQIKSEUKMRAN-ZCFIWIBFSA-N 0 0 381.215 3.325 10 5 GGBERN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585810132 567090471 /nfs/dbraw/zinc/09/04/71/567090471.db2.gz NULNZCQUTXQATI-CYBMUJFWSA-N 0 0 398.257 3.333 10 5 GGBERN O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585810064 567090590 /nfs/dbraw/zinc/09/05/90/567090590.db2.gz GIVUINQLEGTSDW-CYBMUJFWSA-N 0 0 390.193 3.422 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](C(F)(F)F)C1 ZINC000585808266 567091043 /nfs/dbraw/zinc/09/10/43/567091043.db2.gz OUCCWXZKHULTQS-JTQLQIEISA-N 0 0 398.135 3.152 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](n2ccnc2)C1 ZINC000585808806 567091292 /nfs/dbraw/zinc/09/12/92/567091292.db2.gz WKSKAHXFIJUVCW-CYBMUJFWSA-N 0 0 394.229 3.423 10 5 GGBERN COc1cccc(C[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000497370761 567091674 /nfs/dbraw/zinc/09/16/74/567091674.db2.gz UYCYBTJICJHSAA-LLVKDONJSA-N 0 0 384.841 3.166 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCOc2ncccc2C1 ZINC000585808731 567091609 /nfs/dbraw/zinc/09/16/09/567091609.db2.gz BAZXVBFADBXORO-UHFFFAOYSA-N 0 0 393.197 3.179 10 5 GGBERN COc1cccc(C[C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000497412639 567095403 /nfs/dbraw/zinc/09/54/03/567095403.db2.gz SILKQRNWRNZLRP-NSHDSACASA-N 0 0 384.841 3.166 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(C)(C)c2cc(Br)ccc21 ZINC000586826770 567100067 /nfs/dbraw/zinc/10/00/67/567100067.db2.gz WACCKMSWHBCNPN-UHFFFAOYSA-N 0 0 393.241 3.187 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(C2CCOCC2)C1 ZINC000586823695 567100078 /nfs/dbraw/zinc/10/00/78/567100078.db2.gz JOLDNEDDXXHYLU-UHFFFAOYSA-N 0 0 383.242 3.164 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000586835291 567101365 /nfs/dbraw/zinc/10/13/65/567101365.db2.gz UCPVLKGUMZJDCD-ZDUSSCGKSA-N 0 0 385.258 3.433 10 5 GGBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(C)(C)c2cc(Br)ccc21 ZINC000587519799 567104565 /nfs/dbraw/zinc/10/45/65/567104565.db2.gz DXDASRSFVSWBBT-UHFFFAOYSA-N 0 0 379.214 3.029 10 5 GGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000587416159 567104788 /nfs/dbraw/zinc/10/47/88/567104788.db2.gz QQPVXAVNIJVSEN-OUJBWJOFSA-N 0 0 378.372 3.254 10 5 GGBERN Nc1cc(N[C@H]2C[C@@H]2c2cccc(Br)c2)cc(CO)c1[N+](=O)[O-] ZINC000587797260 567105054 /nfs/dbraw/zinc/10/50/54/567105054.db2.gz USZWHXMTYIMTTP-HIFRSBDPSA-N 0 0 378.226 3.400 10 5 GGBERN C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1ccc(Br)cc1 ZINC000587987911 567105980 /nfs/dbraw/zinc/10/59/80/567105980.db2.gz VTFOBOGHNWHKFA-SNVBAGLBSA-N 0 0 396.241 3.311 10 5 GGBERN CN(CCc1ccc(Br)cc1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587972280 567106790 /nfs/dbraw/zinc/10/67/90/567106790.db2.gz GBTMKGWYZBOSBB-UHFFFAOYSA-N 0 0 380.242 3.111 10 5 GGBERN COC(=O)c1cc(C)nc(N2Cc3cccc(Br)c3C2)c1[N+](=O)[O-] ZINC000588020633 567107943 /nfs/dbraw/zinc/10/79/43/567107943.db2.gz ZINLBXWSSVBSGJ-UHFFFAOYSA-N 0 0 392.209 3.368 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Br)cc2OC)n1 ZINC000588022157 567108149 /nfs/dbraw/zinc/10/81/49/567108149.db2.gz QGQKHWJPAWUVNS-UHFFFAOYSA-N 0 0 396.197 3.160 10 5 GGBERN COc1ccc(Br)c(CN(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000588033016 567108946 /nfs/dbraw/zinc/10/89/46/567108946.db2.gz FSSOOFPXCZFCDX-UHFFFAOYSA-N 0 0 396.241 3.077 10 5 GGBERN Nc1cc(N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc(CO)c1[N+](=O)[O-] ZINC000588039296 567109647 /nfs/dbraw/zinc/10/96/47/567109647.db2.gz HQOCJHKOUSVNQF-DZGCQCFKSA-N 0 0 378.226 3.400 10 5 GGBERN Cc1c(Br)c(N2C[C@H](C(F)(F)F)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC000588068423 567110313 /nfs/dbraw/zinc/11/03/13/567110313.db2.gz NNIVOCYBIFUPBJ-HZGVNTEJSA-N 0 0 384.152 3.217 10 5 GGBERN Cc1c(Br)c(N2C[C@H](C(F)(F)F)OC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000588068424 567110672 /nfs/dbraw/zinc/11/06/72/567110672.db2.gz NNIVOCYBIFUPBJ-IMTBSYHQSA-N 0 0 384.152 3.217 10 5 GGBERN CC1(C)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)c2ccc(Br)cc21 ZINC000588068980 567111339 /nfs/dbraw/zinc/11/13/39/567111339.db2.gz USSDKMXFTDCJMV-UHFFFAOYSA-N 0 0 391.225 3.281 10 5 GGBERN CCN1C(=O)N=NC1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000588084121 567112671 /nfs/dbraw/zinc/11/26/71/567112671.db2.gz MYYVNRPHEQDNJR-UHFFFAOYSA-N 0 0 396.245 3.058 10 5 GGBERN COc1cc(Br)ccc1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000614518242 567117672 /nfs/dbraw/zinc/11/76/72/567117672.db2.gz FENMLGWEIRKWAS-UHFFFAOYSA-N 0 0 389.209 3.343 10 5 GGBERN C[C@@H](c1noc(CCc2cccc([N+](=O)[O-])c2)n1)n1cc(Br)cn1 ZINC000566009341 567118143 /nfs/dbraw/zinc/11/81/43/567118143.db2.gz OFLRYFGULFYFPV-JTQLQIEISA-N 0 0 392.213 3.331 10 5 GGBERN COc1ncccc1-c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000546374361 567125157 /nfs/dbraw/zinc/12/51/57/567125157.db2.gz BXFXMHFWGLYNND-UHFFFAOYSA-N 0 0 377.154 3.478 10 5 GGBERN Cc1[nH]nc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1C ZINC000546444644 567128552 /nfs/dbraw/zinc/12/85/52/567128552.db2.gz DGNUDIYSVQGNMQ-UHFFFAOYSA-N 0 0 378.186 3.338 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1NCCc1cccc(C(F)(F)F)n1 ZINC000432177365 567136258 /nfs/dbraw/zinc/13/62/58/567136258.db2.gz JBKLBKRFBSKUGX-UHFFFAOYSA-N 0 0 391.147 3.243 10 5 GGBERN COc1cncc(/C=C\CCn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1 ZINC000566210109 567137462 /nfs/dbraw/zinc/13/74/62/567137462.db2.gz ZPLDSMOYNOVAEN-HYXAFXHYSA-N 0 0 394.225 3.335 10 5 GGBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnc2c(Br)cccn12 ZINC000588868528 567140585 /nfs/dbraw/zinc/14/05/85/567140585.db2.gz JDGAGWBSJJOWTM-UHFFFAOYSA-N 0 0 390.197 3.056 10 5 GGBERN CCCCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000474201991 567146030 /nfs/dbraw/zinc/14/60/30/567146030.db2.gz YVEMLJZLMPASEW-NWDGAFQWSA-N 0 0 376.500 3.261 10 5 GGBERN C[C@H](Cc1ccc(Br)cc1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000523276059 567149382 /nfs/dbraw/zinc/14/93/82/567149382.db2.gz ZKMGKWIHOAOMNV-LLVKDONJSA-N 0 0 395.257 3.036 10 5 GGBERN COc1ccc(CNC(=O)Cc2cscc2Br)cc1[N+](=O)[O-] ZINC000432391950 567155988 /nfs/dbraw/zinc/15/59/88/567155988.db2.gz OXZPUFKFOCTMGV-UHFFFAOYSA-N 0 0 385.239 3.286 10 5 GGBERN Cc1ccc(NC(=O)N[C@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000432482913 567163221 /nfs/dbraw/zinc/16/32/21/567163221.db2.gz KJDCRPFVORMZIH-SECBINFHSA-N 0 0 380.202 3.338 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN2CC3(C2)CC(F)(F)C3)c1 ZINC000589258216 567169648 /nfs/dbraw/zinc/16/96/48/567169648.db2.gz TUPMNYLJTUGGKP-UHFFFAOYSA-N 0 0 394.159 3.431 10 5 GGBERN O=[N+]([O-])c1cccc(-c2noc(CS(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000546933173 567171922 /nfs/dbraw/zinc/17/19/22/567171922.db2.gz GZPHOGCNWOHOEK-UHFFFAOYSA-N 0 0 379.781 3.272 10 5 GGBERN CC[C@@H](C)C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000566622893 567173245 /nfs/dbraw/zinc/17/32/45/567173245.db2.gz QKMHOEMFGWRAIA-BXKDBHETSA-N 0 0 387.230 3.065 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCC2(F)F)c1 ZINC000589319553 567175371 /nfs/dbraw/zinc/17/53/71/567175371.db2.gz CXGROULICJOMMM-LLVKDONJSA-N 0 0 382.148 3.477 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCCC2(F)F)c1 ZINC000589319555 567175561 /nfs/dbraw/zinc/17/55/61/567175561.db2.gz CXGROULICJOMMM-NSHDSACASA-N 0 0 382.148 3.477 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cc(Br)ccc3OC)no2)n1 ZINC000566644907 567176003 /nfs/dbraw/zinc/17/60/03/567176003.db2.gz DPBODRBIXRKAKU-UHFFFAOYSA-N 0 0 394.185 3.299 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ncc(Br)s1 ZINC000432641921 567176827 /nfs/dbraw/zinc/17/68/27/567176827.db2.gz CUEJHGSOVQJIOA-MRVPVSSYSA-N 0 0 391.268 3.490 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2ccc(Br)o2)c1 ZINC000589494940 567182064 /nfs/dbraw/zinc/18/20/64/567182064.db2.gz AHDINLUWLHINKY-UHFFFAOYSA-N 0 0 383.198 3.369 10 5 GGBERN C[C@@H](Cc1ccccc1Br)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589585169 567185611 /nfs/dbraw/zinc/18/56/11/567185611.db2.gz UEDGPONSJYHHEJ-JTQLQIEISA-N 0 0 380.242 3.475 10 5 GGBERN O=[N+]([O-])c1ccc(Cc2noc(/C=C/c3ccc(Br)o3)n2)nc1 ZINC000547195017 567189550 /nfs/dbraw/zinc/18/95/50/567189550.db2.gz OSHXTMCFJDNAFL-GQCTYLIASA-N 0 0 377.154 3.490 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NCc1nccn1CC(F)(F)F ZINC000474789219 567198750 /nfs/dbraw/zinc/19/87/50/567198750.db2.gz ITVFZPIIMWURAG-UHFFFAOYSA-N 0 0 380.124 3.123 10 5 GGBERN CN(c1ncc([N+](=O)[O-])cc1Br)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474782944 567199589 /nfs/dbraw/zinc/19/95/89/567199589.db2.gz GWBKEOKZPYZOBH-CQSZACIVSA-N 0 0 391.269 3.463 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2cc(Br)c(Cl)cc21 ZINC000615726951 567201637 /nfs/dbraw/zinc/20/16/37/567201637.db2.gz FURWYKHUHOSCLB-UHFFFAOYSA-N 0 0 397.616 3.199 10 5 GGBERN CNS(=O)(=O)c1ccc(NCc2cc(F)c(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000432921672 567204986 /nfs/dbraw/zinc/20/49/86/567204986.db2.gz FJQQHEMEMWPFBI-UHFFFAOYSA-N 0 0 391.783 3.047 10 5 GGBERN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000590145515 567211929 /nfs/dbraw/zinc/21/19/29/567211929.db2.gz DHMYUEISZLLRFA-ZETCQYMHSA-N 0 0 383.177 3.163 10 5 GGBERN CO[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1C ZINC000567032437 567212362 /nfs/dbraw/zinc/21/23/62/567212362.db2.gz REVJPPPAYYHIBU-QMTHXVAHSA-N 0 0 390.221 3.056 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2cc(Br)c(Cl)cc21 ZINC000615889071 567212503 /nfs/dbraw/zinc/21/25/03/567212503.db2.gz DVTYIYWQRGYLCJ-UHFFFAOYSA-N 0 0 399.632 3.187 10 5 GGBERN Cc1nn(C)c(C(=O)N2CCc3cc(Br)c(Cl)cc32)c1[N+](=O)[O-] ZINC000615889165 567213182 /nfs/dbraw/zinc/21/31/82/567213182.db2.gz NMIDCVOFLDPOKD-UHFFFAOYSA-N 0 0 399.632 3.256 10 5 GGBERN O=C(COc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 ZINC000525114736 567229309 /nfs/dbraw/zinc/22/93/09/567229309.db2.gz LZRHYGLOSKQDSF-UHFFFAOYSA-N 0 0 395.165 3.104 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1CC1CCC1 ZINC000590532463 567230695 /nfs/dbraw/zinc/23/06/95/567230695.db2.gz NOFLWVFGFHEFEO-HNNXBMFYSA-N 0 0 383.242 3.389 10 5 GGBERN COC(=O)c1c(Cl)c(Oc2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000590568980 567232562 /nfs/dbraw/zinc/23/25/62/567232562.db2.gz FMSIQKOYCUQICO-UHFFFAOYSA-N 0 0 385.781 3.231 10 5 GGBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000433270080 567239086 /nfs/dbraw/zinc/23/90/86/567239086.db2.gz QJUOWWBCDPSSIA-NHYWBVRUSA-N 0 0 385.258 3.418 10 5 GGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000433270079 567239165 /nfs/dbraw/zinc/23/91/65/567239165.db2.gz QJUOWWBCDPSSIA-IAQYHMDHSA-N 0 0 385.258 3.418 10 5 GGBERN Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)s1 ZINC000525265857 567239716 /nfs/dbraw/zinc/23/97/16/567239716.db2.gz HDDPOMPZVWANSP-UHFFFAOYSA-N 0 0 380.451 3.016 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCC(OC(F)F)CC2)c1C ZINC000590764624 567246177 /nfs/dbraw/zinc/24/61/77/567246177.db2.gz HPBQGLXBWKSXCJ-UHFFFAOYSA-N 0 0 378.397 3.040 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCC(OC(F)F)CC1 ZINC000590764512 567246266 /nfs/dbraw/zinc/24/62/66/567246266.db2.gz FJIALEUKTXZAEZ-UHFFFAOYSA-N 0 0 378.397 3.040 10 5 GGBERN Cc1cc(C)c(S(=O)(=O)NC2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590764621 567246633 /nfs/dbraw/zinc/24/66/33/567246633.db2.gz FYQXUYFABAJCFY-UHFFFAOYSA-N 0 0 378.397 3.040 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N3CC[C@H](O)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000590874394 567254502 /nfs/dbraw/zinc/25/45/02/567254502.db2.gz ITIYECUMUKJQFI-MFKMUULPSA-N 0 0 379.463 3.106 10 5 GGBERN Cc1c(NC(=O)NC[C@@]2(O)CCC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000455360954 567263551 /nfs/dbraw/zinc/26/35/51/567263551.db2.gz UQXIHWYIWCVJPL-PSLIRLAXSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1cnc(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000455356478 567263912 /nfs/dbraw/zinc/26/39/12/567263912.db2.gz PGSYNABMNFAYPC-UHFFFAOYSA-N 0 0 394.229 3.128 10 5 GGBERN Cc1nccnc1CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000455364738 567265791 /nfs/dbraw/zinc/26/57/91/567265791.db2.gz YQLCWKBAPYEGBX-UHFFFAOYSA-N 0 0 394.229 3.128 10 5 GGBERN Nc1cc(N2CCC[C@H]2c2ccc(Br)cn2)cc(CO)c1[N+](=O)[O-] ZINC000591174585 567267855 /nfs/dbraw/zinc/26/78/55/567267855.db2.gz XQBLSWQFTVAGTF-HNNXBMFYSA-N 0 0 393.241 3.168 10 5 GGBERN CC1(C)C[C@H](O)CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000455398406 567270823 /nfs/dbraw/zinc/27/08/23/567270823.db2.gz HQSXWPFVYOJMOP-CYBMUJFWSA-N 0 0 386.246 3.372 10 5 GGBERN Cc1nccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1Br ZINC000525849981 567271451 /nfs/dbraw/zinc/27/14/51/567271451.db2.gz KLNRPJJKSPPKFJ-UHFFFAOYSA-N 0 0 382.239 3.213 10 5 GGBERN CCCN1C[C@H](c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)CC1=O ZINC000591456616 567283382 /nfs/dbraw/zinc/28/33/82/567283382.db2.gz ARFNCFPESJYHED-SECBINFHSA-N 0 0 395.213 3.133 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2cccc(Br)c2)CC2CC2)n1 ZINC000475880880 567284814 /nfs/dbraw/zinc/28/48/14/567284814.db2.gz MNZIZOSVZVKULB-UHFFFAOYSA-N 0 0 393.241 3.143 10 5 GGBERN Cc1sc(S(=O)(=O)N(Cc2ccc(C)nc2)CC2CC2)cc1[N+](=O)[O-] ZINC000592074764 567313298 /nfs/dbraw/zinc/31/32/98/567313298.db2.gz NPZJKAOQHXHEHY-UHFFFAOYSA-N 0 0 381.479 3.269 10 5 GGBERN CC1(CC(F)F)CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592073234 567313308 /nfs/dbraw/zinc/31/33/08/567313308.db2.gz KGIPYQJQGHVURH-UHFFFAOYSA-N 0 0 388.314 3.279 10 5 GGBERN CC(C)(NS(=O)(=O)c1ccc2ncsc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000476338000 567315833 /nfs/dbraw/zinc/31/58/33/567315833.db2.gz LWUSJBYACPFRFI-UHFFFAOYSA-N 0 0 377.447 3.418 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000592129540 567315957 /nfs/dbraw/zinc/31/59/57/567315957.db2.gz QQHPJCQCCRNKBU-GWCFXTLKSA-N 0 0 397.191 3.493 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1ccc(F)cc1Cl ZINC000500449587 567322227 /nfs/dbraw/zinc/32/22/27/567322227.db2.gz VVMDIUIUJVVWQI-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)=O)ccc1Cl ZINC000476483549 567327165 /nfs/dbraw/zinc/32/71/65/567327165.db2.gz LAXWJXXRVUXVKF-UHFFFAOYSA-N 0 0 384.797 3.260 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCC3(CC3)CC2)c(Br)c1 ZINC000434774133 567327423 /nfs/dbraw/zinc/32/74/23/567327423.db2.gz GJKMNWFOXKMXCX-UHFFFAOYSA-N 0 0 389.271 3.358 10 5 GGBERN COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000500563133 567330957 /nfs/dbraw/zinc/33/09/57/567330957.db2.gz XIQQTUNPCDVDQO-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)c1ccc2ncsc2c1 ZINC000476511360 567331055 /nfs/dbraw/zinc/33/10/55/567331055.db2.gz PBVRRLHJKVZSFH-UHFFFAOYSA-N 0 0 397.865 3.379 10 5 GGBERN Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)c1ccc3ncsc3c1)CC2 ZINC000476513582 567331385 /nfs/dbraw/zinc/33/13/85/567331385.db2.gz QZXGPBSVPWDXHG-UHFFFAOYSA-N 0 0 375.431 3.264 10 5 GGBERN CSC[C@@H]1CCCN1c1nnc(CSc2ccccc2[N+](=O)[O-])n1C ZINC000592401129 567336773 /nfs/dbraw/zinc/33/67/73/567336773.db2.gz AMWMIWNWRJQEBR-LBPRGKRZSA-N 0 0 379.511 3.347 10 5 GGBERN CCN1C[C@H](c2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)CC1=O ZINC000592417715 567336790 /nfs/dbraw/zinc/33/67/90/567336790.db2.gz JDFUXQWMHNPOHU-SECBINFHSA-N 0 0 395.213 3.052 10 5 GGBERN CC(C)c1[nH]nc(-c2nc(Cc3ncsc3Br)no2)c1[N+](=O)[O-] ZINC000592418528 567337804 /nfs/dbraw/zinc/33/78/04/567337804.db2.gz PTXGKKXXLQDAPV-UHFFFAOYSA-N 0 0 399.230 3.301 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1(CF)CCOCC1 ZINC000456116687 567342883 /nfs/dbraw/zinc/34/28/83/567342883.db2.gz DIWCOQBJSBUGRH-UHFFFAOYSA-N 0 0 376.837 3.223 10 5 GGBERN C[C@H]1C(=O)N(C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000592528909 567344015 /nfs/dbraw/zinc/34/40/15/567344015.db2.gz KRZFGPLHUVRPQN-JTQLQIEISA-N 0 0 394.225 3.237 10 5 GGBERN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000456138070 567344963 /nfs/dbraw/zinc/34/49/63/567344963.db2.gz RMWNLWBQDMQAEJ-NEPJUHHUSA-N 0 0 386.857 3.188 10 5 GGBERN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cncc(F)c1 ZINC000476769612 567347974 /nfs/dbraw/zinc/34/79/74/567347974.db2.gz VCMPFOLSSBPFSW-SECBINFHSA-N 0 0 382.189 3.311 10 5 GGBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cncc(F)c1 ZINC000476769614 567348361 /nfs/dbraw/zinc/34/83/61/567348361.db2.gz VCMPFOLSSBPFSW-VIFPVBQESA-N 0 0 382.189 3.311 10 5 GGBERN O=C(Nc1n[nH]c2cc(F)ccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000476795578 567349397 /nfs/dbraw/zinc/34/93/97/567349397.db2.gz OWYYKDBGSNTMHF-UHFFFAOYSA-N 0 0 379.145 3.047 10 5 GGBERN CC1=C[C@@H](C)CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000568712855 567350863 /nfs/dbraw/zinc/35/08/63/567350863.db2.gz PHSFGSQYIHREJS-SECBINFHSA-N 0 0 386.189 3.238 10 5 GGBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)CC(F)F ZINC000592672039 567354034 /nfs/dbraw/zinc/35/40/34/567354034.db2.gz LIHCWCRSBHEHGH-ZETCQYMHSA-N 0 0 398.147 3.221 10 5 GGBERN Cc1c(NC(=O)NCC2(O)CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435323043 567355260 /nfs/dbraw/zinc/35/52/60/567355260.db2.gz JGBZJVLLVKFQQT-UHFFFAOYSA-N 0 0 386.246 3.482 10 5 GGBERN Cc1c(NC(=O)N(C)CCCn2ccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000435322406 567355280 /nfs/dbraw/zinc/35/52/80/567355280.db2.gz CKMVPKRODDTKGH-UHFFFAOYSA-N 0 0 396.245 3.416 10 5 GGBERN CCO[C@@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592701788 567355400 /nfs/dbraw/zinc/35/54/00/567355400.db2.gz FBCVDFLIQMIPMP-YNEQXMIYSA-N 0 0 395.300 3.058 10 5 GGBERN COc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nc1 ZINC000435330495 567355788 /nfs/dbraw/zinc/35/57/88/567355788.db2.gz TVKNKKJNJMJRLF-UHFFFAOYSA-N 0 0 395.213 3.391 10 5 GGBERN Cc1c(NC(=O)NCC2(CCO)CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435330426 567355864 /nfs/dbraw/zinc/35/58/64/567355864.db2.gz SQPISVRLMVHOFA-UHFFFAOYSA-N 0 0 386.246 3.340 10 5 GGBERN Cc1c(NC(=O)NCCc2ccncc2)cc(Br)cc1[N+](=O)[O-] ZINC000435331262 567355898 /nfs/dbraw/zinc/35/58/98/567355898.db2.gz ZQVBGQXPMDHGCS-UHFFFAOYSA-N 0 0 379.214 3.425 10 5 GGBERN COc1nn(C)cc1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435328691 567356383 /nfs/dbraw/zinc/35/63/83/567356383.db2.gz MKBHGZPUSWXRMU-UHFFFAOYSA-N 0 0 384.190 3.052 10 5 GGBERN Cc1c(NC(=O)NC[C@@H]2CCCC[C@H]2O)cc(Br)cc1[N+](=O)[O-] ZINC000435331259 567356717 /nfs/dbraw/zinc/35/67/17/567356717.db2.gz ZQQRJIKNSUQDLH-IINYFYTJSA-N 0 0 386.246 3.338 10 5 GGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1csc(C)c1 ZINC000592730591 567358374 /nfs/dbraw/zinc/35/83/74/567358374.db2.gz QUOGLDLMNWWWHA-HNNXBMFYSA-N 0 0 382.463 3.249 10 5 GGBERN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[nH]n1 ZINC000501067809 567361005 /nfs/dbraw/zinc/36/10/05/567361005.db2.gz DKJXSMFIFWNAOY-MRVPVSSYSA-N 0 0 382.218 3.142 10 5 GGBERN O=C(NCc1cn2ccccc2n1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501070410 567362589 /nfs/dbraw/zinc/36/25/89/567362589.db2.gz KGXNEDGVVBAPEA-UHFFFAOYSA-N 0 0 390.197 3.327 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H](CO)c1ccccc1 ZINC000501074157 567363012 /nfs/dbraw/zinc/36/30/12/567363012.db2.gz MISIHUOAONCMSH-CQSZACIVSA-N 0 0 380.198 3.212 10 5 GGBERN O=C(NCc1nccn1C(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501094091 567363839 /nfs/dbraw/zinc/36/38/39/567363839.db2.gz LGYREUBVBFJQCQ-UHFFFAOYSA-N 0 0 390.144 3.271 10 5 GGBERN COC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 ZINC000501086653 567363853 /nfs/dbraw/zinc/36/38/53/567363853.db2.gz WWAUQSBYHAMGHO-LBPRGKRZSA-N 0 0 384.186 3.460 10 5 GGBERN O=C(NCCOCC(F)(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501100797 567364098 /nfs/dbraw/zinc/36/40/98/567364098.db2.gz QLHAWDZAJKWAAX-UHFFFAOYSA-N 0 0 386.124 3.058 10 5 GGBERN Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501095179 567364488 /nfs/dbraw/zinc/36/44/88/567364488.db2.gz AHGPAVWAGQKGBT-ZDUSSCGKSA-N 0 0 394.229 3.290 10 5 GGBERN Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501106492 567365958 /nfs/dbraw/zinc/36/59/58/567365958.db2.gz OAKWELAQDGLRRR-MRVPVSSYSA-N 0 0 382.218 3.282 10 5 GGBERN Cc1nc(C(C)(C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000501128790 567367484 /nfs/dbraw/zinc/36/74/84/567367484.db2.gz OBGRHNAIFQJVGL-UHFFFAOYSA-N 0 0 384.190 3.106 10 5 GGBERN CC1(CC(F)F)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592836370 567367622 /nfs/dbraw/zinc/36/76/22/567367622.db2.gz VYHPTMQADIWNOU-UHFFFAOYSA-N 0 0 377.185 3.404 10 5 GGBERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501272339 567376097 /nfs/dbraw/zinc/37/60/97/567376097.db2.gz SOOLYZDFPDYRBM-MRVPVSSYSA-N 0 0 381.230 3.450 10 5 GGBERN COc1ccccc1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501280062 567376103 /nfs/dbraw/zinc/37/61/03/567376103.db2.gz ACCNSRYLUDHKAK-UHFFFAOYSA-N 0 0 379.166 3.187 10 5 GGBERN C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501293119 567379483 /nfs/dbraw/zinc/37/94/83/567379483.db2.gz YPXHUJKLDDGMFP-QMTHXVAHSA-N 0 0 387.230 3.270 10 5 GGBERN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435605194 567379929 /nfs/dbraw/zinc/37/99/29/567379929.db2.gz RMUBFDBXFWCXDH-AULYBMBSSA-N 0 0 381.841 3.254 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccnn1CC(F)F ZINC000501303642 567380248 /nfs/dbraw/zinc/38/02/48/567380248.db2.gz MVRIUPYPBAFKRI-UHFFFAOYSA-N 0 0 375.129 3.071 10 5 GGBERN CC(=O)Nc1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cs1 ZINC000501310656 567380324 /nfs/dbraw/zinc/38/03/24/567380324.db2.gz UUFCCZOVUAMZBX-UHFFFAOYSA-N 0 0 385.199 3.025 10 5 GGBERN CN(CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)c1cccs1 ZINC000501313493 567380409 /nfs/dbraw/zinc/38/04/09/567380409.db2.gz CCUBZSIRHRPLNK-UHFFFAOYSA-N 0 0 398.238 3.130 10 5 GGBERN COCCOc1ncccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501316596 567380795 /nfs/dbraw/zinc/38/07/95/567380795.db2.gz MHFHUBRICNYQCX-UHFFFAOYSA-N 0 0 396.197 3.030 10 5 GGBERN O=C(Cc1ccc(Br)cc1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000477209685 567380824 /nfs/dbraw/zinc/38/08/24/567380824.db2.gz TVAFPOAICIVJLB-UHFFFAOYSA-N 0 0 377.194 3.195 10 5 GGBERN C[C@H](NC(=O)Cc1ccc(Br)cc1O)c1cccc([N+](=O)[O-])c1 ZINC000477275279 567386057 /nfs/dbraw/zinc/38/60/57/567386057.db2.gz QOISBWXRMSFNBI-JTQLQIEISA-N 0 0 379.210 3.483 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000477357643 567389506 /nfs/dbraw/zinc/38/95/06/567389506.db2.gz VITOYWQREXZFDP-JTQLQIEISA-N 0 0 379.766 3.265 10 5 GGBERN CN(C(=O)[C@H]1CCOc2ccc(Br)cc21)c1ccc([N+](=O)[O-])nc1 ZINC000593144420 567389965 /nfs/dbraw/zinc/38/99/65/567389965.db2.gz WKJNAYSJACFFIT-LBPRGKRZSA-N 0 0 392.209 3.281 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000618466662 567392684 /nfs/dbraw/zinc/39/26/84/567392684.db2.gz URDVBHGZIGSJIO-ZDUSSCGKSA-N 0 0 380.750 3.332 10 5 GGBERN CC1(C2(NC(=O)c3ccc([N+](=O)[O-])cc3I)CC2)CC1 ZINC000456653181 567398672 /nfs/dbraw/zinc/39/86/72/567398672.db2.gz VUAQQHKQZCLKTG-UHFFFAOYSA-N 0 0 386.189 3.262 10 5 GGBERN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000456658973 567399208 /nfs/dbraw/zinc/39/92/08/567399208.db2.gz QCLJDSOVLKFLGS-JTQLQIEISA-N 0 0 379.766 3.204 10 5 GGBERN CCOc1cc(CN2c3cccc(Cl)c3CS2(=O)=O)ccc1[N+](=O)[O-] ZINC000593242486 567400692 /nfs/dbraw/zinc/40/06/92/567400692.db2.gz YDFQPAVDJGLHIY-UHFFFAOYSA-N 0 0 382.825 3.497 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000593240755 567400823 /nfs/dbraw/zinc/40/08/23/567400823.db2.gz PYZWPRNNGFDDHZ-UHFFFAOYSA-N 0 0 381.219 3.259 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC(n4cc(Br)cn4)CC3)nc2c1 ZINC000618584164 567401873 /nfs/dbraw/zinc/40/18/73/567401873.db2.gz IMQXOJOHYUMJJH-UHFFFAOYSA-N 0 0 391.229 3.272 10 5 GGBERN Cc1[nH]c2ccccc2c1C(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000477572461 567402828 /nfs/dbraw/zinc/40/28/28/567402828.db2.gz ULRPDIMPUTVUMT-UHFFFAOYSA-N 0 0 390.193 3.192 10 5 GGBERN Cc1cc(Br)cc(C)c1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000477591617 567403574 /nfs/dbraw/zinc/40/35/74/567403574.db2.gz VPCLKRVGBOQSLJ-UHFFFAOYSA-N 0 0 379.214 3.080 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000456705158 567404184 /nfs/dbraw/zinc/40/41/84/567404184.db2.gz ZAILPTGCBWGYBQ-INIZCTEOSA-N 0 0 383.242 3.308 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000456706435 567405210 /nfs/dbraw/zinc/40/52/10/567405210.db2.gz FMPVDSYMJJULSO-MRXNPFEDSA-N 0 0 383.242 3.308 10 5 GGBERN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C2(CCC2)CO1 ZINC000593319470 567405941 /nfs/dbraw/zinc/40/59/41/567405941.db2.gz LIZUDVCGXJTDET-NSHDSACASA-N 0 0 383.242 3.070 10 5 GGBERN C[C@@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593318766 567405997 /nfs/dbraw/zinc/40/59/97/567405997.db2.gz HEXFOYLECFBSCX-MRVPVSSYSA-N 0 0 375.244 3.202 10 5 GGBERN O=C(Nc1nc2ccccc2c(=O)[nH]1)c1sc(Br)cc1[N+](=O)[O-] ZINC000618648474 567406572 /nfs/dbraw/zinc/40/65/72/567406572.db2.gz DTYZHCZTANNXLK-UHFFFAOYSA-N 0 0 395.194 3.320 10 5 GGBERN CC1(C)Cc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C(=O)N1 ZINC000593349682 567408751 /nfs/dbraw/zinc/40/87/51/567408751.db2.gz YOOCDTLKIOJORM-UHFFFAOYSA-N 0 0 380.813 3.022 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000456726383 567411015 /nfs/dbraw/zinc/41/10/15/567411015.db2.gz ZPIYGQHGNHIODE-AMIZOPFISA-N 0 0 398.790 3.112 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1OCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593423441 567411677 /nfs/dbraw/zinc/41/16/77/567411677.db2.gz VTNJYLNTQSNYRI-UHFFFAOYSA-N 0 0 382.825 3.268 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NC[C@@]1(CO)CCc2ccccc21 ZINC000593483241 567418013 /nfs/dbraw/zinc/41/80/13/567418013.db2.gz CQXZEKFNDHBREQ-MRXNPFEDSA-N 0 0 378.226 3.041 10 5 GGBERN CC(C)(C)OC(=O)CC1(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC1 ZINC000593492601 567419827 /nfs/dbraw/zinc/41/98/27/567419827.db2.gz AKAXATJOKMLICF-UHFFFAOYSA-N 0 0 390.483 3.126 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)nc1 ZINC000593545376 567422056 /nfs/dbraw/zinc/42/20/56/567422056.db2.gz DCAYKFLWGJXNBU-AWEZNQCLSA-N 0 0 399.881 3.122 10 5 GGBERN O=[N+]([O-])c1cnc(NCCc2cc(-c3ccncc3)n[nH]2)c(Br)c1 ZINC000436422906 567422878 /nfs/dbraw/zinc/42/28/78/567422878.db2.gz PGSBCOHSVQAABC-UHFFFAOYSA-N 0 0 389.213 3.192 10 5 GGBERN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593555650 567423992 /nfs/dbraw/zinc/42/39/92/567423992.db2.gz GMVAJJQDSJEERT-VXGBXAGGSA-N 0 0 383.857 3.456 10 5 GGBERN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593555648 567424073 /nfs/dbraw/zinc/42/40/73/567424073.db2.gz GMVAJJQDSJEERT-NWDGAFQWSA-N 0 0 383.857 3.456 10 5 GGBERN Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593569266 567425134 /nfs/dbraw/zinc/42/51/34/567425134.db2.gz ZDZZXHKHLQJPNT-LLVKDONJSA-N 0 0 384.483 3.260 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)nc1 ZINC000593598125 567426697 /nfs/dbraw/zinc/42/66/97/567426697.db2.gz OJLWYTGRFUCNEA-AWEZNQCLSA-N 0 0 399.881 3.199 10 5 GGBERN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000456932565 567427596 /nfs/dbraw/zinc/42/75/96/567427596.db2.gz ICZMOBASILEJTG-UHFFFAOYSA-N 0 0 379.766 3.347 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1Br ZINC000569737245 567428877 /nfs/dbraw/zinc/42/88/77/567428877.db2.gz YWTGXYAZPPMKFK-UHFFFAOYSA-N 0 0 389.209 3.206 10 5 GGBERN O=[N+]([O-])c1cccc(OCCS(=O)(=O)c2cccc(Br)c2)c1 ZINC000550139523 567428921 /nfs/dbraw/zinc/42/89/21/567428921.db2.gz ZOSAMVAYKAXIFY-UHFFFAOYSA-N 0 0 386.223 3.210 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593630629 567431334 /nfs/dbraw/zinc/43/13/34/567431334.db2.gz XOMIUCPPHLQYBA-MRXNPFEDSA-N 0 0 388.873 3.040 10 5 GGBERN COC[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000457018259 567432715 /nfs/dbraw/zinc/43/27/15/567432715.db2.gz ALGHRXRDLYBXKH-LBPRGKRZSA-N 0 0 385.258 3.175 10 5 GGBERN O=C(Cc1cn2c(n1)CCCC2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000593690361 567434959 /nfs/dbraw/zinc/43/49/59/567434959.db2.gz QVXQLGUBNRDMOO-UHFFFAOYSA-N 0 0 379.214 3.071 10 5 GGBERN Cc1c(NC(=O)C(=O)NC2CC3(CCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000593723267 567437762 /nfs/dbraw/zinc/43/77/62/567437762.db2.gz VLUHPVHVGDRGER-UHFFFAOYSA-N 0 0 396.241 3.053 10 5 GGBERN CCc1n[nH]c(C(=O)NC2(c3ccccc3Br)CCC2)c1[N+](=O)[O-] ZINC000593755718 567439022 /nfs/dbraw/zinc/43/90/22/567439022.db2.gz LPFAAAKVOVFMDX-UHFFFAOYSA-N 0 0 393.241 3.452 10 5 GGBERN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC12CCCC2 ZINC000593760896 567439446 /nfs/dbraw/zinc/43/94/46/567439446.db2.gz HXISAOQDWCEKHI-UHFFFAOYSA-N 0 0 386.189 3.358 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2c(Br)cccc2C1 ZINC000619419607 567450969 /nfs/dbraw/zinc/45/09/69/567450969.db2.gz VHHBBWONNKLCAJ-UHFFFAOYSA-N 0 0 392.209 3.096 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCc2cccnc21 ZINC000594068742 567456990 /nfs/dbraw/zinc/45/69/90/567456990.db2.gz OMVWOQASEORULO-UHFFFAOYSA-N 0 0 376.210 3.274 10 5 GGBERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594072479 567457031 /nfs/dbraw/zinc/45/70/31/567457031.db2.gz PXESVGVBEPPODR-CABCVRRESA-N 0 0 383.242 3.435 10 5 GGBERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Br ZINC000594071999 567457037 /nfs/dbraw/zinc/45/70/37/567457037.db2.gz MSKFMYBNKHUKGZ-HUUCEWRRSA-N 0 0 383.242 3.435 10 5 GGBERN COc1ccc(NC(=O)c2cc(Br)cc3[nH]cnc32)cc1[N+](=O)[O-] ZINC000502848534 567457369 /nfs/dbraw/zinc/45/73/69/567457369.db2.gz ZBAZGQRPGIUTDI-UHFFFAOYSA-N 0 0 391.181 3.495 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594074461 567457248 /nfs/dbraw/zinc/45/72/48/567457248.db2.gz WBWPADVOLBKLCO-RDJZCZTQSA-N 0 0 397.269 3.364 10 5 GGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Br ZINC000594072000 567457412 /nfs/dbraw/zinc/45/74/12/567457412.db2.gz MSKFMYBNKHUKGZ-LSDHHAIUSA-N 0 0 383.242 3.435 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1-c1noc(C2(c3ccccc3Br)CC2)n1 ZINC000570127524 567460025 /nfs/dbraw/zinc/46/00/25/567460025.db2.gz QNOPKISZSQPHIQ-UHFFFAOYSA-N 0 0 390.197 3.221 10 5 GGBERN Cc1c(NC(=O)NC2(CO)CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000619540867 567463077 /nfs/dbraw/zinc/46/30/77/567463077.db2.gz AUNUSSYTPFOUFL-UHFFFAOYSA-N 0 0 386.246 3.482 10 5 GGBERN Cc1noc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1C ZINC000478533641 567465745 /nfs/dbraw/zinc/46/57/45/567465745.db2.gz GEZHNXQZBOLKFJ-UHFFFAOYSA-N 0 0 387.133 3.057 10 5 GGBERN COc1ccccc1NC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000550988056 567470881 /nfs/dbraw/zinc/47/08/81/567470881.db2.gz IAURDVGRWFYBOD-UHFFFAOYSA-N 0 0 380.198 3.417 10 5 GGBERN COc1ccccc1CNC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000550988649 567471243 /nfs/dbraw/zinc/47/12/43/567471243.db2.gz UXXXICYLIWTQCI-UHFFFAOYSA-N 0 0 394.225 3.094 10 5 GGBERN CC(C)(C)c1cc(Br)cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1O ZINC000594381452 567472854 /nfs/dbraw/zinc/47/28/54/567472854.db2.gz KHLDYBIWGDFGCC-UHFFFAOYSA-N 0 0 397.229 3.196 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CC(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000619730167 567475671 /nfs/dbraw/zinc/47/56/71/567475671.db2.gz LXBPSPBBNKTEFY-UHFFFAOYSA-N 0 0 383.242 3.164 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000619753589 567478919 /nfs/dbraw/zinc/47/89/19/567478919.db2.gz KCYMZYHWKZVVEW-ZDUSSCGKSA-N 0 0 378.372 3.338 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000619753583 567478930 /nfs/dbraw/zinc/47/89/30/567478930.db2.gz JMFKORUVRYTXJG-ZDUSSCGKSA-N 0 0 378.372 3.338 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)C(F)F ZINC000619773864 567480272 /nfs/dbraw/zinc/48/02/72/567480272.db2.gz YGOOKRWBYZRQCD-UHFFFAOYSA-N 0 0 398.147 3.281 10 5 GGBERN COc1ccc(S(=O)(=O)N[C@@H](C)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000594488137 567481579 /nfs/dbraw/zinc/48/15/79/567481579.db2.gz PKVWJXGUSYLHNT-JTQLQIEISA-N 0 0 378.397 3.096 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1nccn1CC(F)(F)F ZINC000437245092 567484893 /nfs/dbraw/zinc/48/48/93/567484893.db2.gz OLSCDBHGEXXDKF-JTQLQIEISA-N 0 0 377.344 3.030 10 5 GGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000478879738 567488842 /nfs/dbraw/zinc/48/88/42/567488842.db2.gz CREAEQJOHMRPAW-WCQYABFASA-N 0 0 380.388 3.130 10 5 GGBERN COc1ccc(COc2ccc(I)cc2[N+](=O)[O-])cn1 ZINC000478894772 567490018 /nfs/dbraw/zinc/49/00/18/567490018.db2.gz FCEYYRARKHJUPE-UHFFFAOYSA-N 0 0 386.145 3.182 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000551305219 567496794 /nfs/dbraw/zinc/49/67/94/567496794.db2.gz LHSQEEMFQAJVRW-UHFFFAOYSA-N 0 0 382.218 3.265 10 5 GGBERN COc1cccc(OCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000551333564 567497705 /nfs/dbraw/zinc/49/77/05/567497705.db2.gz XLLYMBFZUNKQPQ-UHFFFAOYSA-N 0 0 381.182 3.383 10 5 GGBERN O=c1cc(CNc2cc(Br)cc([N+](=O)[O-])c2)nc2sccn21 ZINC000551359711 567500795 /nfs/dbraw/zinc/50/07/95/567500795.db2.gz NGRCNQYZYAQBKE-UHFFFAOYSA-N 0 0 381.211 3.039 10 5 GGBERN C[C@H](CC(F)(F)F)CS(=O)(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000594760093 567507984 /nfs/dbraw/zinc/50/79/84/567507984.db2.gz QMKPNUXIFSFMEQ-GFCCVEGCSA-N 0 0 382.404 3.425 10 5 GGBERN C[C@@H](CC(F)(F)F)CS(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594765637 567509680 /nfs/dbraw/zinc/50/96/80/567509680.db2.gz YQMPYSNUIVNTOT-NSHDSACASA-N 0 0 380.388 3.478 10 5 GGBERN C[C@@H](CC(F)(F)F)CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594767963 567510616 /nfs/dbraw/zinc/51/06/16/567510616.db2.gz YNMLSKFEIQTSPN-NSHDSACASA-N 0 0 380.388 3.478 10 5 GGBERN C[C@@H](CC(F)(F)F)CS(=O)(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594774300 567510626 /nfs/dbraw/zinc/51/06/26/567510626.db2.gz CLRMDEUYLHKMCG-NSHDSACASA-N 0 0 380.388 3.478 10 5 GGBERN C[C@]1(C2CC2)CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000594799333 567515077 /nfs/dbraw/zinc/51/50/77/567515077.db2.gz SKFRIHPDDYFUTA-CQSZACIVSA-N 0 0 395.264 3.091 10 5 GGBERN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1O ZINC000458036757 567516616 /nfs/dbraw/zinc/51/66/16/567516616.db2.gz AMEUXLQASVFKBP-OCCSQVGLSA-N 0 0 382.825 3.313 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCc1ccc(Cl)cc1 ZINC000504005539 567518046 /nfs/dbraw/zinc/51/80/46/567518046.db2.gz JLVHSHCQYZAMLK-UHFFFAOYSA-N 0 0 384.841 3.168 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@H](CCF)C1 ZINC000594855481 567521131 /nfs/dbraw/zinc/52/11/31/567521131.db2.gz DREJKSGBXPGYCU-SNVBAGLBSA-N 0 0 395.250 3.118 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H](CCF)C1 ZINC000594855480 567521366 /nfs/dbraw/zinc/52/13/66/567521366.db2.gz DREJKSGBXPGYCU-JTQLQIEISA-N 0 0 395.250 3.118 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H](CCF)C1 ZINC000594858742 567521390 /nfs/dbraw/zinc/52/13/90/567521390.db2.gz WFRSUQPEHBSCBA-JTQLQIEISA-N 0 0 384.351 3.374 10 5 GGBERN COc1cccc([C@]2(C)CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)c1 ZINC000594868026 567522241 /nfs/dbraw/zinc/52/22/41/567522241.db2.gz GMCFLSCTQPPDDH-MRXNPFEDSA-N 0 0 382.463 3.017 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2C(F)(F)F)n1 ZINC000504088105 567523241 /nfs/dbraw/zinc/52/32/41/567523241.db2.gz AYEINWBYMRVPBN-UHFFFAOYSA-N 0 0 393.119 3.362 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CCC2(CC2(F)F)CC1 ZINC000594870868 567523435 /nfs/dbraw/zinc/52/34/35/567523435.db2.gz QBMCVYCHRPMKIL-UHFFFAOYSA-N 0 0 380.800 3.495 10 5 GGBERN CC(=O)NCc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551669328 567528454 /nfs/dbraw/zinc/52/84/54/567528454.db2.gz BBKICNVXMUWSBV-UHFFFAOYSA-N 0 0 392.209 3.246 10 5 GGBERN O=C(Nc1cnc(CC2CC2)nc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000551694665 567530377 /nfs/dbraw/zinc/53/03/77/567530377.db2.gz ZPHISTTXMYXFAT-UHFFFAOYSA-N 0 0 377.198 3.352 10 5 GGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN1c1nccs1 ZINC000479386575 567530438 /nfs/dbraw/zinc/53/04/38/567530438.db2.gz ZLDBLXQGZFPDCR-ZDUSSCGKSA-N 0 0 380.857 3.032 10 5 GGBERN CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551754454 567532859 /nfs/dbraw/zinc/53/28/59/567532859.db2.gz CJIGPKVIEYEVGO-LLVKDONJSA-N 0 0 396.241 3.111 10 5 GGBERN O=c1onc(-c2cccc(Br)c2)n1Cc1csc([N+](=O)[O-])c1 ZINC000504380715 567532855 /nfs/dbraw/zinc/53/28/55/567532855.db2.gz GCPSIJRHACQZCI-UHFFFAOYSA-N 0 0 382.195 3.284 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000479412093 567533626 /nfs/dbraw/zinc/53/36/26/567533626.db2.gz AVSFRBSGTQIRMM-ABAIWWIYSA-N 0 0 390.889 3.429 10 5 GGBERN COc1cnccc1[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438606358 567537175 /nfs/dbraw/zinc/53/71/75/567537175.db2.gz IGAYWGJQNBYFPX-VIFPVBQESA-N 0 0 380.198 3.252 10 5 GGBERN O=C(c1sc2c(c1Br)CNC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595249826 567549768 /nfs/dbraw/zinc/54/97/68/567549768.db2.gz LQGAZEWIDOCJQZ-UHFFFAOYSA-N 0 0 394.250 3.225 10 5 GGBERN C[C@H](NC(=O)c1c(Cl)cccc1S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000438936536 567554364 /nfs/dbraw/zinc/55/43/64/567554364.db2.gz LFLNKUDFZKOICP-JTQLQIEISA-N 0 0 382.825 3.143 10 5 GGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(Br)cccn12 ZINC000552074330 567556741 /nfs/dbraw/zinc/55/67/41/567556741.db2.gz KMVAJLIXCTWXIT-UHFFFAOYSA-N 0 0 391.181 3.023 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595352246 567558169 /nfs/dbraw/zinc/55/81/69/567558169.db2.gz ARRPWAALBAFGLK-HZPDHXFCSA-N 0 0 384.479 3.001 10 5 GGBERN CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)(C1CC1)C1CC1 ZINC000595360822 567558742 /nfs/dbraw/zinc/55/87/42/567558742.db2.gz MNLIMZLCIUSCLJ-UHFFFAOYSA-N 0 0 389.271 3.214 10 5 GGBERN CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000595363887 567558788 /nfs/dbraw/zinc/55/87/88/567558788.db2.gz LAQDURSGVPRZOD-CYBMUJFWSA-N 0 0 377.260 3.070 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000595368957 567559049 /nfs/dbraw/zinc/55/90/49/567559049.db2.gz CHSRXAWYARIXNV-UHFFFAOYSA-N 0 0 385.829 3.113 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)COc1ccc(Br)cc1 ZINC000571422768 567560596 /nfs/dbraw/zinc/56/05/96/567560596.db2.gz QFADHBKESJFTSK-ZDUSSCGKSA-N 0 0 382.210 3.484 10 5 GGBERN C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000571424866 567562202 /nfs/dbraw/zinc/56/22/02/567562202.db2.gz NDQHWGNFJZRXAV-SNVBAGLBSA-N 0 0 392.209 3.173 10 5 GGBERN C[C@@H](NC(=O)c1cn2ccc(Br)cc2n1)c1ccccc1[N+](=O)[O-] ZINC000552140167 567563582 /nfs/dbraw/zinc/56/35/82/567563582.db2.gz SLIURDATXHOWEI-SNVBAGLBSA-N 0 0 389.209 3.496 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000439114958 567565790 /nfs/dbraw/zinc/56/57/90/567565790.db2.gz MWGXSAYTNYSWKE-UHFFFAOYSA-N 0 0 382.825 3.354 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC/C=C/c2ccccc2)c(Br)c1 ZINC000479884296 567566453 /nfs/dbraw/zinc/56/64/53/567566453.db2.gz GPHIUEKBXPFZGH-QPJJXVBHSA-N 0 0 397.250 3.349 10 5 GGBERN Cc1c(NC(=O)NCCCCn2ccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000571622039 567576247 /nfs/dbraw/zinc/57/62/47/567576247.db2.gz WBHCYUCHMLVMOQ-UHFFFAOYSA-N 0 0 396.245 3.464 10 5 GGBERN Cc1noc(CN2CCOC[C@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000595757159 567579774 /nfs/dbraw/zinc/57/97/74/567579774.db2.gz AUEWTTFIAQZGAN-ZDUSSCGKSA-N 0 0 382.214 3.227 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCOc2ccc(O)cc2C1 ZINC000595844702 567585161 /nfs/dbraw/zinc/58/51/61/567585161.db2.gz JXCGGZUNKPCBCO-UHFFFAOYSA-N 0 0 379.210 3.458 10 5 GGBERN Cc1c(Br)cc(C(=O)N[C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000505606286 567586816 /nfs/dbraw/zinc/58/68/16/567586816.db2.gz GUDLCBYRHMMKMO-GFCCVEGCSA-N 0 0 385.239 3.191 10 5 GGBERN O=C(CCC(=O)NC1CCCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552396763 567587097 /nfs/dbraw/zinc/58/70/97/567587097.db2.gz GHDDNBKDWKDORE-UHFFFAOYSA-N 0 0 384.230 3.135 10 5 GGBERN COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000530345634 567595041 /nfs/dbraw/zinc/59/50/41/567595041.db2.gz UEDWTCZYJWIOJY-VIFPVBQESA-N 0 0 382.214 3.195 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1c1ccccc1I ZINC000505779895 567597167 /nfs/dbraw/zinc/59/71/67/567597167.db2.gz ZLJAPBPWMNOZKX-LBPRGKRZSA-N 0 0 398.204 3.274 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1c1ccccc1I ZINC000505779892 567597469 /nfs/dbraw/zinc/59/74/69/567597469.db2.gz ZLJAPBPWMNOZKX-GFCCVEGCSA-N 0 0 398.204 3.274 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@]2(CCSC2)C1 ZINC000571924892 567599506 /nfs/dbraw/zinc/59/95/06/567599506.db2.gz SSCWWBGBMYAQIL-HNNXBMFYSA-N 0 0 388.898 3.075 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ncsc1Br ZINC000596038037 567601744 /nfs/dbraw/zinc/60/17/44/567601744.db2.gz HUEKNTNWMCMORK-MRVPVSSYSA-N 0 0 391.268 3.490 10 5 GGBERN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ncc(Br)cn1 ZINC000552731343 567606090 /nfs/dbraw/zinc/60/60/90/567606090.db2.gz YVUYMRVPHWUTBU-QMMMGPOBSA-N 0 0 390.197 3.120 10 5 GGBERN COC(=O)c1c(Cl)c(N[C@H]2CCN(CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596099416 567607788 /nfs/dbraw/zinc/60/77/88/567607788.db2.gz VQLCRJVDSFUREN-QMMMGPOBSA-N 0 0 381.738 3.083 10 5 GGBERN COc1cc(NCc2ccc(CS(C)(=O)=O)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000596085263 567607968 /nfs/dbraw/zinc/60/79/68/567607968.db2.gz LDXWOPOVEFKVFM-UHFFFAOYSA-N 0 0 384.841 3.414 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439930777 567608302 /nfs/dbraw/zinc/60/83/02/567608302.db2.gz FKGCCETZRFNSKZ-RYUDHWBXSA-N 0 0 383.242 3.246 10 5 GGBERN Cc1c(CNC(=O)Cc2ccc(Br)cc2O)cccc1[N+](=O)[O-] ZINC000506178233 567613039 /nfs/dbraw/zinc/61/30/39/567613039.db2.gz IUMWSHQQGROWCW-UHFFFAOYSA-N 0 0 379.210 3.230 10 5 GGBERN CCC1(CC)CN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CCS1(=O)=O ZINC000596210356 567615833 /nfs/dbraw/zinc/61/58/33/567615833.db2.gz WCTZTMDVGFOQDC-UHFFFAOYSA-N 0 0 376.862 3.050 10 5 GGBERN O=[N+]([O-])c1ccn(C2CCN(c3nc(C4CC4)ncc3Br)CC2)n1 ZINC000596214571 567615838 /nfs/dbraw/zinc/61/58/38/567615838.db2.gz VTMFPELRGADMEA-UHFFFAOYSA-N 0 0 393.245 3.063 10 5 GGBERN O=[N+]([O-])c1cccc(Br)c1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000596201501 567616101 /nfs/dbraw/zinc/61/61/01/567616101.db2.gz YTJJKVVMFXGUFK-UHFFFAOYSA-N 0 0 392.257 3.284 10 5 GGBERN COC(=O)c1c(Cl)c(N2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596229710 567617497 /nfs/dbraw/zinc/61/74/97/567617497.db2.gz DRTWDJLVGDVAJZ-GMSGAONNSA-N 0 0 382.722 3.191 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC(F)(F)C1 ZINC000596218521 567617693 /nfs/dbraw/zinc/61/76/93/567617693.db2.gz DKHRLRXSIPBIGI-LLVKDONJSA-N 0 0 377.413 3.130 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@@H]2CCCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000596240985 567618555 /nfs/dbraw/zinc/61/85/55/567618555.db2.gz KASNPBMRAVDKFK-SNVBAGLBSA-N 0 0 387.870 3.447 10 5 GGBERN COc1cc(NCc2nn(C)cc2Br)c(Cl)cc1[N+](=O)[O-] ZINC000596254048 567619000 /nfs/dbraw/zinc/61/90/00/567619000.db2.gz GQEPQULKILJQDI-UHFFFAOYSA-N 0 0 375.610 3.365 10 5 GGBERN COC(=O)c1c(Cl)c(N2CC[C@@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000596241314 567619030 /nfs/dbraw/zinc/61/90/30/567619030.db2.gz CRFRVIOEWADCEB-SNVBAGLBSA-N 0 0 385.207 3.336 10 5 GGBERN O=C([C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000530856320 567626396 /nfs/dbraw/zinc/62/63/96/567626396.db2.gz BHHVRVOLTQGJPT-GFCCVEGCSA-N 0 0 382.258 3.196 10 5 GGBERN Cc1c(Br)c(N[C@@H]2Cc3ccccc3N(C)C2=O)ncc1[N+](=O)[O-] ZINC000596363707 567626597 /nfs/dbraw/zinc/62/65/97/567626597.db2.gz VFISUSNKDVEWCV-LLVKDONJSA-N 0 0 391.225 3.060 10 5 GGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000553111397 567628629 /nfs/dbraw/zinc/62/86/29/567628629.db2.gz JAMWRPVEETXBQG-VIFPVBQESA-N 0 0 376.829 3.339 10 5 GGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000506509835 567628869 /nfs/dbraw/zinc/62/88/69/567628869.db2.gz GDFBJACKVREIHO-AWEZNQCLSA-N 0 0 378.372 3.236 10 5 GGBERN NS(=O)(=O)c1c(N[C@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000530910512 567631616 /nfs/dbraw/zinc/63/16/16/567631616.db2.gz PXHVFUFDIVXFIP-HNNXBMFYSA-N 0 0 381.841 3.459 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000596430994 567632700 /nfs/dbraw/zinc/63/27/00/567632700.db2.gz LFAOEGJLYIUESJ-LLVKDONJSA-N 0 0 384.483 3.255 10 5 GGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1cscn1 ZINC000596434364 567632753 /nfs/dbraw/zinc/63/27/53/567632753.db2.gz XLIAYVAMTRQSEZ-NSHDSACASA-N 0 0 382.467 3.009 10 5 GGBERN Cc1cc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000596465705 567634901 /nfs/dbraw/zinc/63/49/01/567634901.db2.gz MWATWWSULISAKG-UWVGGRQHSA-N 0 0 377.260 3.043 10 5 GGBERN C[C@@]12COC[C@@H]1CN(c1c3cc(Br)ccc3ncc1[N+](=O)[O-])C2 ZINC000596482484 567635362 /nfs/dbraw/zinc/63/53/62/567635362.db2.gz KTRKYRDITINACD-MGPLVRAMSA-N 0 0 378.226 3.378 10 5 GGBERN Cn1cc(C[C@@H]2CCC[C@H]2Nc2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000596486799 567636089 /nfs/dbraw/zinc/63/60/89/567636089.db2.gz CJBHVASKMPRIBB-SMDDNHRTSA-N 0 0 380.246 3.309 10 5 GGBERN Cn1cc(C[C@H]2CCC[C@@H]2Nc2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000596486798 567636345 /nfs/dbraw/zinc/63/63/45/567636345.db2.gz CJBHVASKMPRIBB-RISCZKNCSA-N 0 0 380.246 3.309 10 5 GGBERN Cc1c(Br)c(N2CCO[C@@H](C(F)(F)F)[C@H]2C)ncc1[N+](=O)[O-] ZINC000596503018 567636837 /nfs/dbraw/zinc/63/68/37/567636837.db2.gz PHCVOESKEPWVFI-GMSGAONNSA-N 0 0 384.152 3.217 10 5 GGBERN CC(C)[C@@H](O)[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000596516657 567637250 /nfs/dbraw/zinc/63/72/50/567637250.db2.gz GOPWTWXACMPMIH-LSDHHAIUSA-N 0 0 384.479 3.230 10 5 GGBERN COC(=O)c1c(Cl)c(N2CCO[C@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596504665 567637309 /nfs/dbraw/zinc/63/73/09/567637309.db2.gz UYJLZIRSFDYVGD-MADCSZMMSA-N 0 0 382.722 3.191 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H]2COC[C@H]2C1 ZINC000596530032 567639032 /nfs/dbraw/zinc/63/90/32/567639032.db2.gz SZNNJWCKUDIHPO-WDEREUQCSA-N 0 0 378.226 3.378 10 5 GGBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H](CC(F)(F)F)O1 ZINC000596553093 567639091 /nfs/dbraw/zinc/63/90/91/567639091.db2.gz FAKZMPAOQPCRAH-VXNVDRBHSA-N 0 0 384.152 3.298 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H]2COC[C@@H]2C1 ZINC000596530030 567639103 /nfs/dbraw/zinc/63/91/03/567639103.db2.gz SZNNJWCKUDIHPO-MNOVXSKESA-N 0 0 378.226 3.378 10 5 GGBERN COC(=O)c1sc2c(c1Br)CN(c1ccc([N+](=O)[O-])c(C)n1)C2 ZINC000596566006 567639791 /nfs/dbraw/zinc/63/97/91/567639791.db2.gz JTTDNNXOMXQTSJ-UHFFFAOYSA-N 0 0 398.238 3.429 10 5 GGBERN COC(=O)c1c(Cl)c(N2CCO[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596559160 567639906 /nfs/dbraw/zinc/63/99/06/567639906.db2.gz XOCWVJSUCCBNGL-QMMMGPOBSA-N 0 0 382.722 3.192 10 5 GGBERN COC(=O)c1sc2c(c1Br)CN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC000596564998 567640140 /nfs/dbraw/zinc/64/01/40/567640140.db2.gz FMHITMTUBMHEIC-UHFFFAOYSA-N 0 0 398.238 3.429 10 5 GGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCOc2cc(Br)ccc2C1 ZINC000596558241 567640299 /nfs/dbraw/zinc/64/02/99/567640299.db2.gz YGZPHDHNBOBOBV-UHFFFAOYSA-N 0 0 381.230 3.281 10 5 GGBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596572997 567641186 /nfs/dbraw/zinc/64/11/86/567641186.db2.gz RMRFOYPSVKFTHJ-ANRSDYALSA-N 0 0 378.759 3.284 10 5 GGBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596572999 567641687 /nfs/dbraw/zinc/64/16/87/567641687.db2.gz RMRFOYPSVKFTHJ-GLEZIHRCSA-N 0 0 378.759 3.284 10 5 GGBERN COC(=O)c1cnc([C@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC000596566468 567641793 /nfs/dbraw/zinc/64/17/93/567641793.db2.gz GQYKMICJZQLHDC-VIFPVBQESA-N 0 0 382.829 3.270 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC3(CCC3)[C@@H]2c2ccncc2)s1 ZINC000596572543 567641809 /nfs/dbraw/zinc/64/18/09/567641809.db2.gz FNPPEUVKEQDXSQ-AWEZNQCLSA-N 0 0 379.463 3.186 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncsc1Br ZINC000572679570 567657912 /nfs/dbraw/zinc/65/79/12/567657912.db2.gz DWAZGCWAOCLGDB-UHFFFAOYSA-N 0 0 395.238 3.268 10 5 GGBERN CNC(=O)C[C@@H](Nc1ncc([N+](=O)[O-])c(C)c1Br)c1ccccc1 ZINC000481113761 567659569 /nfs/dbraw/zinc/65/95/69/567659569.db2.gz RIYSCHCIDPHYIZ-GFCCVEGCSA-N 0 0 393.241 3.350 10 5 GGBERN Cc1c(NC(=O)NC[C@@H](CO)CC2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000596888378 567662071 /nfs/dbraw/zinc/66/20/71/567662071.db2.gz PRMYYQGLKPNZNO-NSHDSACASA-N 0 0 386.246 3.196 10 5 GGBERN Cc1nnc(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)o1 ZINC000596887438 567662106 /nfs/dbraw/zinc/66/21/06/567662106.db2.gz CHYUGXWFLKDMTG-UHFFFAOYSA-N 0 0 384.190 3.021 10 5 GGBERN Cc1c(NC(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596888375 567662317 /nfs/dbraw/zinc/66/23/17/567662317.db2.gz PQTACSBZYWKAHV-QRJZZWFUSA-N 0 0 386.246 3.146 10 5 GGBERN C[C@]1(C2CC2)CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000596899343 567662601 /nfs/dbraw/zinc/66/26/01/567662601.db2.gz FSNHAXFGSRTLGB-OAHLLOKOSA-N 0 0 384.230 3.390 10 5 GGBERN Cc1c(NC(=O)NCCO[C@@H]2CC2(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000596889132 567662611 /nfs/dbraw/zinc/66/26/11/567662611.db2.gz UJISJOKKGHMXQG-LLVKDONJSA-N 0 0 394.172 3.211 10 5 GGBERN Cc1c(NC(=O)N[C@H]2C[C@H](C)n3ncnc32)cc(Br)cc1[N+](=O)[O-] ZINC000596889150 567662662 /nfs/dbraw/zinc/66/26/62/567662662.db2.gz VAAQOGXYOFBTAY-CPCISQLKSA-N 0 0 395.217 3.085 10 5 GGBERN Cc1ccncc1CN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000481237439 567663918 /nfs/dbraw/zinc/66/39/18/567663918.db2.gz REAQWUKNQUCLEX-UHFFFAOYSA-N 0 0 390.248 3.426 10 5 GGBERN Cc1cc(Br)cc(C)c1S(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC000507317380 567673628 /nfs/dbraw/zinc/67/36/28/567673628.db2.gz JIELVQARKCMURC-UHFFFAOYSA-N 0 0 399.266 3.453 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000572931204 567675426 /nfs/dbraw/zinc/67/54/26/567675426.db2.gz IHQIILUNBJLWSL-LSDHHAIUSA-N 0 0 376.210 3.347 10 5 GGBERN C[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@](C)(C(F)F)O1 ZINC000597092586 567680942 /nfs/dbraw/zinc/68/09/42/567680942.db2.gz OLBILJWSVNRQJB-WJWGPLDTSA-N 0 0 378.763 3.107 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(CC(F)F)CC1CCC1 ZINC000442012681 567680833 /nfs/dbraw/zinc/68/08/33/567680833.db2.gz PCMPQWMAIMLRKB-UHFFFAOYSA-N 0 0 375.759 3.081 10 5 GGBERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105102 567681221 /nfs/dbraw/zinc/68/12/21/567681221.db2.gz WHTSPMHXHVZFBK-PQIHIXOVSA-N 0 0 388.877 3.032 10 5 GGBERN C[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@](C)(C(F)F)O1 ZINC000597092566 567681330 /nfs/dbraw/zinc/68/13/30/567681330.db2.gz OLBILJWSVNRQJB-JKYUHCHBSA-N 0 0 378.763 3.107 10 5 GGBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1Br ZINC000531878343 567684498 /nfs/dbraw/zinc/68/44/98/567684498.db2.gz FAVOLZBJKIZYIU-VIFPVBQESA-N 0 0 380.198 3.252 10 5 GGBERN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887947 567684516 /nfs/dbraw/zinc/68/45/16/567684516.db2.gz IMNWDIFVJMJNCI-UHFFFAOYSA-N 0 0 383.191 3.007 10 5 GGBERN CCOc1ccc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000507557615 567686054 /nfs/dbraw/zinc/68/60/54/567686054.db2.gz XNQHECONRZAZPQ-NSHDSACASA-N 0 0 375.328 3.483 10 5 GGBERN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc(Br)c1 ZINC000481570162 567689738 /nfs/dbraw/zinc/68/97/38/567689738.db2.gz MEHDUKHKCHVRIV-UHFFFAOYSA-N 0 0 393.197 3.118 10 5 GGBERN Cc1sc(S(=O)(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000481590812 567690802 /nfs/dbraw/zinc/69/08/02/567690802.db2.gz HFQPOLRLRHAYIY-MRXNPFEDSA-N 0 0 384.454 3.456 10 5 GGBERN CCOC(=O)CN(CC(F)(F)F)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000460464049 567690763 /nfs/dbraw/zinc/69/07/63/567690763.db2.gz ATGDVKMHEUUGEV-UHFFFAOYSA-N 0 0 382.722 3.124 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000460482068 567690969 /nfs/dbraw/zinc/69/09/69/567690969.db2.gz YAJGLHXCLVXNNX-UHFFFAOYSA-N 0 0 388.232 3.044 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)NCCC2(F)CCC2)cc1[N+](=O)[O-] ZINC000553886704 567695972 /nfs/dbraw/zinc/69/59/72/567695972.db2.gz NMAFTXPPXXBFPY-UHFFFAOYSA-N 0 0 395.250 3.226 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(F)cc1Br ZINC000481706696 567697208 /nfs/dbraw/zinc/69/72/08/567697208.db2.gz KGHKALBHJYHDGX-UHFFFAOYSA-N 0 0 382.189 3.472 10 5 GGBERN O=C(Nc1ccccc1-n1cc(Br)cn1)c1ccc([N+](=O)[O-])cn1 ZINC000532137116 567698450 /nfs/dbraw/zinc/69/84/50/567698450.db2.gz ILACFOOGORCMRN-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532136961 567698969 /nfs/dbraw/zinc/69/89/69/567698969.db2.gz XMPBBAVFLOSKEB-UHFFFAOYSA-N 0 0 378.841 3.449 10 5 GGBERN C[C@@H]1CN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000507755277 567703303 /nfs/dbraw/zinc/70/33/03/567703303.db2.gz CMSKYAUEQLWFRQ-LLVKDONJSA-N 0 0 378.479 3.094 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2oc(=O)[nH]c2c1 ZINC000553997085 567705069 /nfs/dbraw/zinc/70/50/69/567705069.db2.gz RPTMHCJGGCQFJM-UHFFFAOYSA-N 0 0 378.138 3.456 10 5 GGBERN Cc1c(NC(=O)Cn2cc(C3CC3)cn2)cc(Br)cc1[N+](=O)[O-] ZINC000597609729 567707657 /nfs/dbraw/zinc/70/76/57/567707657.db2.gz MMPJBEZYQPILDC-UHFFFAOYSA-N 0 0 379.214 3.378 10 5 GGBERN CCOCCOCCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000597631083 567708704 /nfs/dbraw/zinc/70/87/04/567708704.db2.gz HMJXDZCVDHAUIW-UHFFFAOYSA-N 0 0 375.219 3.129 10 5 GGBERN CC(C)[C@H](NCC(F)(F)F)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000597631618 567708767 /nfs/dbraw/zinc/70/87/67/567708767.db2.gz LNTBQEJKAUPPDK-NSHDSACASA-N 0 0 398.179 3.472 10 5 GGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1Br ZINC000597616168 567709052 /nfs/dbraw/zinc/70/90/52/567709052.db2.gz GJKCTMXFCRTDSE-FZMZJTMJSA-N 0 0 376.210 3.286 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729868 567714273 /nfs/dbraw/zinc/71/42/73/567714273.db2.gz QWNDTOIHXJOMFM-AWEZNQCLSA-N 0 0 379.214 3.366 10 5 GGBERN Cc1[nH]nc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1Br ZINC000597731866 567715151 /nfs/dbraw/zinc/71/51/51/567715151.db2.gz QBLXKLMZMZZIBR-UHFFFAOYSA-N 0 0 382.218 3.220 10 5 GGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][nH]c(C)c1Br ZINC000597731901 567715583 /nfs/dbraw/zinc/71/55/83/567715583.db2.gz QPRMWSYPGUOYIM-LLVKDONJSA-N 0 0 381.230 3.018 10 5 GGBERN O=C(NCc1ccc2cc[nH]c2n1)c1ccc([N+](=O)[O-])cc1Br ZINC000461099863 567720060 /nfs/dbraw/zinc/72/00/60/567720060.db2.gz UZOASFMPIXYNBM-UHFFFAOYSA-N 0 0 375.182 3.164 10 5 GGBERN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccn1 ZINC000597863952 567721011 /nfs/dbraw/zinc/72/10/11/567721011.db2.gz KBTIWTFHAWJLKJ-LLVKDONJSA-N 0 0 378.226 3.215 10 5 GGBERN CC(C)OC[C@H](O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000508167609 567734345 /nfs/dbraw/zinc/73/43/45/567734345.db2.gz YMIXMBHRVBVWKA-NSHDSACASA-N 0 0 385.214 3.070 10 5 GGBERN COCC1(C2CCC2)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000598061973 567737205 /nfs/dbraw/zinc/73/72/05/567737205.db2.gz SRGHWRKJSLFQJX-UHFFFAOYSA-N 0 0 383.242 3.246 10 5 GGBERN Cc1c(Br)cc(C(=O)N2C[C@]3(C)COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000598066997 567737484 /nfs/dbraw/zinc/73/74/84/567737484.db2.gz IZLYBKLPPMTXNQ-IYBDPMFKSA-N 0 0 383.242 3.164 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@H]1CC1CCC1 ZINC000573837523 567739176 /nfs/dbraw/zinc/73/91/76/567739176.db2.gz VFXOTRPQHBAEQQ-OAHLLOKOSA-N 0 0 397.269 3.317 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000598183957 567743267 /nfs/dbraw/zinc/74/32/67/567743267.db2.gz CQWQVPQGPBKMQA-MRXNPFEDSA-N 0 0 383.242 3.043 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000598191392 567745022 /nfs/dbraw/zinc/74/50/22/567745022.db2.gz QJVVPWNDELPOJE-CQSZACIVSA-N 0 0 384.219 3.411 10 5 GGBERN Cn1c(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC000598194374 567745882 /nfs/dbraw/zinc/74/58/82/567745882.db2.gz GJRKVCWKJBPFRN-GFCCVEGCSA-N 0 0 396.266 3.414 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cncc(Br)c1 ZINC000554734855 567746705 /nfs/dbraw/zinc/74/67/05/567746705.db2.gz RAUVRAPHBYPZAV-UHFFFAOYSA-N 0 0 389.209 3.206 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)c3ccc(Br)cc32)n1 ZINC000598232972 567749655 /nfs/dbraw/zinc/74/96/55/567749655.db2.gz JKXSYTVHEDNBBQ-UHFFFAOYSA-N 0 0 379.214 3.029 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000461890254 567751674 /nfs/dbraw/zinc/75/16/74/567751674.db2.gz MJHYBBZKSBFVAP-UMSPYCQHSA-N 0 0 391.225 3.209 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3C[C@H](c4ccc(Br)cc4)C3)nn21 ZINC000461890659 567752202 /nfs/dbraw/zinc/75/22/02/567752202.db2.gz NXNHLEYZOITCIQ-AULYBMBSSA-N 0 0 388.225 3.180 10 5 GGBERN Cn1ncc(C2CCC2)c1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598317175 567756155 /nfs/dbraw/zinc/75/61/55/567756155.db2.gz YHNJHUOIJVIYOQ-UHFFFAOYSA-N 0 0 393.241 3.288 10 5 GGBERN C[C@@H]1COC2(CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598351703 567758944 /nfs/dbraw/zinc/75/89/44/567758944.db2.gz MLEJLDQOFXKKHB-GFCCVEGCSA-N 0 0 397.269 3.460 10 5 GGBERN O=C(NCC1(O)CCC(F)(F)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598423811 567765115 /nfs/dbraw/zinc/76/51/15/567765115.db2.gz VWSDFEKPLTZMOW-UHFFFAOYSA-N 0 0 393.184 3.028 10 5 GGBERN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000598427584 567766579 /nfs/dbraw/zinc/76/65/79/567766579.db2.gz HEAFRKZLTWNORT-ZDUSSCGKSA-N 0 0 395.257 3.325 10 5 GGBERN Cc1sc(C(=O)NCCN2CCc3c(Cl)cccc3C2)cc1[N+](=O)[O-] ZINC000443571148 567767012 /nfs/dbraw/zinc/76/70/12/567767012.db2.gz YEHFAKQOEGCKFP-UHFFFAOYSA-N 0 0 379.869 3.406 10 5 GGBERN O=C(N[C@H]1CCCCc2cc(Br)ccc21)c1[nH]ncc1[N+](=O)[O-] ZINC000598453480 567770082 /nfs/dbraw/zinc/77/00/82/567770082.db2.gz QQUBSAXCKRFQTM-LBPRGKRZSA-N 0 0 379.214 3.278 10 5 GGBERN CN(CCOc1cccc(Cl)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443701779 567770824 /nfs/dbraw/zinc/77/08/24/567770824.db2.gz ZRMVMSUNMUTBFY-UHFFFAOYSA-N 0 0 384.841 3.089 10 5 GGBERN CN(Cc1cccc(Br)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443688293 567771341 /nfs/dbraw/zinc/77/13/41/567771341.db2.gz ZBMCWHOMZJCGLS-UHFFFAOYSA-N 0 0 399.266 3.319 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1 ZINC000598509391 567772303 /nfs/dbraw/zinc/77/23/03/567772303.db2.gz UASYVKTUQLJSNN-NXEZZACHSA-N 0 0 378.372 3.499 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000598509395 567772666 /nfs/dbraw/zinc/77/26/66/567772666.db2.gz UASYVKTUQLJSNN-ZJUUUORDSA-N 0 0 378.372 3.499 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000443759062 567774439 /nfs/dbraw/zinc/77/44/39/567774439.db2.gz NMYQIGVFFZNESU-AAEUAGOBSA-N 0 0 380.388 3.383 10 5 GGBERN CO[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000443754605 567774707 /nfs/dbraw/zinc/77/47/07/567774707.db2.gz JWXCRCCHZZEOBT-INIZCTEOSA-N 0 0 384.841 3.055 10 5 GGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@](C)(C(F)F)O1 ZINC000598562198 567776377 /nfs/dbraw/zinc/77/63/77/567776377.db2.gz CAAPLAOSCAWMQL-CLAHSXSESA-N 0 0 393.184 3.242 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCOc2c(Cl)cc(Br)cc21 ZINC000555280150 567777191 /nfs/dbraw/zinc/77/71/91/567777191.db2.gz CJWKKNULBKGJGQ-UHFFFAOYSA-N 0 0 398.600 3.445 10 5 GGBERN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000598566807 567777346 /nfs/dbraw/zinc/77/73/46/567777346.db2.gz ZYZRRELIFANDEW-RMLUDKJBSA-N 0 0 393.184 3.242 10 5 GGBERN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000598566698 567777353 /nfs/dbraw/zinc/77/73/53/567777353.db2.gz YXPDZULMMOBLAN-CLAHSXSESA-N 0 0 393.184 3.242 10 5 GGBERN Cc1ccc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598612568 567779366 /nfs/dbraw/zinc/77/93/66/567779366.db2.gz XNQSIVBCCXRNRV-NSHDSACASA-N 0 0 395.384 3.250 10 5 GGBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(Br)cc1O ZINC000555353523 567779884 /nfs/dbraw/zinc/77/98/84/567779884.db2.gz UUVDPRBAJVFBEA-UHFFFAOYSA-N 0 0 393.237 3.307 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@H](C)[C@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000598655627 567781097 /nfs/dbraw/zinc/78/10/97/567781097.db2.gz XIBHZFDEZGHPDB-KOLCDFICSA-N 0 0 386.246 3.148 10 5 GGBERN COC[C@@](C)(NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(F)(F)F ZINC000443961216 567782471 /nfs/dbraw/zinc/78/24/71/567782471.db2.gz KUFZWIUCFHWNSY-CYBMUJFWSA-N 0 0 382.360 3.023 10 5 GGBERN COC[C@](C)(NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(F)(F)F ZINC000443961218 567782644 /nfs/dbraw/zinc/78/26/44/567782644.db2.gz KUFZWIUCFHWNSY-ZDUSSCGKSA-N 0 0 382.360 3.023 10 5 GGBERN O=C(Nc1cnn(-c2ccccc2Br)c1)c1ccc([N+](=O)[O-])cn1 ZINC000533701451 567783287 /nfs/dbraw/zinc/78/32/87/567783287.db2.gz FSPVMAJOBRDAEO-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN COC(=O)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000598865569 567794917 /nfs/dbraw/zinc/79/49/17/567794917.db2.gz YBQASDHLNZECLU-UHFFFAOYSA-N 0 0 399.241 3.305 10 5 GGBERN Cc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(N(C)C)nn1 ZINC000598856296 567795250 /nfs/dbraw/zinc/79/52/50/567795250.db2.gz MQUDNIIHXZECHM-UHFFFAOYSA-N 0 0 381.845 3.143 10 5 GGBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(N(C)C)nn1 ZINC000598857565 567795506 /nfs/dbraw/zinc/79/55/06/567795506.db2.gz ZBJMFTLWXXRACU-UHFFFAOYSA-N 0 0 394.229 3.082 10 5 GGBERN Cn1cc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccc(Cl)cc21 ZINC000444213184 567797172 /nfs/dbraw/zinc/79/71/72/567797172.db2.gz MTSXIXDQPAXMQR-UHFFFAOYSA-N 0 0 399.881 3.322 10 5 GGBERN O=[N+]([O-])c1ccc2oc(CN3CCc4nccc(Br)c4C3)nc2c1 ZINC000598944899 567799841 /nfs/dbraw/zinc/79/98/41/567799841.db2.gz CHGFUEJDXSUDPB-UHFFFAOYSA-N 0 0 389.209 3.452 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CN1CCc2nccc(Br)c2C1 ZINC000598945138 567799869 /nfs/dbraw/zinc/79/98/69/567799869.db2.gz FGTKWPSYRLMMEF-UHFFFAOYSA-N 0 0 378.226 3.319 10 5 GGBERN O=[N+]([O-])c1ccc(OCCN2CCc3nccc(Br)c3C2)cc1 ZINC000598946015 567800089 /nfs/dbraw/zinc/80/00/89/567800089.db2.gz NWFACPGFODCVKD-UHFFFAOYSA-N 0 0 378.226 3.189 10 5 GGBERN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000534134108 567801625 /nfs/dbraw/zinc/80/16/25/567801625.db2.gz BDMAKVWKRZVDIG-MRXNPFEDSA-N 0 0 392.253 3.356 10 5 GGBERN Cc1c(Br)c(NC[C@H](n2cccn2)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000599115527 567806255 /nfs/dbraw/zinc/80/62/55/567806255.db2.gz BRRNZRBHVWTTNQ-VIFPVBQESA-N 0 0 394.151 3.473 10 5 GGBERN Cc1c(Br)c(NCc2c(C(F)(F)F)cnn2C)ncc1[N+](=O)[O-] ZINC000599124944 567806272 /nfs/dbraw/zinc/80/62/72/567806272.db2.gz UYXYDZJJYNOOFE-UHFFFAOYSA-N 0 0 394.151 3.425 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)s1 ZINC000599123908 567806337 /nfs/dbraw/zinc/80/63/37/567806337.db2.gz UXGWCFHRIKWKMJ-DDTOSNHZSA-N 0 0 384.866 3.463 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)s1 ZINC000599167763 567808476 /nfs/dbraw/zinc/80/84/76/567808476.db2.gz YHKNXYJYLWHIIM-BIGNPOOSSA-N 0 0 384.866 3.463 10 5 GGBERN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000599164945 567808516 /nfs/dbraw/zinc/80/85/16/567808516.db2.gz MOERDGNREOFPBK-GWCFXTLKSA-N 0 0 387.230 3.128 10 5 GGBERN NS(=O)(=O)c1c(N[C@H]2CCCc3ccc(Cl)cc32)cccc1[N+](=O)[O-] ZINC000599174597 567808545 /nfs/dbraw/zinc/80/85/45/567808545.db2.gz UHGDZTBRVGKZBI-ZDUSSCGKSA-N 0 0 381.841 3.385 10 5 GGBERN COC(=O)c1cc(C)nc(NCc2csc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000599183087 567809499 /nfs/dbraw/zinc/80/94/99/567809499.db2.gz GFZNINJJADFORY-UHFFFAOYSA-N 0 0 375.328 3.199 10 5 GGBERN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCCc2ccc(Cl)cc21 ZINC000599174683 567809548 /nfs/dbraw/zinc/80/95/48/567809548.db2.gz YKUKUQPPAJEGMM-AWEZNQCLSA-N 0 0 381.841 3.385 10 5 GGBERN COc1cc(OCC(=O)N2CCc3sc(Cl)cc3C2)ccc1[N+](=O)[O-] ZINC000575048494 567810517 /nfs/dbraw/zinc/81/05/17/567810517.db2.gz WKGCLNNZUKCNFZ-UHFFFAOYSA-N 0 0 382.825 3.282 10 5 GGBERN CC(C)C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599241801 567811220 /nfs/dbraw/zinc/81/12/20/567811220.db2.gz DHQSHBWJDGEKLA-ZDUSSCGKSA-N 0 0 386.861 3.047 10 5 GGBERN CCCCc1nc(C)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000048340986 570239098 /nfs/dbraw/zinc/23/90/98/570239098.db2.gz KLRRGERXXQSCPZ-UHFFFAOYSA-N 0 0 389.481 3.060 10 5 GGBERN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000006084639 570239609 /nfs/dbraw/zinc/23/96/09/570239609.db2.gz JRJUZZQHAFEQGQ-UHFFFAOYSA-N 0 0 388.376 3.065 10 5 GGBERN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012825306 570262329 /nfs/dbraw/zinc/26/23/29/570262329.db2.gz AKSYBSLVOBPTPM-UHFFFAOYSA-N 0 0 387.392 3.067 10 5 GGBERN COc1cc2nc(CN(C)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC ZINC000049581068 570271241 /nfs/dbraw/zinc/27/12/41/570271241.db2.gz YCRSYFQMOLQUPG-GFCCVEGCSA-N 0 0 398.419 3.042 10 5 GGBERN CCCOc1ccccc1OCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005769309 570276567 /nfs/dbraw/zinc/27/65/67/570276567.db2.gz SXKOUBGPRLVPML-UHFFFAOYSA-N 0 0 387.388 3.497 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2ccccc2C(=O)NC2CC2)c1C ZINC000010760033 570291375 /nfs/dbraw/zinc/29/13/75/570291375.db2.gz WNGYYOMXXCMKTI-UHFFFAOYSA-N 0 0 382.420 3.154 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000004853754 570348374 /nfs/dbraw/zinc/34/83/74/570348374.db2.gz YSVZYMDNDXYVJK-LJQANCHMSA-N 0 0 383.429 3.190 10 5 GGBERN Cc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004854085 570348809 /nfs/dbraw/zinc/34/88/09/570348809.db2.gz OUHQNHUVSMVCDX-HXUWFJFHSA-N 0 0 397.456 3.499 10 5 GGBERN Cc1cc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)n(-c2ccccc2)n1 ZINC000004873907 570352637 /nfs/dbraw/zinc/35/26/37/570352637.db2.gz OUBWXYZDKKUDLP-UHFFFAOYSA-N 0 0 382.424 3.321 10 5 GGBERN COc1ccc(NC(=O)CCCn2nc([N+](=O)[O-])c(Cl)c2C)cc1OC ZINC000004873719 570352728 /nfs/dbraw/zinc/35/27/28/570352728.db2.gz CKZIUJLPWGKYIP-UHFFFAOYSA-N 0 0 382.804 3.189 10 5 GGBERN CC1=Nc2ncnn2[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC1CCCCC1 ZINC000004875843 570353170 /nfs/dbraw/zinc/35/31/70/570353170.db2.gz PSUSBOPMNDTESV-QGZVFWFLSA-N 0 0 383.408 3.351 10 5 GGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 ZINC000010903861 570361288 /nfs/dbraw/zinc/36/12/88/570361288.db2.gz CVPIBMAPEJQVCK-UHFFFAOYSA-N 0 0 395.887 3.491 10 5 GGBERN COc1ccc2cc3c(N)nn(C(=O)c4ccc([N+](=O)[O-])cc4Cl)c3nc2c1 ZINC000004939950 570376231 /nfs/dbraw/zinc/37/62/31/570376231.db2.gz UXGVEJPIJXPIBX-UHFFFAOYSA-N 0 0 397.778 3.425 10 5 GGBERN O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000004979644 570388614 /nfs/dbraw/zinc/38/86/14/570388614.db2.gz XHQQEVJAQPUENR-UHFFFAOYSA-N 0 0 391.383 3.427 10 5 GGBERN COC(=O)c1cc(C(=O)Nc2nc3ccc(F)cc3s2)cc([N+](=O)[O-])c1 ZINC000006343086 570391749 /nfs/dbraw/zinc/39/17/49/570391749.db2.gz MUFACDPIFPEPAD-UHFFFAOYSA-N 0 0 375.337 3.383 10 5 GGBERN O=[N+]([O-])c1ccc(N2N=N[C@H]3[C@@H]4C[C@@H]([C@H]5C=CC[C@@H]54)[C@]32N2CCOCC2)cc1 ZINC000035588673 570402135 /nfs/dbraw/zinc/40/21/35/570402135.db2.gz YXPBMFDBEUUTDY-CFSBILQPSA-N 0 0 381.436 3.021 10 5 GGBERN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1cccc([N+](=O)[O-])c1 ZINC000005139986 570425434 /nfs/dbraw/zinc/42/54/34/570425434.db2.gz LUMQNIQNSLQDBH-UHFFFAOYSA-N 0 0 378.388 3.283 10 5 GGBERN CN(C)[C@@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000005200248 570500658 /nfs/dbraw/zinc/50/06/58/570500658.db2.gz YMIUTQPPEVLMNB-SFHVURJKSA-N 0 0 386.452 3.211 10 5 GGBERN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000006611416 570504042 /nfs/dbraw/zinc/50/40/42/570504042.db2.gz XCLQLHCZRPEYJI-GJZGRUSLSA-N 0 0 391.468 3.102 10 5 GGBERN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC1CCCCCC1 ZINC000006611481 570504220 /nfs/dbraw/zinc/50/42/20/570504220.db2.gz WIJMGCMZRKWYSX-UHFFFAOYSA-N 0 0 391.468 3.437 10 5 GGBERN CCCCn1c(=O)nc2n(-c3ccc(OC)cc3)c3ccccc3cc-2c1=O ZINC000005200686 570504790 /nfs/dbraw/zinc/50/47/90/570504790.db2.gz JBZGDVJPCJXLLQ-UHFFFAOYSA-N 0 0 375.428 3.461 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCCc1ccccc1 ZINC000005207248 570506496 /nfs/dbraw/zinc/50/64/96/570506496.db2.gz NRBJJXITPSBPSP-UHFFFAOYSA-N 0 0 376.434 3.001 10 5 GGBERN CN1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000072305271 570518949 /nfs/dbraw/zinc/51/89/49/570518949.db2.gz KUBHXSFLOIYSMD-UHFFFAOYSA-N 0 0 378.791 3.282 10 5 GGBERN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000064819671 570554507 /nfs/dbraw/zinc/55/45/07/570554507.db2.gz JCJJDJMAKQRUEE-INIZCTEOSA-N 0 0 390.739 3.396 10 5 GGBERN COc1ccc(OCc2nc(N)nc(Nc3ccc(C)cc3)n2)c([N+](=O)[O-])c1 ZINC000005321556 570558011 /nfs/dbraw/zinc/55/80/11/570558011.db2.gz NRBYVNOHMGWQQD-UHFFFAOYSA-N 0 0 382.380 3.002 10 5 GGBERN CN(Cc1ccco1)C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005449702 570595535 /nfs/dbraw/zinc/59/55/35/570595535.db2.gz CDYHHSBHUXGTKU-UHFFFAOYSA-N 0 0 384.344 3.263 10 5 GGBERN CCCC[C@H](C(=O)Nc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000005597351 570665345 /nfs/dbraw/zinc/66/53/45/570665345.db2.gz OGVUVMNULLGJOH-MRXNPFEDSA-N 0 0 381.388 3.388 10 5 GGBERN CCCC[C@@H](C(=O)Nc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000005597334 570665493 /nfs/dbraw/zinc/66/54/93/570665493.db2.gz OGVUVMNULLGJOH-INIZCTEOSA-N 0 0 381.388 3.388 10 5 GGBERN O=c1c(SCc2cccc([N+](=O)[O-])c2)nccn1-c1ccc2c(c1)OCCO2 ZINC000033039898 570678574 /nfs/dbraw/zinc/67/85/74/570678574.db2.gz XCHSPJMJFZSDRN-UHFFFAOYSA-N 0 0 397.412 3.204 10 5 GGBERN COC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000006940701 570714670 /nfs/dbraw/zinc/71/46/70/570714670.db2.gz ZVAVAQHTEZYSDP-NSHDSACASA-N 0 0 399.856 3.305 10 5 GGBERN COc1cc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC ZINC000004644381 570776131 /nfs/dbraw/zinc/77/61/31/570776131.db2.gz FQFMQYNZTWHORS-VGOFMYFVSA-N 0 0 398.371 3.274 10 5 GGBERN COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1 ZINC000007073935 570784954 /nfs/dbraw/zinc/78/49/54/570784954.db2.gz UAFLPBGZWXYFFG-SNVBAGLBSA-N 0 0 376.340 3.020 10 5 GGBERN COc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000005828869 570795850 /nfs/dbraw/zinc/79/58/50/570795850.db2.gz JABSQFRNDDDDIP-UHFFFAOYSA-N 0 0 377.422 3.132 10 5 GGBERN C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 ZINC000005832737 570796224 /nfs/dbraw/zinc/79/62/24/570796224.db2.gz UNBVRMVTBPLRDD-CQSZACIVSA-N 0 0 397.431 3.490 10 5 GGBERN O=C(Nc1ncc([N+](=O)[O-])s1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000005853202 570797157 /nfs/dbraw/zinc/79/71/57/570797157.db2.gz YYOBDOOTJYPTTL-UHFFFAOYSA-N 0 0 393.384 3.003 10 5 GGBERN O=C(CNc1cccc(Cl)c1N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000032770383 570804342 /nfs/dbraw/zinc/80/43/42/570804342.db2.gz CBGOMSHZFIZWAU-UHFFFAOYSA-N 0 0 390.827 3.135 10 5 GGBERN COC(=O)c1ccc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000004671583 570820344 /nfs/dbraw/zinc/82/03/44/570820344.db2.gz BBTRLXYJZWAPTM-OUCADQQQSA-N 0 0 380.466 3.414 10 5 GGBERN COc1cc(NC(=O)CSc2nc(C)c(C)c(C)n2)c(C)cc1[N+](=O)[O-] ZINC000007253537 570820871 /nfs/dbraw/zinc/82/08/71/570820871.db2.gz HVASZOOPXOTOIQ-UHFFFAOYSA-N 0 0 376.438 3.358 10 5 GGBERN COc1ccc(CCCN(C)c2nc3sccn3c2[N+](=O)[O-])cc1OC ZINC000032806447 570822745 /nfs/dbraw/zinc/82/27/45/570822745.db2.gz ZLGFMKDKZDQTMG-UHFFFAOYSA-N 0 0 376.438 3.390 10 5 GGBERN CCNc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000032809020 570823121 /nfs/dbraw/zinc/82/31/21/570823121.db2.gz DEWPCGNSAVEMLL-HNNXBMFYSA-N 0 0 380.408 3.047 10 5 GGBERN O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)/C(=C\COc1ccc(F)cc1)O2 ZINC000033143551 570827713 /nfs/dbraw/zinc/82/77/13/570827713.db2.gz KMVDMQZVRNHJDE-FNZFIGJVSA-N 0 0 386.379 3.463 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007356482 570833394 /nfs/dbraw/zinc/83/33/94/570833394.db2.gz VSRQDZKQYUGSHL-MRXNPFEDSA-N 0 0 398.463 3.063 10 5 GGBERN CS(=O)(=O)NCCCSc1nc2ccccc2c2nc3ccccc3n21 ZINC000065606807 570839563 /nfs/dbraw/zinc/83/95/63/570839563.db2.gz DXOKKEORTFEIQV-UHFFFAOYSA-N 0 0 386.502 3.067 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1-n1ccnc1I ZINC000170595681 570853508 /nfs/dbraw/zinc/85/35/08/570853508.db2.gz BNBDIIVUJWMFJI-UHFFFAOYSA-N 0 0 393.966 3.148 10 5 GGBERN CN(C)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1[N+](=O)[O-] ZINC000012552033 570855467 /nfs/dbraw/zinc/85/54/67/570855467.db2.gz UBQUVGRWVSOVSY-UHFFFAOYSA-N 0 0 377.784 3.338 10 5 GGBERN COc1cc(CNc2ccc(N3C(=O)C[C@@H](C)C3=O)cc2[N+](=O)[O-])cc(OC)c1 ZINC000102783880 570863539 /nfs/dbraw/zinc/86/35/39/570863539.db2.gz MBPJGOLCMXGJEO-GFCCVEGCSA-N 0 0 399.403 3.124 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(c2ccccc2)CCC1 ZINC000032869611 570864727 /nfs/dbraw/zinc/86/47/27/570864727.db2.gz KKBQQAIBELOZJT-UHFFFAOYSA-N 0 0 376.434 3.004 10 5 GGBERN Cc1cc(Cl)ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000037276051 570868680 /nfs/dbraw/zinc/86/86/80/570868680.db2.gz KPNIJZSUVQCIMY-ZDUSSCGKSA-N 0 0 387.823 3.434 10 5 GGBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN(Cc1ccccc1)CC(F)(F)F ZINC000012568821 570872954 /nfs/dbraw/zinc/87/29/54/570872954.db2.gz CTKYMYGMKFIXGU-UHFFFAOYSA-N 0 0 393.321 3.213 10 5 GGBERN CN(C)c1noc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n1 ZINC000170619633 570876774 /nfs/dbraw/zinc/87/67/74/570876774.db2.gz QQBHUESGYKFBHV-HNNXBMFYSA-N 0 0 380.408 3.447 10 5 GGBERN CCCn1ccc2c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cccc2c1=O ZINC000004584147 570917777 /nfs/dbraw/zinc/91/77/77/570917777.db2.gz BOBTZFQCYZGIAB-UHFFFAOYSA-N 0 0 381.388 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CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000154535492 1422909498 /nfs/dbraw/zinc/90/94/98/1422909498.db2.gz FZNORVRKFGVPDZ-UHFFFAOYSA-N 0 0 394.181 3.471 10 5 GGBERN Cc1ccc(NCCCNC(=O)N[C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000155437422 1423363956 /nfs/dbraw/zinc/36/39/56/1423363956.db2.gz FALJYTVZQCLQTM-QGZVFWFLSA-N 0 0 386.452 3.128 10 5 GGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)n1ccc(=NCC(F)(F)F)cc1 ZINC000155488031 1423383764 /nfs/dbraw/zinc/38/37/64/1423383764.db2.gz FMIKAGIUCRJLPZ-UHFFFAOYSA-N 0 0 380.326 3.122 10 5 GGBERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000170601129 1425265223 /nfs/dbraw/zinc/26/52/23/1425265223.db2.gz UPBYJZHXRKQFTD-IYKWBQJMSA-N 0 0 389.452 3.370 10 5 GGBERN Cc1cc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000170949308 1425409818 /nfs/dbraw/zinc/40/98/18/1425409818.db2.gz AGVVRRAXVKTYHD-CQSZACIVSA-N 0 0 377.441 3.280 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170950382 1425411740 /nfs/dbraw/zinc/41/17/40/1425411740.db2.gz FVEHGGFUMWQINK-CQSZACIVSA-N 0 0 377.441 3.280 10 5 GGBERN C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)N(C)C ZINC000171980888 1425867044 /nfs/dbraw/zinc/86/70/44/1425867044.db2.gz GWYXASSBIHYCIW-NSHDSACASA-N 0 0 391.811 3.247 10 5 GGBERN O=[N+]([O-])c1cn(CN2CCN(c3cccc(Cl)c3)CC2)nc1-c1ccncc1 ZINC000172891395 1426242120 /nfs/dbraw/zinc/24/21/20/1426242120.db2.gz BAOVQRWCGBDHSL-UHFFFAOYSA-N 0 0 398.854 3.286 10 5 GGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000173232348 1426417876 /nfs/dbraw/zinc/41/78/76/1426417876.db2.gz FFFPXGVFSYXTCY-AWEZNQCLSA-N 0 0 386.433 3.128 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000180469831 1429876661 /nfs/dbraw/zinc/87/66/61/1429876661.db2.gz CNVZOOHCJLSNCV-UHFFFAOYSA-N 0 0 383.404 3.407 10 5 GGBERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000190108853 1432321458 /nfs/dbraw/zinc/32/14/58/1432321458.db2.gz FICZEVRQCFINDD-BBRMVZONSA-N 0 0 390.465 3.183 10 5 GGBERN CCCCS(=O)(=O)c1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000192262037 1432824070 /nfs/dbraw/zinc/82/40/70/1432824070.db2.gz DMXGJYORNNPGGW-UHFFFAOYSA-N 0 0 376.434 3.445 10 5 GGBERN COc1cccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000194083863 1433113839 /nfs/dbraw/zinc/11/38/39/1433113839.db2.gz HIHAQUJRVUMCOF-ZIAGYGMSSA-N 0 0 385.420 3.469 10 5 GGBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 ZINC000194621046 1433206571 /nfs/dbraw/zinc/20/65/71/1433206571.db2.gz HUDJFWMMZOIYSL-UHFFFAOYSA-N 0 0 381.766 3.489 10 5 GGBERN CS(=O)(=O)Cc1cccc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000194859091 1433250465 /nfs/dbraw/zinc/25/04/65/1433250465.db2.gz BILRHADUROHDKO-UHFFFAOYSA-N 0 0 397.840 3.115 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000225385042 1433366826 /nfs/dbraw/zinc/36/68/26/1433366826.db2.gz DURNGRGZAUNRDK-LAUBAEHRSA-N 0 0 394.475 3.079 10 5 GGBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)n1cc([N+](=O)[O-])c(-c2nccs2)n1 ZINC000225653845 1433367519 /nfs/dbraw/zinc/36/75/19/1433367519.db2.gz MQEQRKIUFNKDKU-VIFPVBQESA-N 0 0 388.365 3.023 10 5 GGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccc2c(c1)OCCO2 ZINC000225748204 1433367935 /nfs/dbraw/zinc/36/79/35/1433367935.db2.gz WPZCIUOCGDEOHJ-NSHDSACASA-N 0 0 389.383 3.062 10 5 GGBERN CC(C)(C)OC(=O)NCC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000267940461 1434479272 /nfs/dbraw/zinc/47/92/72/1434479272.db2.gz BJWLNTDLJWNNQW-UHFFFAOYSA-N 0 0 391.468 3.291 10 5 GGBERN COc1cc(N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc(OC)c1OC ZINC000270304468 1434721559 /nfs/dbraw/zinc/72/15/59/1434721559.db2.gz COWFBOKRZSHGDI-UHFFFAOYSA-N 0 0 399.403 3.307 10 5 GGBERN COc1cc(N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000272153387 1434875130 /nfs/dbraw/zinc/87/51/30/1434875130.db2.gz CXCVRHYCOMTQLY-UHFFFAOYSA-N 0 0 396.346 3.375 10 5 GGBERN CC(C)Cn1ncc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1C(F)F ZINC000273849876 1435021474 /nfs/dbraw/zinc/02/14/74/1435021474.db2.gz FYUMTKSOQSOSFQ-UHFFFAOYSA-N 0 0 378.339 3.421 10 5 GGBERN CN(C[C@H]1CCCCO1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278533939 1435397788 /nfs/dbraw/zinc/39/77/88/1435397788.db2.gz BIWGKVJJGNFKTC-CQSZACIVSA-N 0 0 375.347 3.324 10 5 GGBERN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282394314 1435845691 /nfs/dbraw/zinc/84/56/91/1435845691.db2.gz HCVOHSTXLICNKQ-CQSZACIVSA-N 0 0 384.436 3.055 10 5 GGBERN C[N+]1([O-])CCN(C(=S)Nc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000038175145 717126127 /nfs/dbraw/zinc/12/61/27/717126127.db2.gz JSGITMPYGNUQPT-UHFFFAOYSA-N 0 0 387.465 3.295 10 5 GGBERN O=C(O[C@H]1C[N+]2([O-])CCC1CC2)N1C[C@@H](O)c2ccccc2[C@H]1c1ccccc1 ZINC000575417730 717184462 /nfs/dbraw/zinc/18/44/62/717184462.db2.gz RWNCLFANNGZOCK-NNERKINGSA-N 0 0 395.479 3.260 10 5 GGBERN COc1c(C)cc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1C ZINC000756380519 1126108055 /nfs/dbraw/zinc/10/80/55/1126108055.db2.gz RSUHYNDGKVXMSJ-IBGZPJMESA-N 0 0 397.431 3.487 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001654629392 1126254098 /nfs/dbraw/zinc/25/40/98/1126254098.db2.gz DEXVNGSKWWVMNJ-DOTOQJQBSA-N 0 0 384.354 3.228 10 5 GGBERN C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001660387349 1126264146 /nfs/dbraw/zinc/26/41/46/1126264146.db2.gz DYBSLOGJWXZDTG-KRWDZBQOSA-N 0 0 395.253 3.146 10 5 GGBERN O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001659942747 1126263699 /nfs/dbraw/zinc/26/36/99/1126263699.db2.gz BMJLIIDTGPNJHE-HOCLYGCPSA-N 0 0 399.325 3.127 10 5 GGBERN C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000017327394 210209545 /nfs/dbraw/zinc/20/95/45/210209545.db2.gz QCAHHFUFQBCKSV-GHMZBOCLSA-N 0 0 375.347 3.051 10 5 GGBERN C[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000017327400 210209191 /nfs/dbraw/zinc/20/91/91/210209191.db2.gz QCAHHFUFQBCKSV-QWRGUYRKSA-N 0 0 375.347 3.051 10 5 GGBERN O=[N+]([O-])c1ccc(N2CCN(Cc3nnc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000016515313 210191418 /nfs/dbraw/zinc/19/14/18/210191418.db2.gz IGMYQBVYRVUYFC-UHFFFAOYSA-N 0 0 383.383 3.106 10 5 GGBERN C[C@H](OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000015816668 210171736 /nfs/dbraw/zinc/17/17/36/210171736.db2.gz MHTPAHBOTHMOCV-KBPBESRZSA-N 0 0 391.468 3.291 10 5 GGBERN COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000014188694 210109023 /nfs/dbraw/zinc/10/90/23/210109023.db2.gz GPVHAADUMWVBKZ-UHFFFAOYSA-N 0 0 395.371 3.379 10 5 GGBERN Cc1ccc(C2=N/C(=C\c3ccc(N4CCOCC4)s3)C(=O)O2)cc1[N+](=O)[O-] ZINC000014180546 210107917 /nfs/dbraw/zinc/10/79/17/210107917.db2.gz CJDRZIVZFNYHGD-PTNGSMBKSA-N 0 0 399.428 3.146 10 5 GGBERN COC(=O)C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000014120587 210104424 /nfs/dbraw/zinc/10/44/24/210104424.db2.gz HJKOZUYTQOHLDE-CQSZACIVSA-N 0 0 392.795 3.048 10 5 GGBERN Cc1nn(CC(=O)N[C@@H](C)c2ccccc2Br)c(C)c1[N+](=O)[O-] ZINC000014016928 210099528 /nfs/dbraw/zinc/09/95/28/210099528.db2.gz HHZALINQUPHHGD-VIFPVBQESA-N 0 0 381.230 3.048 10 5 GGBERN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000013009148 210046199 /nfs/dbraw/zinc/04/61/99/210046199.db2.gz MUSAXDKFYZAWEX-UHFFFAOYSA-N 0 0 395.337 3.159 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(Sc2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000012974902 210038567 /nfs/dbraw/zinc/03/85/67/210038567.db2.gz IINCLGPTSCITSG-UHFFFAOYSA-N 0 0 399.498 3.018 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012939789 210034013 /nfs/dbraw/zinc/03/40/13/210034013.db2.gz CVBJHGZKZXEVQL-INIZCTEOSA-N 0 0 396.447 3.192 10 5 GGBERN O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000012819106 210014499 /nfs/dbraw/zinc/01/44/99/210014499.db2.gz NPAPLURSFNNWML-UHFFFAOYSA-N 0 0 382.416 3.461 10 5 GGBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012801450 210011725 /nfs/dbraw/zinc/01/17/25/210011725.db2.gz CMZLYHJKJKEAHW-ZHACJKMWSA-N 0 0 393.443 3.163 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000012792292 210008671 /nfs/dbraw/zinc/00/86/71/210008671.db2.gz MQRRUUZTHVIEIV-AWEZNQCLSA-N 0 0 394.431 3.374 10 5 GGBERN O=[N+]([O-])c1ccc2cnn(C[C@H](O)COc3cccc(Br)c3)c2c1 ZINC000012751467 210001541 /nfs/dbraw/zinc/00/15/41/210001541.db2.gz CQGDBSZMJLGCSU-AWEZNQCLSA-N 0 0 392.209 3.147 10 5 GGBERN Cc1nnsc1-c1onc(C)c1-c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000012369719 209944386 /nfs/dbraw/zinc/94/43/86/209944386.db2.gz FMZLTJDYICCJJJ-UHFFFAOYSA-N 0 0 376.379 3.497 10 5 GGBERN O=C(CN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000008881873 209804849 /nfs/dbraw/zinc/80/48/49/209804849.db2.gz JYGHIGPDZDYGEO-UHFFFAOYSA-N 0 0 379.372 3.469 10 5 GGBERN Nn1cc(-c2ccccc2)nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000008757237 209799279 /nfs/dbraw/zinc/79/92/79/209799279.db2.gz VOORSMGANROQDT-UHFFFAOYSA-N 0 0 384.417 3.331 10 5 GGBERN COc1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-] ZINC000006201750 209636718 /nfs/dbraw/zinc/63/67/18/209636718.db2.gz IASACZLYSZXXCS-UHFFFAOYSA-N 0 0 392.795 3.290 10 5 GGBERN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000005943006 209622446 /nfs/dbraw/zinc/62/24/46/209622446.db2.gz AOVCCOHEFSEZCQ-SFHVURJKSA-N 0 0 380.404 3.478 10 5 GGBERN CCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005938106 209622277 /nfs/dbraw/zinc/62/22/77/209622277.db2.gz JVHMPRQTKKLCRQ-VAWYXSNFSA-N 0 0 383.404 3.104 10 5 GGBERN O=C(NC(=S)Nc1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000005683603 209609590 /nfs/dbraw/zinc/60/95/90/209609590.db2.gz VUCYZBRTZPNUGA-UHFFFAOYSA-N 0 0 399.457 3.164 10 5 GGBERN CCc1cc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)no1 ZINC000611223485 532721279 /nfs/dbraw/zinc/72/12/79/532721279.db2.gz JNLXLMRETONGQG-UHFFFAOYSA-N 0 0 387.133 3.002 10 5 GGBERN C[C@@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1ccco1 ZINC000005449637 209596416 /nfs/dbraw/zinc/59/64/16/209596416.db2.gz BQHIDEQGUPODAL-GFCCVEGCSA-N 0 0 384.344 3.310 10 5 GGBERN CCOC(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000005124320 209570740 /nfs/dbraw/zinc/57/07/40/209570740.db2.gz AQKDVTLFDCIXRQ-UHFFFAOYSA-N 0 0 394.181 3.181 10 5 GGBERN Cc1c(NC(=O)CSc2cc(=O)n(C)c3ccccc23)cccc1[N+](=O)[O-] ZINC000005008186 209557859 /nfs/dbraw/zinc/55/78/59/209557859.db2.gz FOAPTKBYVPSPLL-UHFFFAOYSA-N 0 0 383.429 3.486 10 5 GGBERN COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3nc2c1 ZINC000004939942 209549097 /nfs/dbraw/zinc/54/90/97/209549097.db2.gz HMVMIYZPGBNYIM-UHFFFAOYSA-N 0 0 397.778 3.425 10 5 GGBERN O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000004840073 209532105 /nfs/dbraw/zinc/53/21/05/209532105.db2.gz RSBPPMASERTDPY-UHFFFAOYSA-N 0 0 389.452 3.191 10 5 GGBERN CC1=Nc2ncnn2[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCc1ccccc1 ZINC000004879335 209538335 /nfs/dbraw/zinc/53/83/35/209538335.db2.gz FMRJPYGPKIJJNC-GOSISDBHSA-N 0 0 391.387 3.219 10 5 GGBERN Cc1cc2oc(=O)cc(Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c2cc1Cl ZINC000004412125 209486936 /nfs/dbraw/zinc/48/69/36/209486936.db2.gz BLLXOQYUPSHTNG-UHFFFAOYSA-N 0 0 397.774 3.421 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000002622624 209371369 /nfs/dbraw/zinc/37/13/69/209371369.db2.gz RCKDEBFNVWUISE-GFCCVEGCSA-N 0 0 376.438 3.438 10 5 GGBERN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000002501348 209368891 /nfs/dbraw/zinc/36/88/91/209368891.db2.gz JNMXHJIRISMECJ-MRXNPFEDSA-N 0 0 398.437 3.179 10 5 GGBERN COc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002472856 209366555 /nfs/dbraw/zinc/36/65/55/209366555.db2.gz CPUZSOMPQKXKJD-INIZCTEOSA-N 0 0 380.447 3.040 10 5 GGBERN CCN(CC)c1nc(C)c(C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002638280 209374303 /nfs/dbraw/zinc/37/43/03/209374303.db2.gz MZDMZQGUOXFCEE-UHFFFAOYSA-N 0 0 378.479 3.311 10 5 GGBERN COc1ccc([N+](=O)[O-])c(OC)c1C(=O)Nc1ccccc1C(=O)NCC1CC1 ZINC000001042618 209292648 /nfs/dbraw/zinc/29/26/48/209292648.db2.gz OKVZZRMHBDAXOL-UHFFFAOYSA-N 0 0 399.403 3.004 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2Br)cc1 ZINC000090495151 209237505 /nfs/dbraw/zinc/23/75/05/209237505.db2.gz SQHGNENYQJMREB-UHFFFAOYSA-N 0 0 392.618 3.207 10 5 GGBERN O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccc(OCc3ccccc3)cc1)C2 ZINC000005974558 209233367 /nfs/dbraw/zinc/23/33/67/209233367.db2.gz UUWGSZMZJOZWCU-GOSISDBHSA-N 0 0 381.388 3.348 10 5 GGBERN CNC(=O)c1ccc(N2CCC[C@H]2c2cc(OC)ccc2OC)c([N+](=O)[O-])c1 ZINC000053552635 212056864 /nfs/dbraw/zinc/05/68/64/212056864.db2.gz ZBWHWEXSIGHXIJ-INIZCTEOSA-N 0 0 385.420 3.313 10 5 GGBERN O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)c1 ZINC000101070154 211395521 /nfs/dbraw/zinc/39/55/21/211395521.db2.gz ASPNLSRWCZUFPM-HNNXBMFYSA-N 0 0 399.208 3.400 10 5 GGBERN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000096997718 211355160 /nfs/dbraw/zinc/35/51/60/211355160.db2.gz AQVPTCLHTBGUGX-GHXNOFRVSA-N 0 0 379.416 3.159 10 5 GGBERN COCCNC(=O)C[C@@H](c1c[nH]c2ccc(OC)cc21)c1ccccc1[N+](=O)[O-] ZINC000096278236 211329501 /nfs/dbraw/zinc/32/95/01/211329501.db2.gz RGSORARCJILQPQ-MRXNPFEDSA-N 0 0 397.431 3.369 10 5 GGBERN Cc1ccc(OCCN(C)C(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000096011686 211294656 /nfs/dbraw/zinc/29/46/56/211294656.db2.gz CISGAODDHQCRIA-UHFFFAOYSA-N 0 0 380.404 3.444 10 5 GGBERN Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000095454068 211242423 /nfs/dbraw/zinc/24/24/23/211242423.db2.gz OVXUYJWLCZMJKU-CRAIPNDOSA-N 0 0 387.823 3.258 10 5 GGBERN CC(C)(C)OC(=O)NCC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000095087866 211220465 /nfs/dbraw/zinc/22/04/65/211220465.db2.gz XGDTYXJIKLSYSD-UHFFFAOYSA-N 0 0 375.429 3.212 10 5 GGBERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095087352 211220051 /nfs/dbraw/zinc/22/00/51/211220051.db2.gz BRSMCASDYWFELV-ZDUSSCGKSA-N 0 0 375.429 3.355 10 5 GGBERN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000095087503 211219834 /nfs/dbraw/zinc/21/98/34/211219834.db2.gz NGUWNZRERKAJEW-LBPRGKRZSA-N 0 0 375.429 3.212 10 5 GGBERN CC(C)(C)OC(=O)N1CCC([S@@](=O)c2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000095083673 211218466 /nfs/dbraw/zinc/21/84/66/211218466.db2.gz OCVQXTMIBKHHPX-MHZLTWQESA-N 0 0 395.437 3.243 10 5 GGBERN CN(C(=O)OC(C)(C)C)C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000095074714 211217493 /nfs/dbraw/zinc/21/74/93/211217493.db2.gz LNCPILZGNLIZEH-UHFFFAOYSA-N 0 0 375.429 3.307 10 5 GGBERN CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074081 211217566 /nfs/dbraw/zinc/21/75/66/211217566.db2.gz DVDHCBNRCGQNOO-CYBMUJFWSA-N 0 0 375.429 3.307 10 5 GGBERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095075451 211216661 /nfs/dbraw/zinc/21/66/61/211216661.db2.gz NAXSDKNMZFEUJF-GFCCVEGCSA-N 0 0 375.429 3.164 10 5 GGBERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095075303 211215906 /nfs/dbraw/zinc/21/59/06/211215906.db2.gz AXCOFCRYNPIOJF-CYBMUJFWSA-N 0 0 375.429 3.307 10 5 GGBERN Cn1c2oc(NC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O ZINC000090367408 211188015 /nfs/dbraw/zinc/18/80/15/211188015.db2.gz GSGPDASAFRGRDO-UHFFFAOYSA-N 0 0 398.419 3.150 10 5 GGBERN COC(=O)c1cc(C(=O)N(CC2CCCCC2)c2cnccn2)cc([N+](=O)[O-])c1 ZINC000089404326 211180454 /nfs/dbraw/zinc/18/04/54/211180454.db2.gz JPXOSIPFBXQUDU-UHFFFAOYSA-N 0 0 398.419 3.399 10 5 GGBERN COc1ccccc1Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000089481818 211182026 /nfs/dbraw/zinc/18/20/26/211182026.db2.gz BFCDJAAWGUQQTC-UHFFFAOYSA-N 0 0 377.422 3.132 10 5 GGBERN O=[N+]([O-])c1cccc(-c2noc(CN(Cc3cccnc3)C[C@@H]3CCCO3)n2)c1 ZINC000069742157 211039866 /nfs/dbraw/zinc/03/98/66/211039866.db2.gz FAUZSOGRAVUQIL-SFHVURJKSA-N 0 0 395.419 3.221 10 5 GGBERN COC(=O)[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1F ZINC000069387043 211035505 /nfs/dbraw/zinc/03/55/05/211035505.db2.gz LGDVBRRADIJBKX-QGZVFWFLSA-N 0 0 398.749 3.345 10 5 GGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C(=O)N1CCCC1 ZINC000058108651 210906281 /nfs/dbraw/zinc/90/62/81/210906281.db2.gz UQRHVROBSBQFSL-PBHICJAKSA-N 0 0 391.493 3.079 10 5 GGBERN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N(C1=CCCCC1)C1CC1 ZINC000048302574 210850138 /nfs/dbraw/zinc/85/01/38/210850138.db2.gz AIZWIWUJBHOFMO-UHFFFAOYSA-N 0 0 383.246 3.311 10 5 GGBERN O=C(NCCc1ccccc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035870204 210698773 /nfs/dbraw/zinc/69/87/73/210698773.db2.gz SULXZCQLNYMCJS-PZJWPPBQSA-N 0 0 379.460 3.485 10 5 GGBERN O=C(OCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1NCCO ZINC000035800739 210696732 /nfs/dbraw/zinc/69/67/32/210696732.db2.gz VRHWVXKXPOHULD-UHFFFAOYSA-N 0 0 384.310 3.375 10 5 GGBERN CC[C@@H](CO)Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1Br ZINC000032919265 210602975 /nfs/dbraw/zinc/60/29/75/210602975.db2.gz XUCGXQYFZNPMCO-VIFPVBQESA-N 0 0 382.218 3.074 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025835540 210488190 /nfs/dbraw/zinc/48/81/90/210488190.db2.gz FCAKQCQIWFAVDJ-ZBFHGGJFSA-N 0 0 385.420 3.260 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025907816 210487267 /nfs/dbraw/zinc/48/72/67/210487267.db2.gz IUKNJUYXSYCMAB-MNOVXSKESA-N 0 0 375.347 3.253 10 5 GGBERN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)c1 ZINC000024974889 210474868 /nfs/dbraw/zinc/47/48/68/210474868.db2.gz PIJBNYWGNLNUEZ-LJQANCHMSA-N 0 0 381.432 3.247 10 5 GGBERN COc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000023386469 210445333 /nfs/dbraw/zinc/44/53/33/210445333.db2.gz GOXLGJBPWNJGTQ-VHSXEESVSA-N 0 0 376.331 3.463 10 5 GGBERN O=C(CN(Cc1ccco1)C(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000021711389 210389844 /nfs/dbraw/zinc/38/98/44/210389844.db2.gz REQLFFLQTMHWOM-UHFFFAOYSA-N 0 0 379.372 3.469 10 5 GGBERN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000021090687 210377314 /nfs/dbraw/zinc/37/73/14/210377314.db2.gz IIGQNTJRRKYRPZ-KRWDZBQOSA-N 0 0 389.751 3.216 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccco1 ZINC000021105095 210377166 /nfs/dbraw/zinc/37/71/66/210377166.db2.gz VVZPCQHHWXBVEF-GOSISDBHSA-N 0 0 380.360 3.358 10 5 GGBERN CC(=O)N1N=C(c2ccccc2Cl)O[C@@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000021092111 210377268 /nfs/dbraw/zinc/37/72/68/210377268.db2.gz KTYRIBHTXHZALP-MRXNPFEDSA-N 0 0 375.768 3.194 10 5 GGBERN CC(=O)N1N=C(c2ccccc2Cl)O[C@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000021092115 210376995 /nfs/dbraw/zinc/37/69/95/210376995.db2.gz KTYRIBHTXHZALP-INIZCTEOSA-N 0 0 375.768 3.194 10 5 GGBERN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1c[nH]c2ccccc21 ZINC000021421169 210381917 /nfs/dbraw/zinc/38/19/17/210381917.db2.gz PJEKHQHYVLYTPA-NSHDSACASA-N 0 0 396.355 3.276 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000020373392 210330333 /nfs/dbraw/zinc/33/03/33/210330333.db2.gz LNFWJTXOQJZKAU-AWEZNQCLSA-N 0 0 383.404 3.212 10 5 GGBERN COc1cccc(N2C(=O)[C@H]3CS[C@H](c4cccc([N+](=O)[O-])c4)N3C2=O)c1 ZINC000020274378 210325733 /nfs/dbraw/zinc/32/57/33/210325733.db2.gz NTCOJIHGJQECCC-NVXWUHKLSA-N 0 0 385.401 3.186 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000020224018 210324774 /nfs/dbraw/zinc/32/47/74/210324774.db2.gz AHRNOSUXKVKBJO-UHFFFAOYSA-N 0 0 395.341 3.363 10 5 GGBERN O=[N+]([O-])c1cccnc1N1CCCN(C(=S)Nc2ccc(F)cc2F)CC1 ZINC000020405985 210332134 /nfs/dbraw/zinc/33/21/34/210332134.db2.gz KACFBOKXGMAJPB-UHFFFAOYSA-N 0 0 393.419 3.177 10 5 GGBERN Cc1ccccc1-c1nnc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000020177789 210321574 /nfs/dbraw/zinc/32/15/74/210321574.db2.gz IKAKFDPRFAKKOS-UHFFFAOYSA-N 0 0 379.420 3.275 10 5 GGBERN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2ccccc21 ZINC000019829508 210299601 /nfs/dbraw/zinc/29/96/01/210299601.db2.gz UWGCDAIHSFTZNQ-UHFFFAOYSA-N 0 0 382.401 3.326 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c1C ZINC000005030336 220814914 /nfs/dbraw/zinc/81/49/14/220814914.db2.gz BINIFBWJUPCSIS-CQSZACIVSA-N 0 0 375.208 3.277 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000040083042 132394367 /nfs/dbraw/zinc/39/43/67/132394367.db2.gz XSHAWZTYALFXQM-NSHDSACASA-N 0 0 383.433 3.082 10 5 GGBERN O=[N+]([O-])c1ccc(N2CCC(c3ccnn3CCO)CC2)cc1C(F)(F)F ZINC000170649941 136199206 /nfs/dbraw/zinc/19/92/06/136199206.db2.gz VLDKOWGPWAPSCJ-UHFFFAOYSA-N 0 0 384.358 3.186 10 5 GGBERN CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000106538881 136201560 /nfs/dbraw/zinc/20/15/60/136201560.db2.gz BZTUWMDCCYHPHH-LSDHHAIUSA-N 0 0 391.468 3.149 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000114741604 564181548 /nfs/dbraw/zinc/18/15/48/564181548.db2.gz PQODRLMYLVRPQN-SNVBAGLBSA-N 0 0 387.870 3.273 10 5 GGBERN O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)c1ccccc1Br ZINC000003237485 564194031 /nfs/dbraw/zinc/19/40/31/564194031.db2.gz ZFWKZGAEGOFBHL-UHFFFAOYSA-N 0 0 378.178 3.326 10 5 GGBERN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003311950 564195038 /nfs/dbraw/zinc/19/50/38/564195038.db2.gz RJRBHBKXLRGBCB-UHFFFAOYSA-N 0 0 375.690 3.067 10 5 GGBERN Cc1ccnc(NCc2nnc(-c3ccc(Br)cc3)[nH]2)c1[N+](=O)[O-] ZINC000115516761 564195136 /nfs/dbraw/zinc/19/51/36/564195136.db2.gz GFPAUUGDOSHHHO-UHFFFAOYSA-N 0 0 389.213 3.458 10 5 GGBERN O=C(COc1ccc(I)cc1)Oc1ccccc1[N+](=O)[O-] ZINC000003455105 564196977 /nfs/dbraw/zinc/19/69/77/564196977.db2.gz VTKQLJRNWQGJDX-UHFFFAOYSA-N 0 0 399.140 3.184 10 5 GGBERN Cn1c(Sc2ncc(Br)cc2[N+](=O)[O-])nnc1C(F)(F)F ZINC000004366137 564203159 /nfs/dbraw/zinc/20/31/59/564203159.db2.gz SBODIWYGZWMUJQ-UHFFFAOYSA-N 0 0 384.137 3.051 10 5 GGBERN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(C(F)(F)F)cnc1Cl ZINC000004659457 564205088 /nfs/dbraw/zinc/20/50/88/564205088.db2.gz NBTYYIRPKJNEBC-UHFFFAOYSA-N 0 0 398.128 3.459 10 5 GGBERN COc1ccc(CCNC(=O)CSc2ccsc2[N+](=O)[O-])cc1OC ZINC000005035971 564211396 /nfs/dbraw/zinc/21/13/96/564211396.db2.gz VFCSFMKEIZNXSM-UHFFFAOYSA-N 0 0 382.463 3.125 10 5 GGBERN C[C@H](NC(=O)CSc1ccsc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000005035963 564211805 /nfs/dbraw/zinc/21/18/05/564211805.db2.gz OJQHYIQGAYSHIX-JTQLQIEISA-N 0 0 380.447 3.397 10 5 GGBERN Cc1ccc(OC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000116903339 564220117 /nfs/dbraw/zinc/22/01/17/564220117.db2.gz JUNMOAGCTWRXHB-UHFFFAOYSA-N 0 0 382.463 3.197 10 5 GGBERN CCOc1ccc(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000006538094 564225224 /nfs/dbraw/zinc/22/52/24/564225224.db2.gz KPUQWJIQTXKGFU-AWEZNQCLSA-N 0 0 391.207 3.059 10 5 GGBERN CC(C)(C)C(=O)Nc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000006739645 564227342 /nfs/dbraw/zinc/22/73/42/564227342.db2.gz BCBVNSKCKGXLEN-UHFFFAOYSA-N 0 0 380.451 3.406 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCSc2ccccc21 ZINC000007709367 564239516 /nfs/dbraw/zinc/23/95/16/564239516.db2.gz LVLQUNDWSRLTLU-UHFFFAOYSA-N 0 0 380.447 3.295 10 5 GGBERN Cn1cc(CNc2ncc([N+](=O)[O-])cc2Br)c(C(F)(F)F)n1 ZINC000118981079 564249148 /nfs/dbraw/zinc/24/91/48/564249148.db2.gz PJIMPLRLBUQDCN-UHFFFAOYSA-N 0 0 380.124 3.117 10 5 GGBERN C[C@H](Sc1nc(=O)c2ccsc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009762794 564254273 /nfs/dbraw/zinc/25/42/73/564254273.db2.gz GQTGDRQOHNKSMW-QMMMGPOBSA-N 0 0 376.419 3.012 10 5 GGBERN Cc1ccc(NC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)cc1[N+](=O)[O-] ZINC000009536313 564254286 /nfs/dbraw/zinc/25/42/86/564254286.db2.gz KGXKRBNXVFVTEU-UHFFFAOYSA-N 0 0 384.175 3.401 10 5 GGBERN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1cccc3c1N=S=N3)CC2 ZINC000119427562 564270369 /nfs/dbraw/zinc/27/03/69/564270369.db2.gz FQZHYZCOCBFFEX-UHFFFAOYSA-N 0 0 376.419 3.068 10 5 GGBERN NS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000015208929 564285616 /nfs/dbraw/zinc/28/56/16/564285616.db2.gz ASEXFNVWPFATBT-UHFFFAOYSA-N 0 0 376.221 3.161 10 5 GGBERN CN1C(=O)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)cc1 ZINC000119940072 564295520 /nfs/dbraw/zinc/29/55/20/564295520.db2.gz QMOGYOLANQLIQX-ABAIWWIYSA-N 0 0 379.825 3.012 10 5 GGBERN CC(C)Cn1ccnc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120418788 564319218 /nfs/dbraw/zinc/31/92/18/564319218.db2.gz XIWZSSVSSJBQIL-UHFFFAOYSA-N 0 0 395.257 3.069 10 5 GGBERN Cn1cc([C@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000120744787 564334694 /nfs/dbraw/zinc/33/46/94/564334694.db2.gz PRZCZTDTQCRNSV-CQSZACIVSA-N 0 0 379.214 3.068 10 5 GGBERN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000026876304 564350624 /nfs/dbraw/zinc/35/06/24/564350624.db2.gz CQZWPBDINMKVHQ-QMMMGPOBSA-N 0 0 376.843 3.358 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121136642 564354985 /nfs/dbraw/zinc/35/49/85/564354985.db2.gz SLKVRCTYZGQRQG-ZBEGNZNMSA-N 0 0 383.242 3.125 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121136527 564355174 /nfs/dbraw/zinc/35/51/74/564355174.db2.gz SLKVRCTYZGQRQG-MEDUHNTESA-N 0 0 383.242 3.125 10 5 GGBERN Cn1cc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000121200217 564359240 /nfs/dbraw/zinc/35/92/40/564359240.db2.gz RQTARWFNDGQREO-AWEZNQCLSA-N 0 0 379.214 3.068 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000121390630 564366628 /nfs/dbraw/zinc/36/66/28/564366628.db2.gz ZCZURRCFLRBHES-AWEZNQCLSA-N 0 0 379.214 3.448 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000121390472 564366826 /nfs/dbraw/zinc/36/68/26/564366826.db2.gz ZCZURRCFLRBHES-CQSZACIVSA-N 0 0 379.214 3.448 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000121447693 564369961 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O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](c2nccs2)C1 ZINC000121953284 564394291 /nfs/dbraw/zinc/39/42/91/564394291.db2.gz ZGEISNASANQSRL-LBPRGKRZSA-N 0 0 398.238 3.028 10 5 GGBERN C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000033191987 564411665 /nfs/dbraw/zinc/41/16/65/564411665.db2.gz WBNXSGXHSCEEGP-SNVBAGLBSA-N 0 0 381.841 3.307 10 5 GGBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccc(Br)cc1 ZINC000122606627 564420919 /nfs/dbraw/zinc/42/09/19/564420919.db2.gz KISWVZNULCOGBY-UHFFFAOYSA-N 0 0 389.165 3.055 10 5 GGBERN O=C(COc1cc(F)ccc1Br)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000122652294 564421926 /nfs/dbraw/zinc/42/19/26/564421926.db2.gz PNHIGJQDVXLSNA-UHFFFAOYSA-N 0 0 395.184 3.465 10 5 GGBERN CN(C)c1ccc(C(=O)OCc2c(Cl)nc3sccn32)cc1[N+](=O)[O-] ZINC000039983288 564425300 /nfs/dbraw/zinc/42/53/00/564425300.db2.gz BUIFRBVBDGXATC-UHFFFAOYSA-N 0 0 380.813 3.380 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000122940612 564432363 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GGBERN CS(=O)(=O)c1cc(NCc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000124870968 564496521 /nfs/dbraw/zinc/49/65/21/564496521.db2.gz ZFDRIXAQYLFOKT-UHFFFAOYSA-N 0 0 385.239 3.373 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCC(OCC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000125243257 564508657 /nfs/dbraw/zinc/50/86/57/564508657.db2.gz LHTIZMMDNUKFMJ-UHFFFAOYSA-N 0 0 388.511 3.325 10 5 GGBERN CN(C)S(=O)(=O)c1ccc2oc(SCc3csc([N+](=O)[O-])c3)nc2c1 ZINC000047171998 564514165 /nfs/dbraw/zinc/51/41/65/564514165.db2.gz OOHKWTATARQJBA-UHFFFAOYSA-N 0 0 399.475 3.340 10 5 GGBERN O=C(CN1CCO[C@@H](c2ccsc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125676272 564522994 /nfs/dbraw/zinc/52/29/94/564522994.db2.gz IKAZTCIBFCPOKJ-OAHLLOKOSA-N 0 0 381.841 3.322 10 5 GGBERN Cc1sc(S(=O)(=O)N(CCc2nccs2)C(C)C)cc1[N+](=O)[O-] ZINC000125736155 564524952 /nfs/dbraw/zinc/52/49/52/564524952.db2.gz RMSIWGVNCLXRPW-UHFFFAOYSA-N 0 0 375.497 3.063 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000047983057 564529931 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C[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@H](c2ccsc2)O1 ZINC000126185704 564540017 /nfs/dbraw/zinc/54/00/17/564540017.db2.gz MZCABIPTIGPFPE-IAQYHMDHSA-N 0 0 382.463 3.026 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000126367444 564546982 /nfs/dbraw/zinc/54/69/82/564546982.db2.gz IIHYASFYRVHMCS-UHFFFAOYSA-N 0 0 376.722 3.273 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000126525038 564552564 /nfs/dbraw/zinc/55/25/64/564552564.db2.gz BTFOYPBFWZCFDL-SNVBAGLBSA-N 0 0 377.388 3.073 10 5 GGBERN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000050131453 564556291 /nfs/dbraw/zinc/55/62/91/564556291.db2.gz ADHZZWFVWAVDTD-UHFFFAOYSA-N 0 0 389.003 3.199 10 5 GGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000052777272 564576615 /nfs/dbraw/zinc/57/66/15/564576615.db2.gz QFWDMULRURXMNT-UHFFFAOYSA-N 0 0 383.832 3.407 10 5 GGBERN Cc1ccc(NC(=O)CSc2nnc(N3CCCC3)s2)cc1[N+](=O)[O-] ZINC000052911991 564578537 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383.242 3.125 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(=O)Nc2ccccc21 ZINC000128286756 564614577 /nfs/dbraw/zinc/61/45/77/564614577.db2.gz ZYMZWDGAHRYKLP-UHFFFAOYSA-N 0 0 390.193 3.346 10 5 GGBERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000128411028 564617874 /nfs/dbraw/zinc/61/78/74/564617874.db2.gz SQRMGJQSIRZBPI-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN Cc1sc(C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000055549187 564623582 /nfs/dbraw/zinc/62/35/82/564623582.db2.gz BPWNJTNWERYDGB-UHFFFAOYSA-N 0 0 398.238 3.096 10 5 GGBERN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000128950136 564634010 /nfs/dbraw/zinc/63/40/10/564634010.db2.gz BIZUNGUABIRNRK-OTYXRUKQSA-N 0 0 390.870 3.364 10 5 GGBERN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000128950554 564634326 /nfs/dbraw/zinc/63/43/26/564634326.db2.gz BIZUNGUABIRNRK-YMTOWFKASA-N 0 0 390.870 3.364 10 5 GGBERN COc1ccc(C(=O)NCc2cc(F)cc(Br)c2)cc1[N+](=O)[O-] ZINC000055972886 564635914 /nfs/dbraw/zinc/63/59/14/564635914.db2.gz WNWCWPTVQWSUOU-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)cc(Br)c1 ZINC000055973061 564636049 /nfs/dbraw/zinc/63/60/49/564636049.db2.gz YVIQIYVTXPSIKI-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000056126803 564641932 /nfs/dbraw/zinc/64/19/32/564641932.db2.gz VJSKDOPMYNZHTL-INIZCTEOSA-N 0 0 382.825 3.010 10 5 GGBERN CC(C)COC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000056129787 564643101 /nfs/dbraw/zinc/64/31/01/564643101.db2.gz FQEANXWFVPPBAD-UHFFFAOYSA-N 0 0 376.862 3.074 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(c2ccccc2)CC1 ZINC000129603973 564654008 /nfs/dbraw/zinc/65/40/08/564654008.db2.gz DMHABJZIWAVPPJ-UHFFFAOYSA-N 0 0 390.237 3.320 10 5 GGBERN O=C(Nc1c[nH]cc(Br)c1=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000129626903 564654815 /nfs/dbraw/zinc/65/48/15/564654815.db2.gz XQBDWLWLAKMPMQ-UHFFFAOYSA-N 0 0 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ZINC000058304068 564682213 /nfs/dbraw/zinc/68/22/13/564682213.db2.gz CUVZWZBEVZZGCW-UHFFFAOYSA-N 0 0 383.886 3.341 10 5 GGBERN COc1cc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1SC ZINC000058511900 564685699 /nfs/dbraw/zinc/68/56/99/564685699.db2.gz WMMVEPXJKDAQRQ-UHFFFAOYSA-N 0 0 388.492 3.208 10 5 GGBERN Cc1sc(C(=O)Nc2ccc(Sc3nncn3C)cc2)cc1[N+](=O)[O-] ZINC000058888910 564690813 /nfs/dbraw/zinc/69/08/13/564690813.db2.gz GNZUUPZUVFDFIS-UHFFFAOYSA-N 0 0 375.435 3.497 10 5 GGBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccc(Br)c(F)c1 ZINC000130761688 564691689 /nfs/dbraw/zinc/69/16/89/564691689.db2.gz QTCLJSOSIOIJLU-UHFFFAOYSA-N 0 0 394.156 3.361 10 5 GGBERN O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3ncccc3Cl)co2)cc1 ZINC000130864671 564694972 /nfs/dbraw/zinc/69/49/72/564694972.db2.gz KNNHNWQSHFTPFY-UHFFFAOYSA-N 0 0 379.781 3.272 10 5 GGBERN COc1cc(CN2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131363100 564709004 /nfs/dbraw/zinc/70/90/04/564709004.db2.gz HVVZJJGOWNCXQR-JTQLQIEISA-N 0 0 380.388 3.482 10 5 GGBERN O=C(NCc1cccc([N+](=O)[O-])c1)NCc1cc(F)cc(Br)c1 ZINC000063069573 564713304 /nfs/dbraw/zinc/71/33/04/564713304.db2.gz GSWVFPKGGCLXAE-UHFFFAOYSA-N 0 0 382.189 3.496 10 5 GGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000131482790 564713904 /nfs/dbraw/zinc/71/39/04/564713904.db2.gz PHMNLZYFWUMQFT-UHFFFAOYSA-N 0 0 383.832 3.407 10 5 GGBERN COC(=O)CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000131562312 564715400 /nfs/dbraw/zinc/71/54/00/564715400.db2.gz DOXMGEOREMVAQY-UHFFFAOYSA-N 0 0 393.621 3.084 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc(C(F)(F)F)cc2)s1 ZINC000064242265 564726475 /nfs/dbraw/zinc/72/64/75/564726475.db2.gz WBZRTRSZMBDERQ-UHFFFAOYSA-N 0 0 380.369 3.196 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc(Br)s2)s1 ZINC000064245025 564727067 /nfs/dbraw/zinc/72/70/67/564727067.db2.gz OXHUNOTWVJWKCH-UHFFFAOYSA-N 0 0 397.297 3.001 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCSCc2ccccc2F)s1 ZINC000064243866 564727093 /nfs/dbraw/zinc/72/70/93/564727093.db2.gz UQOXJGMWXMBHKH-UHFFFAOYSA-N 0 0 376.456 3.007 10 5 GGBERN CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064244500 564727224 /nfs/dbraw/zinc/72/72/24/564727224.db2.gz PLUMFIHZAYTZNB-UHFFFAOYSA-N 0 0 381.479 3.077 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC(F)F)cc1 ZINC000064245198 564727506 /nfs/dbraw/zinc/72/75/06/564727506.db2.gz HKVCFZCXIMALMH-QMMMGPOBSA-N 0 0 378.378 3.297 10 5 GGBERN CN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243456 564727533 /nfs/dbraw/zinc/72/75/33/564727533.db2.gz NHLWTPWKNRZCSQ-UHFFFAOYSA-N 0 0 397.297 3.301 10 5 GGBERN O=c1c(Br)cn(Cc2cc(F)cc3cccnc32)cc1[N+](=O)[O-] ZINC000132473727 564745144 /nfs/dbraw/zinc/74/51/44/564745144.db2.gz YBKZQWIACWPDKX-UHFFFAOYSA-N 0 0 378.157 3.255 10 5 GGBERN O=c1c(Br)cn(Cc2csc(Br)c2)cc1[N+](=O)[O-] ZINC000132511959 564745513 /nfs/dbraw/zinc/74/55/13/564745513.db2.gz SGXOJWFRBSFGNZ-UHFFFAOYSA-N 0 0 394.044 3.391 10 5 GGBERN O=c1c(Br)cn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000132876265 564756106 /nfs/dbraw/zinc/75/61/06/564756106.db2.gz XDVXZFRWKOUXFA-UHFFFAOYSA-N 0 0 388.015 3.330 10 5 GGBERN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808737 564775364 /nfs/dbraw/zinc/77/53/64/564775364.db2.gz MEWNNEUCMOARNN-UHFFFAOYSA-N 0 0 381.219 3.259 10 5 GGBERN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808138 564775588 /nfs/dbraw/zinc/77/55/88/564775588.db2.gz UCXMIWVRMIRBDT-UHFFFAOYSA-N 0 0 381.219 3.259 10 5 GGBERN COc1ncccc1N(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000133780409 564785311 /nfs/dbraw/zinc/78/53/11/564785311.db2.gz ZPBHBCGIGGIFDD-UHFFFAOYSA-N 0 0 380.198 3.346 10 5 GGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(F)cc(Br)c2)c1 ZINC000067752990 564798741 /nfs/dbraw/zinc/79/87/41/564798741.db2.gz AICZFQPIEUERKB-UHFFFAOYSA-N 0 0 383.173 3.435 10 5 GGBERN COc1ccc(CSCC(=O)N[C@@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000067860810 564800862 /nfs/dbraw/zinc/80/08/62/564800862.db2.gz VKUTVNHIAIGGLN-NSHDSACASA-N 0 0 381.479 3.479 10 5 GGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000134580717 564807749 /nfs/dbraw/zinc/80/77/49/564807749.db2.gz LUQVCUTVAGNHEL-IAQYHMDHSA-N 0 0 385.258 3.418 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1Sc1nnnn1-c1ccccc1 ZINC000069447658 564840773 /nfs/dbraw/zinc/84/07/73/564840773.db2.gz AJBLPKCCJDWJSK-UHFFFAOYSA-N 0 0 378.211 3.484 10 5 GGBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1nccs1 ZINC000070736421 564850585 /nfs/dbraw/zinc/85/05/85/564850585.db2.gz PLJYJXQQGWWKNZ-GFCCVEGCSA-N 0 0 382.829 3.098 10 5 GGBERN CC(C)c1csc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000070816940 564852057 /nfs/dbraw/zinc/85/20/57/564852057.db2.gz WMVHTICHOIBDAA-UHFFFAOYSA-N 0 0 380.451 3.004 10 5 GGBERN O=C(NCCc1csc(N2CCCC2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137094025 564858605 /nfs/dbraw/zinc/85/86/05/564858605.db2.gz GLMUMICXFCBARR-UHFFFAOYSA-N 0 0 380.857 3.277 10 5 GGBERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000137372905 564862247 /nfs/dbraw/zinc/86/22/47/564862247.db2.gz KQCPALWBTPJTLT-SNVBAGLBSA-N 0 0 381.219 3.305 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3[nH]c(=O)sc3c2)cc1[N+](=O)[O-] ZINC000078954442 564865915 /nfs/dbraw/zinc/86/59/15/564865915.db2.gz PGCDLKPPVDDVQG-UHFFFAOYSA-N 0 0 399.837 3.260 10 5 GGBERN CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000142561354 564875249 /nfs/dbraw/zinc/87/52/49/564875249.db2.gz AOLSGXZUQSLUNY-UHFFFAOYSA-N 0 0 382.825 3.223 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCC(C)(C)c2ccncc2)cc1[N+](=O)[O-] ZINC000092264629 564876161 /nfs/dbraw/zinc/87/61/61/564876161.db2.gz QMHFLMQOKRDMOU-UHFFFAOYSA-N 0 0 383.857 3.208 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@H](C)CO)cc2[N+](=O)[O-])n1 ZINC000151171361 564907821 /nfs/dbraw/zinc/90/78/21/564907821.db2.gz BNVNBQHYDXXQAF-MWLCHTKSSA-N 0 0 381.479 3.258 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc2[N+](=O)[O-])n1 ZINC000151171220 564908107 /nfs/dbraw/zinc/90/81/07/564908107.db2.gz BNVNBQHYDXXQAF-GXSJLCMTSA-N 0 0 381.479 3.258 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000151364494 564916268 /nfs/dbraw/zinc/91/62/68/564916268.db2.gz WOHVMVCPOBQIAR-UHFFFAOYSA-N 0 0 388.177 3.451 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000151359121 564916353 /nfs/dbraw/zinc/91/63/53/564916353.db2.gz PBKXAMVWPOBCPT-UHFFFAOYSA-N 0 0 388.177 3.451 10 5 GGBERN O=C(N[C@H]1CCCC[C@H]1O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000151876835 564939799 /nfs/dbraw/zinc/93/97/99/564939799.db2.gz WKSLTLWVEFDGQY-GXSJLCMTSA-N 0 0 377.622 3.044 10 5 GGBERN CC(=O)c1cnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000151998589 564943025 /nfs/dbraw/zinc/94/30/25/564943025.db2.gz VPHVJRDVERRDGB-UHFFFAOYSA-N 0 0 384.211 3.198 10 5 GGBERN Cc1cnc(CCN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000152526856 564962745 /nfs/dbraw/zinc/96/27/45/564962745.db2.gz WGJZWQNZSKAKCL-LLVKDONJSA-N 0 0 383.857 3.482 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000152578710 564964239 /nfs/dbraw/zinc/96/42/39/564964239.db2.gz QNJAVIVADNYALG-QWRGUYRKSA-N 0 0 389.271 3.086 10 5 GGBERN O=C1N[C@]2(CCc3cc(Cl)ccc32)C(=O)N1Cc1csc([N+](=O)[O-])c1 ZINC000152988039 564980557 /nfs/dbraw/zinc/98/05/57/564980557.db2.gz QLKFHTRRIFENDZ-INIZCTEOSA-N 0 0 377.809 3.203 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N(C)[C@H]3CCOC3)cc2[N+](=O)[O-])n1 ZINC000106847121 564989826 /nfs/dbraw/zinc/98/98/26/564989826.db2.gz RKQJBMXNBIXBHJ-LBPRGKRZSA-N 0 0 379.463 3.372 10 5 GGBERN CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000106894846 564990993 /nfs/dbraw/zinc/99/09/93/564990993.db2.gz PNZFQPLTCNRQOS-ZDUSSCGKSA-N 0 0 376.862 3.218 10 5 GGBERN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1coc(-c2ccc(F)cc2)n1 ZINC000153463066 564996220 /nfs/dbraw/zinc/99/62/20/564996220.db2.gz IMFFBMHFDFWZOA-UHFFFAOYSA-N 0 0 394.156 3.361 10 5 GGBERN Cc1cccc(NC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000153503457 564998105 /nfs/dbraw/zinc/99/81/05/564998105.db2.gz JDMVUGJEGSXXDH-UHFFFAOYSA-N 0 0 381.479 3.230 10 5 GGBERN CN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000107308912 564998152 /nfs/dbraw/zinc/99/81/52/564998152.db2.gz QKJNIBGYSORDBT-UHFFFAOYSA-N 0 0 376.768 3.347 10 5 GGBERN Cc1cnn([C@H]2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)c1 ZINC000153677144 565006286 /nfs/dbraw/zinc/00/62/86/565006286.db2.gz UJOJZXIDKVOIJQ-AWEZNQCLSA-N 0 0 393.241 3.340 10 5 GGBERN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000109107108 565020871 /nfs/dbraw/zinc/02/08/71/565020871.db2.gz AXZMAAXGNVNOSH-UHFFFAOYSA-N 0 0 383.451 3.369 10 5 GGBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nc(-c2ccsc2)ns1 ZINC000109109046 565021619 /nfs/dbraw/zinc/02/16/19/565021619.db2.gz HZRCRYCQBMRMFU-UHFFFAOYSA-N 0 0 380.382 3.331 10 5 GGBERN Cc1ccn2c(c1)nnc2NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000154068773 565024321 /nfs/dbraw/zinc/02/43/21/565024321.db2.gz KMLZKUGOYPIYRW-UHFFFAOYSA-N 0 0 390.197 3.269 10 5 GGBERN COc1cccc([C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CCO2)c1 ZINC000154219778 565030083 /nfs/dbraw/zinc/03/00/83/565030083.db2.gz SFBKQJRFZSGINJ-OAHLLOKOSA-N 0 0 394.225 3.339 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000154370810 565036088 /nfs/dbraw/zinc/03/60/88/565036088.db2.gz RDWATVWFQSOSBO-WBMJQRKESA-N 0 0 383.242 3.125 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000154370917 565036225 /nfs/dbraw/zinc/03/62/25/565036225.db2.gz RDWATVWFQSOSBO-BLLLJJGKSA-N 0 0 383.242 3.125 10 5 GGBERN Cc1sc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000110335663 565039667 /nfs/dbraw/zinc/03/96/67/565039667.db2.gz OWHCIPBNNVRZCT-LLVKDONJSA-N 0 0 379.825 3.153 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000154620818 565046628 /nfs/dbraw/zinc/04/66/28/565046628.db2.gz JCWPYLXBHIUOCY-DOMZBBRYSA-N 0 0 384.816 3.363 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000154804107 565053824 /nfs/dbraw/zinc/05/38/24/565053824.db2.gz ZGLIFUXFQXLDIH-OAHLLOKOSA-N 0 0 393.241 3.377 10 5 GGBERN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000154980627 565058749 /nfs/dbraw/zinc/05/87/49/565058749.db2.gz BGNFNJOGKXVIKS-GFCCVEGCSA-N 0 0 384.841 3.135 10 5 GGBERN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000155112095 565062205 /nfs/dbraw/zinc/06/22/05/565062205.db2.gz HVHYQPRNKDDLIW-LBPRGKRZSA-N 0 0 384.841 3.135 10 5 GGBERN COC(=O)[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000155350179 565066469 /nfs/dbraw/zinc/06/64/69/565066469.db2.gz FDVMIANHYDWIMA-AWEZNQCLSA-N 0 0 393.193 3.001 10 5 GGBERN CCN(CCc1nccs1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000155385985 565066897 /nfs/dbraw/zinc/06/68/97/565066897.db2.gz FOWVIXGOGZQMPJ-UHFFFAOYSA-N 0 0 389.886 3.266 10 5 GGBERN O=[N+]([O-])c1c(N[C@@H](CO)c2cccc(Br)c2)nc2sccn21 ZINC000155441693 565067761 /nfs/dbraw/zinc/06/77/61/565067761.db2.gz DOZBFOAYWMGEOK-JTQLQIEISA-N 0 0 383.227 3.212 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1=O ZINC000155855090 565072334 /nfs/dbraw/zinc/07/23/34/565072334.db2.gz ZFDVGUDFUDVZJC-UHFFFAOYSA-N 0 0 384.219 3.030 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)c1=O ZINC000155888506 565072433 /nfs/dbraw/zinc/07/24/33/565072433.db2.gz IHLXZMJPPDVAKP-UHFFFAOYSA-N 0 0 381.175 3.470 10 5 GGBERN CS(=O)(=O)c1cc(SCc2nc(C3CCCC3)no2)ccc1[N+](=O)[O-] ZINC000156030196 565074051 /nfs/dbraw/zinc/07/40/51/565074051.db2.gz INCDWNPYCXEOCA-UHFFFAOYSA-N 0 0 383.451 3.331 10 5 GGBERN CSCc1cc(F)ccc1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000156182970 565075620 /nfs/dbraw/zinc/07/56/20/565075620.db2.gz JDTVETMMTDPPNS-UHFFFAOYSA-N 0 0 384.454 3.217 10 5 GGBERN Cc1nc(C(F)(F)F)c(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000183700879 565088611 /nfs/dbraw/zinc/08/86/11/565088611.db2.gz QDRZGSDDHHVOEU-UHFFFAOYSA-N 0 0 380.369 3.494 10 5 GGBERN CC(C)N([C@@H]1CCOC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000292030975 565093517 /nfs/dbraw/zinc/09/35/17/565093517.db2.gz DSLGHDZMHSAYSH-SECBINFHSA-N 0 0 383.253 3.090 10 5 GGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000156564611 565094830 /nfs/dbraw/zinc/09/48/30/565094830.db2.gz YTTGIGPNZFVXMW-NXEZZACHSA-N 0 0 388.205 3.460 10 5 GGBERN CC(C)N(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CCOC1 ZINC000292306477 565110482 /nfs/dbraw/zinc/11/04/82/565110482.db2.gz AFNUCZCOWHUVIH-JTQLQIEISA-N 0 0 375.194 3.136 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c2cccc3C(F)(F)F)s1 ZINC000184027197 565111019 /nfs/dbraw/zinc/11/10/19/565111019.db2.gz PGWKEFDQWXGFQZ-UHFFFAOYSA-N 0 0 378.353 3.427 10 5 GGBERN CC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000292341066 565111400 /nfs/dbraw/zinc/11/14/00/565111400.db2.gz OTVYKUFBUKBRAJ-MRXNPFEDSA-N 0 0 389.235 3.312 10 5 GGBERN C[C@H]1N(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000369896330 565116782 /nfs/dbraw/zinc/11/67/82/565116782.db2.gz CRGXJTBCVRSAGL-LLVKDONJSA-N 0 0 383.242 3.389 10 5 GGBERN C[C@@H]1N(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000369896331 565117465 /nfs/dbraw/zinc/11/74/65/565117465.db2.gz CRGXJTBCVRSAGL-NSHDSACASA-N 0 0 383.242 3.389 10 5 GGBERN C[C@@]12CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C[C@@H]1C2(F)F ZINC000292922855 565140382 /nfs/dbraw/zinc/14/03/82/565140382.db2.gz SLQUIVVULOQLNF-WCQYABFASA-N 0 0 375.169 3.475 10 5 GGBERN COCc1nc2n(n1)CCC[C@@H]2Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000268415759 565150513 /nfs/dbraw/zinc/15/05/13/565150513.db2.gz VCFAGGMBQBHPHU-NSHDSACASA-N 0 0 382.218 3.042 10 5 GGBERN COCc1nc2n(n1)CCC[C@H]2Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000268415757 565150980 /nfs/dbraw/zinc/15/09/80/565150980.db2.gz VCFAGGMBQBHPHU-LLVKDONJSA-N 0 0 382.218 3.042 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000184782198 565156701 /nfs/dbraw/zinc/15/67/01/565156701.db2.gz BKKRZSDRYFAOAJ-GFCCVEGCSA-N 0 0 379.214 3.448 10 5 GGBERN Cc1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)no1 ZINC000370954991 565169780 /nfs/dbraw/zinc/16/97/80/565169780.db2.gz HSMMHPCFVKERNB-CYBMUJFWSA-N 0 0 395.213 3.416 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000268880505 565170919 /nfs/dbraw/zinc/17/09/19/565170919.db2.gz JYBWSWCLLNSRJL-ZBEGNZNMSA-N 0 0 383.242 3.125 10 5 GGBERN Cc1cc(OCC(=O)N[C@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000293893381 565189652 /nfs/dbraw/zinc/18/96/52/565189652.db2.gz JNAHATZGEAIQJH-GFCCVEGCSA-N 0 0 375.328 3.158 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC000269393709 565189986 /nfs/dbraw/zinc/18/99/86/565189986.db2.gz RRAYKSPXSXIXOG-LBPRGKRZSA-N 0 0 382.507 3.491 10 5 GGBERN O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc([N+](=O)[O-])cc1Br ZINC000185364296 565197160 /nfs/dbraw/zinc/19/71/60/565197160.db2.gz BKAHBVXTLMRTCR-AWEZNQCLSA-N 0 0 393.193 3.426 10 5 GGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](c1nccs1)C(F)(F)F ZINC000294072180 565197768 /nfs/dbraw/zinc/19/77/68/565197768.db2.gz ZXOSAHZIMNCOTG-LBPRGKRZSA-N 0 0 375.328 3.240 10 5 GGBERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269726996 565198901 /nfs/dbraw/zinc/19/89/01/565198901.db2.gz HVIJTBKRQYJSQE-UHFFFAOYSA-N 0 0 376.722 3.273 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]2c2cccnc2)c1 ZINC000371601358 565202398 /nfs/dbraw/zinc/20/23/98/565202398.db2.gz IDNSIYOKVZEVPN-ZDUSSCGKSA-N 0 0 381.841 3.477 10 5 GGBERN O=C(Nc1c[nH]cc(Br)c1=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000159492737 565208227 /nfs/dbraw/zinc/20/82/27/565208227.db2.gz HTTKRTZMXQPGRY-UHFFFAOYSA-N 0 0 389.165 3.258 10 5 GGBERN C[C@H]1N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000371783521 565209229 /nfs/dbraw/zinc/20/92/29/565209229.db2.gz JTPANRBNTPTRCV-LLVKDONJSA-N 0 0 383.242 3.389 10 5 GGBERN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000159871281 565221830 /nfs/dbraw/zinc/22/18/30/565221830.db2.gz HTTWVKHGDLFPFD-QMMMGPOBSA-N 0 0 387.845 3.071 10 5 GGBERN COc1cccc([C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CCO2)c1 ZINC000270881124 565231406 /nfs/dbraw/zinc/23/14/06/565231406.db2.gz DTQMPZITGZRFEN-HNNXBMFYSA-N 0 0 394.225 3.339 10 5 GGBERN Cn1cc(CNc2c(Br)cncc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000270951944 565234141 /nfs/dbraw/zinc/23/41/41/565234141.db2.gz MFFBBIKJDCPWNQ-UHFFFAOYSA-N 0 0 380.124 3.117 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2Cc3ccccc3C3(CC3)C2)c(Cl)c1 ZINC000186004172 565234605 /nfs/dbraw/zinc/23/46/05/565234605.db2.gz MFDQPUURHMWDDH-UHFFFAOYSA-N 0 0 378.837 3.484 10 5 GGBERN C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000271139095 565240059 /nfs/dbraw/zinc/24/00/59/565240059.db2.gz BVOZKWFWCWKSKU-RISCZKNCSA-N 0 0 382.463 3.026 10 5 GGBERN CCOC(=O)C1CCC(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000295073749 565243278 /nfs/dbraw/zinc/24/32/78/565243278.db2.gz WTMASUJDKHRICP-UHFFFAOYSA-N 0 0 387.479 3.212 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000186170377 565244998 /nfs/dbraw/zinc/24/49/98/565244998.db2.gz PEOPUBICUHJHOO-GFCCVEGCSA-N 0 0 376.862 3.184 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)n1 ZINC000271403714 565252181 /nfs/dbraw/zinc/25/21/81/565252181.db2.gz KQGRVMNCAZFJCU-UHFFFAOYSA-N 0 0 383.235 3.487 10 5 GGBERN COc1c(F)cc(S(=O)(=O)N[C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000186335521 565256173 /nfs/dbraw/zinc/25/61/73/565256173.db2.gz OSJOBQBYSSNBAG-SSDOTTSWSA-N 0 0 394.833 3.497 10 5 GGBERN Cc1csc([C@H](C)CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000186481601 565263461 /nfs/dbraw/zinc/26/34/61/565263461.db2.gz NPVBAUBIFPBAAL-MRVPVSSYSA-N 0 0 389.886 3.404 10 5 GGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373112881 565270436 /nfs/dbraw/zinc/27/04/36/565270436.db2.gz QSSJKPQATYYPMM-UHFFFAOYSA-N 0 0 394.210 3.456 10 5 GGBERN C[C@@H]1N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC12CCOCC2 ZINC000373268881 565276516 /nfs/dbraw/zinc/27/65/16/565276516.db2.gz YBWDBLQUFDAVGA-LBPRGKRZSA-N 0 0 397.269 3.317 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186689025 565278717 /nfs/dbraw/zinc/27/87/17/565278717.db2.gz CSVAASHCEZEANG-QMMMGPOBSA-N 0 0 375.859 3.095 10 5 GGBERN Cc1cnc([C@@H](C)CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000186733968 565282059 /nfs/dbraw/zinc/28/20/59/565282059.db2.gz OZGFBIZFAKOUHF-QMMMGPOBSA-N 0 0 389.886 3.404 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(Br)cc(Cl)c32)n1 ZINC000272455433 565288166 /nfs/dbraw/zinc/28/81/66/565288166.db2.gz KLYSRIOVLTXSGT-UHFFFAOYSA-N 0 0 399.632 3.337 10 5 GGBERN Cc1c(NC(=O)N2CC[C@]3(CCOC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000373928520 565310479 /nfs/dbraw/zinc/31/04/79/565310479.db2.gz KWZUTOBWZXHCGR-HNNXBMFYSA-N 0 0 384.230 3.310 10 5 GGBERN Cc1c(NC(=O)c2cnc3n2CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000374035442 565317721 /nfs/dbraw/zinc/31/77/21/565317721.db2.gz JLTCEBMNFQEJCQ-UHFFFAOYSA-N 0 0 379.214 3.451 10 5 GGBERN Cc1c(NC(=O)N2CCC3(CCO3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000374359044 565333858 /nfs/dbraw/zinc/33/38/58/565333858.db2.gz HLUDWEHQLSOJOE-UHFFFAOYSA-N 0 0 384.230 3.453 10 5 GGBERN Cc1csc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000163269625 565341189 /nfs/dbraw/zinc/34/11/89/565341189.db2.gz YWZMPFLRODNEML-MRVPVSSYSA-N 0 0 395.384 3.418 10 5 GGBERN CSc1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000187604940 565345518 /nfs/dbraw/zinc/34/55/18/565345518.db2.gz JUUDISCISHJFPB-KBPBESRZSA-N 0 0 378.475 3.226 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000163428699 565345974 /nfs/dbraw/zinc/34/59/74/565345974.db2.gz ZRBJURPJFNIXKC-QWRGUYRKSA-N 0 0 378.372 3.424 10 5 GGBERN CCOC(=O)Cc1csc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000273918310 565346357 /nfs/dbraw/zinc/34/63/57/565346357.db2.gz BFRQAIHUTNICJK-UHFFFAOYSA-N 0 0 383.813 3.371 10 5 GGBERN Cc1nnsc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000297008265 565351118 /nfs/dbraw/zinc/35/11/18/565351118.db2.gz GGFOTRQWOZZFGN-UHFFFAOYSA-N 0 0 386.231 3.147 10 5 GGBERN CO[C@@H]1COCC[C@@H]1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000297055533 565353176 /nfs/dbraw/zinc/35/31/76/565353176.db2.gz MFJBTRODDAYNLJ-QMTHXVAHSA-N 0 0 387.230 3.046 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000164150529 565356131 /nfs/dbraw/zinc/35/61/31/565356131.db2.gz SUTXVPLNUIETOR-HNNXBMFYSA-N 0 0 381.479 3.151 10 5 GGBERN Cc1c(Br)cc(C(=O)NCc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000164263926 565357394 /nfs/dbraw/zinc/35/73/94/565357394.db2.gz WSJFVUXNUGFXDF-UHFFFAOYSA-N 0 0 393.241 3.057 10 5 GGBERN Cc1c(NC(=O)NCc2nnc(C(C)C)[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000297147363 565358860 /nfs/dbraw/zinc/35/88/60/565358860.db2.gz PHCIPZKSQKZJRY-UHFFFAOYSA-N 0 0 397.233 3.229 10 5 GGBERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cs1 ZINC000188013632 565370925 /nfs/dbraw/zinc/37/09/25/565370925.db2.gz WCKHWTKCOVZPID-ZDUSSCGKSA-N 0 0 385.442 3.333 10 5 GGBERN Cc1nc([C@H]2CCCN2S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cs1 ZINC000188018228 565371235 /nfs/dbraw/zinc/37/12/35/565371235.db2.gz JFKDQGJFBGBTEE-CYBMUJFWSA-N 0 0 385.442 3.333 10 5 GGBERN O=[N+]([O-])c1cnc(N[C@@H](c2nc[nH]n2)c2ccccc2)c(Br)c1 ZINC000375174557 565372930 /nfs/dbraw/zinc/37/29/30/565372930.db2.gz HBOFBCRJRNPSSQ-GFCCVEGCSA-N 0 0 375.186 3.072 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccccc2I)nc1 ZINC000375200097 565374609 /nfs/dbraw/zinc/37/46/09/565374609.db2.gz FSGDEQIPRSDWIJ-CYBMUJFWSA-N 0 0 396.188 3.331 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375259112 565378425 /nfs/dbraw/zinc/37/84/25/565378425.db2.gz ULRCKLUWABGTHR-SECBINFHSA-N 0 0 380.202 3.007 10 5 GGBERN Cc1cnc(CCN(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000167367729 565378645 /nfs/dbraw/zinc/37/86/45/565378645.db2.gz VIWHKGMYBXBUIY-UHFFFAOYSA-N 0 0 389.886 3.185 10 5 GGBERN CC(C)(CCC(=O)Nc1cc(Br)cnc1Br)[N+](=O)[O-] ZINC000297762308 565385394 /nfs/dbraw/zinc/38/53/94/565385394.db2.gz PJTSMFNXUGGKHR-UHFFFAOYSA-N 0 0 395.051 3.381 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000170794694 565393235 /nfs/dbraw/zinc/39/32/35/565393235.db2.gz VPMPZCQIMIRBSP-MRVPVSSYSA-N 0 0 391.268 3.458 10 5 GGBERN CO[C@@H](C)[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000188334367 565395264 /nfs/dbraw/zinc/39/52/64/565395264.db2.gz YJIAXJPNOBEGEO-IUCAKERBSA-N 0 0 387.223 3.241 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000188440559 565401079 /nfs/dbraw/zinc/40/10/79/565401079.db2.gz KUXMLYRUJITRGF-UHFFFAOYSA-N 0 0 394.225 3.094 10 5 GGBERN CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000171012841 565402882 /nfs/dbraw/zinc/40/28/82/565402882.db2.gz TZTASANRRQTQBH-AWEZNQCLSA-N 0 0 384.841 3.214 10 5 GGBERN CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000171012842 565403136 /nfs/dbraw/zinc/40/31/36/565403136.db2.gz TZTASANRRQTQBH-CQSZACIVSA-N 0 0 384.841 3.214 10 5 GGBERN Cn1cc(-c2cc(COc3cc(F)c(Br)cc3[N+](=O)[O-])on2)cn1 ZINC000188645406 565415392 /nfs/dbraw/zinc/41/53/92/565415392.db2.gz VJXGYMVXPOVPDU-UHFFFAOYSA-N 0 0 397.160 3.464 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccccc3Br)CC2)n1 ZINC000275835474 565429362 /nfs/dbraw/zinc/42/93/62/565429362.db2.gz SUXMFDPUPPWCMC-UHFFFAOYSA-N 0 0 393.241 3.111 10 5 GGBERN COc1cc(Br)ccc1[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000189141400 565445794 /nfs/dbraw/zinc/44/57/94/565445794.db2.gz CDVWEHVYOOQLAR-VIFPVBQESA-N 0 0 394.225 3.439 10 5 GGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1[nH]nc2ccc(Br)cc21 ZINC000171773014 565450966 /nfs/dbraw/zinc/45/09/66/565450966.db2.gz DVMINOASNWMAKC-UHFFFAOYSA-N 0 0 375.182 3.164 10 5 GGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Br)cc2OC)c1 ZINC000189249763 565453791 /nfs/dbraw/zinc/45/37/91/565453791.db2.gz FXEYRSKLLZABBW-UHFFFAOYSA-N 0 0 395.209 3.305 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Br)cc1OC ZINC000189250716 565453894 /nfs/dbraw/zinc/45/38/94/565453894.db2.gz VQONYRMKYOZZFJ-UHFFFAOYSA-N 0 0 395.209 3.305 10 5 GGBERN O=C1CCCN1[C@@H]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000276679930 565456369 /nfs/dbraw/zinc/45/63/69/565456369.db2.gz FUPHWJOVKOBTHH-SECBINFHSA-N 0 0 377.750 3.468 10 5 GGBERN CCn1c(SC[C@H](O)CC(F)(F)F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000189388022 565462573 /nfs/dbraw/zinc/46/25/73/565462573.db2.gz ORLXMJBKXUERIC-LLVKDONJSA-N 0 0 376.360 3.279 10 5 GGBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(Br)cc1 ZINC000301066008 565463036 /nfs/dbraw/zinc/46/30/36/565463036.db2.gz CHEMJQFCIOZTII-UHFFFAOYSA-N 0 0 393.241 3.241 10 5 GGBERN C[C@H](CCc1ccc(Br)cc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301108450 565465165 /nfs/dbraw/zinc/46/51/65/565465165.db2.gz VASLUKKSRXFWLD-SNVBAGLBSA-N 0 0 393.241 3.284 10 5 GGBERN Cc1csc([C@H]2CCCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)n1 ZINC000301129217 565465679 /nfs/dbraw/zinc/46/56/79/565465679.db2.gz QHSQZEOTVVOYTH-LBPRGKRZSA-N 0 0 381.479 3.147 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC[C@@](CO)(c3ccccc3)C2)c(Br)c1 ZINC000377150650 565467660 /nfs/dbraw/zinc/46/76/60/565467660.db2.gz HOHCKXBECKVSLQ-QGZVFWFLSA-N 0 0 392.253 3.283 10 5 GGBERN NC(=O)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301186463 565470436 /nfs/dbraw/zinc/47/04/36/565470436.db2.gz JVVOCRZMZAWPOF-LLVKDONJSA-N 0 0 396.216 3.253 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC[C@@H](c3ccccc3)O2)s1 ZINC000377329681 565475024 /nfs/dbraw/zinc/47/50/24/565475024.db2.gz ILXHBUSDLZFJBB-OCCSQVGLSA-N 0 0 382.463 3.392 10 5 GGBERN O=C(NCCNc1ncc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000301251807 565475469 /nfs/dbraw/zinc/47/54/69/565475469.db2.gz BTVBJPHALXFPIE-UHFFFAOYSA-N 0 0 399.632 3.248 10 5 GGBERN CNC(=O)c1ccc(N2CCc3cccc(Br)c3C2)c([N+](=O)[O-])c1 ZINC000301280913 565476724 /nfs/dbraw/zinc/47/67/24/565476724.db2.gz KJZUCFOJCBAPLU-UHFFFAOYSA-N 0 0 390.237 3.280 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCCC[C@@H]1CN1CCOCC1 ZINC000301269888 565477176 /nfs/dbraw/zinc/47/71/76/565477176.db2.gz QOCQKNWHXRTXRX-CQSZACIVSA-N 0 0 384.274 3.048 10 5 GGBERN Cc1sc(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000189657325 565479643 /nfs/dbraw/zinc/47/96/43/565479643.db2.gz XMBRWKJWSZOGDW-SECBINFHSA-N 0 0 379.404 3.357 10 5 GGBERN CCC[C@@]1(CO)CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000377529622 565484747 /nfs/dbraw/zinc/48/47/47/565484747.db2.gz FRWWLEZWLDDVMH-OAHLLOKOSA-N 0 0 386.246 3.374 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301411872 565485093 /nfs/dbraw/zinc/48/50/93/565485093.db2.gz KMRSOXBWHFQBTA-GHMZBOCLSA-N 0 0 376.356 3.291 10 5 GGBERN CCCc1n[nH]c(C(=O)N2CCc3cccc(Br)c3C2)c1[N+](=O)[O-] ZINC000172449630 565485807 /nfs/dbraw/zinc/48/58/07/565485807.db2.gz JEJQWXHTLCSFEL-UHFFFAOYSA-N 0 0 393.241 3.231 10 5 GGBERN Cc1cc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301472183 565488095 /nfs/dbraw/zinc/48/80/95/565488095.db2.gz KPJMECNNJXGJCA-JTQLQIEISA-N 0 0 379.766 3.452 10 5 GGBERN O=[N+]([O-])c1cnc(Sc2ncn(-c3ccccc3)n2)c(Br)c1 ZINC000301520523 565491855 /nfs/dbraw/zinc/49/18/55/565491855.db2.gz GRYOKIBEOOTGKZ-UHFFFAOYSA-N 0 0 378.211 3.484 10 5 GGBERN O=[N+]([O-])c1cnc(NC2CCN(c3ccccn3)CC2)c(Br)c1 ZINC000301530724 565493906 /nfs/dbraw/zinc/49/39/06/565493906.db2.gz KYFBGJWCQSXTRF-UHFFFAOYSA-N 0 0 378.230 3.228 10 5 GGBERN COC(=O)c1cc(Br)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172681221 565498953 /nfs/dbraw/zinc/49/89/53/565498953.db2.gz DVZKZKRSCHHBAS-UHFFFAOYSA-N 0 0 393.193 3.325 10 5 GGBERN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000189971559 565499581 /nfs/dbraw/zinc/49/95/81/565499581.db2.gz NRUMFDLYCMMFEW-CYBMUJFWSA-N 0 0 381.479 3.236 10 5 GGBERN CCOC(=O)c1sc([C@@H](C)Nc2nc3sccn3c2[N+](=O)[O-])nc1C ZINC000301618002 565499855 /nfs/dbraw/zinc/49/98/55/565499855.db2.gz WLKIDIHNXJALFN-MRVPVSSYSA-N 0 0 381.439 3.419 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCOCc1ccc(Cl)cc1 ZINC000189978187 565500418 /nfs/dbraw/zinc/50/04/18/565500418.db2.gz XYGVZPOWUFGBSU-UHFFFAOYSA-N 0 0 384.841 3.280 10 5 GGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3ncccc3Cl)C2)c(Br)c1 ZINC000301628124 565500620 /nfs/dbraw/zinc/50/06/20/565500620.db2.gz RHDIUALOVMYNPB-SECBINFHSA-N 0 0 398.648 3.492 10 5 GGBERN COc1ccc(Br)cc1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172717319 565501009 /nfs/dbraw/zinc/50/10/09/565501009.db2.gz ZIXSYLXELQAWET-UHFFFAOYSA-N 0 0 391.221 3.498 10 5 GGBERN COc1cc(OC)c(CNc2ncc(Br)cc2[N+](=O)[O-])c(OC)c1 ZINC000301682785 565504599 /nfs/dbraw/zinc/50/45/99/565504599.db2.gz KHJOTWSZKWKGSM-UHFFFAOYSA-N 0 0 398.213 3.390 10 5 GGBERN O=C(C1CCCCC1)N1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301681492 565504782 /nfs/dbraw/zinc/50/47/82/565504782.db2.gz TUNCWDQOFFFLKA-ZDUSSCGKSA-N 0 0 397.273 3.345 10 5 GGBERN COc1cc(CNc2ncc(Br)cc2[N+](=O)[O-])cc(OC)c1O ZINC000301682802 565504796 /nfs/dbraw/zinc/50/47/96/565504796.db2.gz KIMQOZHIOMGISB-UHFFFAOYSA-N 0 0 384.186 3.087 10 5 GGBERN Cc1ccc(C)c(S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000190074370 565506262 /nfs/dbraw/zinc/50/62/62/565506262.db2.gz XEYBEHSWLRVKBG-CYBMUJFWSA-N 0 0 382.463 3.035 10 5 GGBERN CO[C@@H]1C[C@H](c2nc(C)no2)N(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000190089323 565507506 /nfs/dbraw/zinc/50/75/06/565507506.db2.gz YTNVPSZCARMPPP-ZWNOBZJWSA-N 0 0 383.202 3.015 10 5 GGBERN CO[C@H]1C[C@@H](c2nc(C)no2)N(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000190089279 565507642 /nfs/dbraw/zinc/50/76/42/565507642.db2.gz YTNVPSZCARMPPP-GWCFXTLKSA-N 0 0 383.202 3.015 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCc1cc(Cl)ccc1Br ZINC000301737315 565508069 /nfs/dbraw/zinc/50/80/69/565508069.db2.gz IFCOGRDMHIXUDW-UHFFFAOYSA-N 0 0 399.632 3.159 10 5 GGBERN O=[N+]([O-])c1c(N2CCC[C@H](Oc3ccc(Cl)cn3)C2)nc2sccn21 ZINC000301784715 565509281 /nfs/dbraw/zinc/50/92/81/565509281.db2.gz OYQJEYDNGINOAU-NSHDSACASA-N 0 0 379.829 3.400 10 5 GGBERN CS(=O)(=O)c1cccc(NCCc2ccc(Br)o2)c1[N+](=O)[O-] ZINC000301898762 565516262 /nfs/dbraw/zinc/51/62/62/565516262.db2.gz SMXQHUQZRDPQBP-UHFFFAOYSA-N 0 0 389.227 3.008 10 5 GGBERN COc1ccccc1N1CC[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301900521 565517445 /nfs/dbraw/zinc/51/74/45/565517445.db2.gz UUPKQUOYLDIZEI-NSHDSACASA-N 0 0 393.241 3.452 10 5 GGBERN COc1ccccc1N1CC[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301900520 565517840 /nfs/dbraw/zinc/51/78/40/565517840.db2.gz UUPKQUOYLDIZEI-LLVKDONJSA-N 0 0 393.241 3.452 10 5 GGBERN CCO[C@@H]1C[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000301924088 565518747 /nfs/dbraw/zinc/51/87/47/565518747.db2.gz FZZXIQYIYWRZRH-CHWSQXEVSA-N 0 0 388.511 3.234 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(NCCc3ccc(F)c(Br)c3)nn21 ZINC000301960725 565521045 /nfs/dbraw/zinc/52/10/45/565521045.db2.gz HQZTYNOQXUDBHN-UHFFFAOYSA-N 0 0 380.177 3.194 10 5 GGBERN CS(=O)(=O)Cc1nc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 ZINC000173030994 565521554 /nfs/dbraw/zinc/52/15/54/565521554.db2.gz NKUTUJQFDHBJHQ-UHFFFAOYSA-N 0 0 396.368 3.194 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccccc2Br)n1 ZINC000378406651 565525212 /nfs/dbraw/zinc/52/52/12/565525212.db2.gz UWDSAJQKOOKTCU-GFCCVEGCSA-N 0 0 379.214 3.068 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2cc(F)c(F)c(F)c2)s1 ZINC000302036427 565526742 /nfs/dbraw/zinc/52/67/42/565526742.db2.gz PNVCXBIFKVSAAE-UHFFFAOYSA-N 0 0 380.369 3.132 10 5 GGBERN C[C@H]1CCOCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000378445135 565527201 /nfs/dbraw/zinc/52/72/01/565527201.db2.gz RSIMTULWZNLTLK-QMMMGPOBSA-N 0 0 377.622 3.262 10 5 GGBERN CC1(C)CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000190401281 565528651 /nfs/dbraw/zinc/52/86/51/565528651.db2.gz ITUKOASVCIJRPB-CYBMUJFWSA-N 0 0 380.388 3.335 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cc[nH]c(=O)c2C1 ZINC000277953378 565530677 /nfs/dbraw/zinc/53/06/77/565530677.db2.gz WHMMZERZHGQGJX-UHFFFAOYSA-N 0 0 379.825 3.026 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190430564 565532135 /nfs/dbraw/zinc/53/21/35/565532135.db2.gz YYDFJZDBKSEKSG-UHFFFAOYSA-N 0 0 378.479 3.490 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N3CCc4c(Br)ccc(F)c4C3)nn21 ZINC000302133519 565532958 /nfs/dbraw/zinc/53/29/58/565532958.db2.gz LIGYIVXTKHJTJR-UHFFFAOYSA-N 0 0 392.188 3.102 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302173097 565534746 /nfs/dbraw/zinc/53/47/46/565534746.db2.gz NBXRULVWUJOVKY-UHFFFAOYSA-N 0 0 394.229 3.397 10 5 GGBERN O=[N+]([O-])c1cnc(Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)nc1 ZINC000302178920 565534796 /nfs/dbraw/zinc/53/47/96/565534796.db2.gz YIJACJAENJYBGW-UHFFFAOYSA-N 0 0 376.707 3.251 10 5 GGBERN Cc1noc(C)c1CO[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000302178692 565534892 /nfs/dbraw/zinc/53/48/92/565534892.db2.gz XIMUMCDLAGEZBX-LLVKDONJSA-N 0 0 397.229 3.153 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccc(I)cc2)nc1 ZINC000302171002 565535095 /nfs/dbraw/zinc/53/50/95/565535095.db2.gz URKIWHLYJKZZRQ-CYBMUJFWSA-N 0 0 396.188 3.331 10 5 GGBERN CC[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000302176995 565535162 /nfs/dbraw/zinc/53/51/62/565535162.db2.gz NASLSJBEKQOUNQ-VIFPVBQESA-N 0 0 380.451 3.499 10 5 GGBERN C[C@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000190497084 565536592 /nfs/dbraw/zinc/53/65/92/565536592.db2.gz BLEMVCNAAZJSNP-KRWDZBQOSA-N 0 0 399.285 3.347 10 5 GGBERN CCC1(CC)CN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000302227901 565538192 /nfs/dbraw/zinc/53/81/92/565538192.db2.gz VAVUMMLPDCOOIS-VWLOTQADSA-N 0 0 388.873 3.162 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000378647241 565538412 /nfs/dbraw/zinc/53/84/12/565538412.db2.gz IEGZZBJTWVZGKZ-NSHDSACASA-N 0 0 399.270 3.369 10 5 GGBERN CNC(=O)c1ccc(NCc2ccc(Br)cc2OC)c([N+](=O)[O-])c1 ZINC000302510301 565543191 /nfs/dbraw/zinc/54/31/91/565543191.db2.gz NZVLUDRUCLLDJC-UHFFFAOYSA-N 0 0 394.225 3.338 10 5 GGBERN Cc1cc(N(C)Cc2cnc(N(C)C)nc2)c(Br)cc1[N+](=O)[O-] ZINC000302637687 565548767 /nfs/dbraw/zinc/54/87/67/565548767.db2.gz DFOFFNWRTUYECQ-UHFFFAOYSA-N 0 0 380.246 3.158 10 5 GGBERN C[C@H]1CSCCN(c2nc(N3CCSC[C@@H](C)C3)sc2[N+](=O)[O-])C1 ZINC000302688500 565549708 /nfs/dbraw/zinc/54/97/08/565549708.db2.gz BRIPWWLGHXDQEV-NEPJUHHUSA-N 0 0 388.584 3.430 10 5 GGBERN C[C@H]1CSCCN(c2nc(N3CCSC[C@@H](C)C3)c([N+](=O)[O-])s2)C1 ZINC000302688501 565549909 /nfs/dbraw/zinc/54/99/09/565549909.db2.gz BRIPWWLGHXDQEV-NWDGAFQWSA-N 0 0 388.584 3.430 10 5 GGBERN C[C@@H]1CSCCN(c2nc(N3CCSC[C@@H](C)C3)c([N+](=O)[O-])s2)C1 ZINC000302688502 565550064 /nfs/dbraw/zinc/55/00/64/565550064.db2.gz BRIPWWLGHXDQEV-RYUDHWBXSA-N 0 0 388.584 3.430 10 5 GGBERN CCc1n[nH]c(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)n1 ZINC000302729760 565553046 /nfs/dbraw/zinc/55/30/46/565553046.db2.gz RFFPSESPCZBRNR-UHFFFAOYSA-N 0 0 380.246 3.422 10 5 GGBERN O=[N+]([O-])c1cnc(N(CCO)Cc2cccc(Cl)c2)c(Br)c1 ZINC000302742581 565554812 /nfs/dbraw/zinc/55/48/12/565554812.db2.gz RQDZBVHVDIMSKA-UHFFFAOYSA-N 0 0 386.633 3.405 10 5 GGBERN C[C@H]1COCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000278462259 565559627 /nfs/dbraw/zinc/55/96/27/565559627.db2.gz JDJUHPLRFUGREZ-XVKPBYJWSA-N 0 0 377.622 3.166 10 5 GGBERN Cc1c(Br)c(=O)n(CCCC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000391509156 565561617 /nfs/dbraw/zinc/56/16/17/565561617.db2.gz KOKSCCRRLASNFL-UHFFFAOYSA-N 0 0 379.210 3.491 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000408001833 565589907 /nfs/dbraw/zinc/58/99/07/565589907.db2.gz BDWDNKQIGANYGI-IAQYHMDHSA-N 0 0 383.242 3.307 10 5 GGBERN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)n1 ZINC000173820688 565590087 /nfs/dbraw/zinc/59/00/87/565590087.db2.gz ALPTWUBEPCYADT-LLVKDONJSA-N 0 0 385.442 3.067 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000408003304 565590587 /nfs/dbraw/zinc/59/05/87/565590587.db2.gz IABQASRSTYPXCW-CABCVRRESA-N 0 0 383.242 3.449 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408003316 565590643 /nfs/dbraw/zinc/59/06/43/565590643.db2.gz IABQASRSTYPXCW-LSDHHAIUSA-N 0 0 383.242 3.449 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408003313 565591224 /nfs/dbraw/zinc/59/12/24/565591224.db2.gz IABQASRSTYPXCW-GJZGRUSLSA-N 0 0 383.242 3.449 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](C3CCCCC3)C2)c(Cl)c1 ZINC000408212046 565598965 /nfs/dbraw/zinc/59/89/65/565598965.db2.gz TXVSOASQSREIJN-HNNXBMFYSA-N 0 0 388.873 3.218 10 5 GGBERN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000173969551 565602762 /nfs/dbraw/zinc/60/27/62/565602762.db2.gz AQMWUUJZIDXPKZ-LBPRGKRZSA-N 0 0 379.404 3.279 10 5 GGBERN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000408300578 565602992 /nfs/dbraw/zinc/60/29/92/565602992.db2.gz IRTCWRLGVAHCPU-VIFPVBQESA-N 0 0 377.260 3.166 10 5 GGBERN CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)C[C@@]2(CCOC2)O1 ZINC000408337686 565604433 /nfs/dbraw/zinc/60/44/33/565604433.db2.gz VTIGZLHYKPTYOO-BLLLJJGKSA-N 0 0 385.258 3.440 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)n1 ZINC000191476078 565606851 /nfs/dbraw/zinc/60/68/51/565606851.db2.gz RMZCJMBPLJZRLY-VIFPVBQESA-N 0 0 397.229 3.073 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)n1 ZINC000191476093 565606986 /nfs/dbraw/zinc/60/69/86/565606986.db2.gz RMZCJMBPLJZRLY-SECBINFHSA-N 0 0 397.229 3.073 10 5 GGBERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1Br ZINC000174052830 565609457 /nfs/dbraw/zinc/60/94/57/565609457.db2.gz RQDHGKYMDQSGAK-GJZGRUSLSA-N 0 0 393.241 3.468 10 5 GGBERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1Br ZINC000174052816 565609664 /nfs/dbraw/zinc/60/96/64/565609664.db2.gz RQDHGKYMDQSGAK-LSDHHAIUSA-N 0 0 393.241 3.468 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCC23CCC3)c1 ZINC000408437075 565609717 /nfs/dbraw/zinc/60/97/17/565609717.db2.gz OQEZBGWFGTWZTN-UHFFFAOYSA-N 0 0 375.244 3.065 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC23CCC3)c(Br)c1 ZINC000408436688 565609933 /nfs/dbraw/zinc/60/99/33/565609933.db2.gz HHVMGIWLOASGSZ-UHFFFAOYSA-N 0 0 375.244 3.065 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)c2cccc(Br)c2)n1 ZINC000191589820 565616058 /nfs/dbraw/zinc/61/60/58/565616058.db2.gz JGFHWCLWIRMMFJ-UHFFFAOYSA-N 0 0 395.257 3.281 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(Br)c3)CC2)n1 ZINC000191617446 565617254 /nfs/dbraw/zinc/61/72/54/565617254.db2.gz MQZPLLPJJHNXTJ-UHFFFAOYSA-N 0 0 393.241 3.035 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000191619345 565618144 /nfs/dbraw/zinc/61/81/44/565618144.db2.gz PPLABLFJZZROFM-CQSZACIVSA-N 0 0 380.857 3.395 10 5 GGBERN O=C(NCCc1cnc(C2CC2)nc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000409488505 565619588 /nfs/dbraw/zinc/61/95/88/565619588.db2.gz XRJRSQYJNNXUQX-UHFFFAOYSA-N 0 0 397.254 3.059 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)c2ccccc2Br)n1 ZINC000191681059 565620648 /nfs/dbraw/zinc/62/06/48/565620648.db2.gz LUAFLJQSESSBTP-UHFFFAOYSA-N 0 0 395.257 3.281 10 5 GGBERN CCOc1cc(Br)ccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191674380 565620655 /nfs/dbraw/zinc/62/06/55/565620655.db2.gz LRUJPLADWSLUDC-UHFFFAOYSA-N 0 0 383.202 3.225 10 5 GGBERN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc([N+](=O)[O-])ncc1Br ZINC000326287170 565624041 /nfs/dbraw/zinc/62/40/41/565624041.db2.gz ZIRUWAUOLNDSNE-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cc3nc(C)oc32)n1 ZINC000191715016 565624384 /nfs/dbraw/zinc/62/43/84/565624384.db2.gz ZXZLIYXWYOWHOM-UHFFFAOYSA-N 0 0 394.185 3.276 10 5 GGBERN NC(=O)c1ccc(N[C@@H]2CCOc3c(Br)cccc32)c([N+](=O)[O-])c1 ZINC000409642593 565630501 /nfs/dbraw/zinc/63/05/01/565630501.db2.gz ZALAERFSAYTXBX-GFCCVEGCSA-N 0 0 392.209 3.392 10 5 GGBERN CO[C@@H]1CC[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000191764015 565630567 /nfs/dbraw/zinc/63/05/67/565630567.db2.gz MGNAXXJISALKFO-WDEREUQCSA-N 0 0 378.372 3.389 10 5 GGBERN Cc1ccccc1[C@@]1(F)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000409658188 565631074 /nfs/dbraw/zinc/63/10/74/565631074.db2.gz RZYJVWLFVUWHKE-MRXNPFEDSA-N 0 0 384.454 3.443 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2C(F)F)c(C(F)(F)F)c1 ZINC000409919330 565649054 /nfs/dbraw/zinc/64/90/54/565649054.db2.gz BTIFHVWSNZFLPW-JTQLQIEISA-N 0 0 388.314 3.422 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCc2c[nH]c3ccc(F)cc23)s1 ZINC000409934485 565649560 /nfs/dbraw/zinc/64/95/60/565649560.db2.gz UUVKVKDOJXXHGT-UHFFFAOYSA-N 0 0 383.426 3.188 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCOCc3ccccc32)c1 ZINC000280117163 565652401 /nfs/dbraw/zinc/65/24/01/565652401.db2.gz AILRTURXXDZBLK-UHFFFAOYSA-N 0 0 382.825 3.282 10 5 GGBERN CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280439482 565673173 /nfs/dbraw/zinc/67/31/73/565673173.db2.gz BXJVEAOLOYGELL-ZDUSSCGKSA-N 0 0 386.246 3.155 10 5 GGBERN CC(C)=CCCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280523477 565677786 /nfs/dbraw/zinc/67/77/86/565677786.db2.gz CKLKUAGWJAZFCY-UHFFFAOYSA-N 0 0 384.230 3.077 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000175116413 565680080 /nfs/dbraw/zinc/68/00/80/565680080.db2.gz OQQJBYPPDDNPFA-CYBMUJFWSA-N 0 0 381.479 3.236 10 5 GGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000175192986 565683494 /nfs/dbraw/zinc/68/34/94/565683494.db2.gz GWELQFBJTKEFNY-VHSXEESVSA-N 0 0 388.205 3.460 10 5 GGBERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192362566 565683491 /nfs/dbraw/zinc/68/34/91/565683491.db2.gz IAIGOPONTHYDCH-JTQLQIEISA-N 0 0 399.241 3.161 10 5 GGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000175192929 565683781 /nfs/dbraw/zinc/68/37/81/565683781.db2.gz GWELQFBJTKEFNY-ZJUUUORDSA-N 0 0 388.205 3.460 10 5 GGBERN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1n1ccnc1 ZINC000192366647 565683777 /nfs/dbraw/zinc/68/37/77/565683777.db2.gz CVSDWMLIBBQCDC-RISCZKNCSA-N 0 0 393.241 3.277 10 5 GGBERN CCc1nnc([C@@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[nH]1 ZINC000280640566 565685956 /nfs/dbraw/zinc/68/59/56/565685956.db2.gz BEFMSBBPAJJPES-MRVPVSSYSA-N 0 0 397.233 3.229 10 5 GGBERN Cc1c(NC(=O)N(C)C[C@H]2CCC[C@@H]2O)cc(Br)cc1[N+](=O)[O-] ZINC000280632632 565685978 /nfs/dbraw/zinc/68/59/78/565685978.db2.gz AKLLZQMUCFXBKB-YGRLFVJLSA-N 0 0 386.246 3.290 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CC[C@H](CO)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280690475 565688925 /nfs/dbraw/zinc/68/89/25/565688925.db2.gz GSWKSNDQPNRPPV-UMSPYCQHSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1c(NC(=O)C(=O)N(C)[C@H](C)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280693296 565689051 /nfs/dbraw/zinc/68/90/51/565689051.db2.gz GMCBVWHSJLSOAM-SNVBAGLBSA-N 0 0 386.246 3.107 10 5 GGBERN Cc1c(NC(=O)N2CCOC3(CCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280724884 565691544 /nfs/dbraw/zinc/69/15/44/565691544.db2.gz JXOCQTCADYGCEH-UHFFFAOYSA-N 0 0 384.230 3.453 10 5 GGBERN CC[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)N1CCCC1=O ZINC000280806967 565696580 /nfs/dbraw/zinc/69/65/80/565696580.db2.gz VJDWSZKTQNOEBY-GFCCVEGCSA-N 0 0 384.230 3.005 10 5 GGBERN Cc1c(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280844019 565700176 /nfs/dbraw/zinc/70/01/76/565700176.db2.gz ZFFGTHPLGSVXEE-PWSUYJOCSA-N 0 0 387.230 3.188 10 5 GGBERN Cc1nc([C@](C)(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C2CC2)no1 ZINC000410981828 565703667 /nfs/dbraw/zinc/70/36/67/565703667.db2.gz VLFFQSJEPWVPCB-OAHLLOKOSA-N 0 0 395.213 3.104 10 5 GGBERN Cn1nccc1[C@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000281013867 565707603 /nfs/dbraw/zinc/70/76/03/565707603.db2.gz BQPBQBJQMULJBX-OAHLLOKOSA-N 0 0 393.241 3.458 10 5 GGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000281010285 565707883 /nfs/dbraw/zinc/70/78/83/565707883.db2.gz FGCOSPARYRUEAX-HNNXBMFYSA-N 0 0 393.241 3.458 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000330477757 565708722 /nfs/dbraw/zinc/70/87/22/565708722.db2.gz WSUNOTSVJZMEKU-PSASIEDQSA-N 0 0 384.230 3.442 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCc3c(Cl)ccc(Br)c32)n1 ZINC000411110091 565712174 /nfs/dbraw/zinc/71/21/74/565712174.db2.gz OAALTQJTZJTVAJ-UHFFFAOYSA-N 0 0 399.632 3.337 10 5 GGBERN Cc1cnc([C@H](C)NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000175620252 565712705 /nfs/dbraw/zinc/71/27/05/565712705.db2.gz IFNXDLBEOLFHFL-VIFPVBQESA-N 0 0 375.859 3.361 10 5 GGBERN COC(=O)[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000175707912 565718759 /nfs/dbraw/zinc/71/87/59/565718759.db2.gz YTGLFSKXZZPLIB-CQSZACIVSA-N 0 0 393.193 3.001 10 5 GGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175720798 565718798 /nfs/dbraw/zinc/71/87/98/565718798.db2.gz PCUWWJPBZAGPOF-VIFPVBQESA-N 0 0 387.230 3.160 10 5 GGBERN CCC1(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCC1 ZINC000281228746 565718898 /nfs/dbraw/zinc/71/88/98/565718898.db2.gz UAMMMOQYCGHXBW-UHFFFAOYSA-N 0 0 384.230 3.053 10 5 GGBERN COC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000192929225 565719631 /nfs/dbraw/zinc/71/96/31/565719631.db2.gz KTIZZOFVRXIDJR-MRXNPFEDSA-N 0 0 384.841 3.055 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)C ZINC000193252456 565741237 /nfs/dbraw/zinc/74/12/37/565741237.db2.gz QOSQBYHWMHKVHE-VIFPVBQESA-N 0 0 376.194 3.282 10 5 GGBERN CC1(C)CCC[C@@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000331249016 565749483 /nfs/dbraw/zinc/74/94/83/565749483.db2.gz NXNASVDUTJJOCU-KRWDZBQOSA-N 0 0 399.285 3.347 10 5 GGBERN COC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000176150301 565753663 /nfs/dbraw/zinc/75/36/63/565753663.db2.gz BZFJQAKAOYBMCO-INIZCTEOSA-N 0 0 393.237 3.404 10 5 GGBERN CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000193826077 565778409 /nfs/dbraw/zinc/77/84/09/565778409.db2.gz KNWJTNGZTPUCMA-UHFFFAOYSA-N 0 0 387.230 3.161 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000194053395 565791776 /nfs/dbraw/zinc/79/17/76/565791776.db2.gz JZCNONWIUIMEJZ-GFCCVEGCSA-N 0 0 378.230 3.228 10 5 GGBERN C[C@@H]1CC(C)(C)CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000412775783 565811771 /nfs/dbraw/zinc/81/17/71/565811771.db2.gz FHNAIUDUCSYQFD-SECBINFHSA-N 0 0 388.205 3.460 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(F)cc2Br)s1 ZINC000194407854 565812361 /nfs/dbraw/zinc/81/23/61/565812361.db2.gz MUHJCJDOJDQAJN-UHFFFAOYSA-N 0 0 395.231 3.036 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000177268320 565839815 /nfs/dbraw/zinc/83/98/15/565839815.db2.gz MDWVSVMDSPLXTQ-JTQLQIEISA-N 0 0 394.225 3.258 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000194858126 565842965 /nfs/dbraw/zinc/84/29/65/565842965.db2.gz YEGJMNXUHFPBRX-UHFFFAOYSA-N 0 0 376.210 3.480 10 5 GGBERN CCOC(=O)c1nnc(Sc2ncc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000413275567 565843522 /nfs/dbraw/zinc/84/35/22/565843522.db2.gz XTQGPAWVVVNOMH-UHFFFAOYSA-N 0 0 380.329 3.188 10 5 GGBERN CC(C)(C)C1=CCN(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000413278405 565843651 /nfs/dbraw/zinc/84/36/51/565843651.db2.gz HSAUBNOOSBGKSI-UHFFFAOYSA-N 0 0 387.527 3.150 10 5 GGBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1ccc(Br)c(F)c1 ZINC000177461526 565852889 /nfs/dbraw/zinc/85/28/89/565852889.db2.gz RYNVTVHWLQUIGT-UHFFFAOYSA-N 0 0 378.157 3.255 10 5 GGBERN O=C1Nc2ccccc2[C@@H]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000177543390 565858541 /nfs/dbraw/zinc/85/85/41/565858541.db2.gz KETRLWYQHAZFLJ-NSHDSACASA-N 0 0 377.198 3.290 10 5 GGBERN Cc1cc(N2CC(CO)(c3ccccc3)C2)c(Br)cc1[N+](=O)[O-] ZINC000413545110 565859301 /nfs/dbraw/zinc/85/93/01/565859301.db2.gz CPRIZAAANFJJRG-UHFFFAOYSA-N 0 0 377.238 3.416 10 5 GGBERN COC(=O)[C@H]1CSCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000413604416 565862938 /nfs/dbraw/zinc/86/29/38/565862938.db2.gz IYKYRZNWGIQOLS-GFCCVEGCSA-N 0 0 379.463 3.061 10 5 GGBERN CC[C@H](NC(=O)c1cc(I)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000177792935 565874217 /nfs/dbraw/zinc/87/42/17/565874217.db2.gz HRFCHESQKOOISS-LBPRGKRZSA-N 0 0 399.188 3.409 10 5 GGBERN Cc1ccc(I)c(C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000195329699 565877182 /nfs/dbraw/zinc/87/71/82/565877182.db2.gz MOXDPRGXVXNVJO-UHFFFAOYSA-N 0 0 396.184 3.438 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(I)c1 ZINC000195524150 565889589 /nfs/dbraw/zinc/88/95/89/565889589.db2.gz JMNIVNAFFJRLRQ-UHFFFAOYSA-N 0 0 383.145 3.155 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285423177 565906844 /nfs/dbraw/zinc/90/68/44/565906844.db2.gz VXNIINKFVXTWDN-LBPRGKRZSA-N 0 0 384.845 3.196 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000333985200 565907436 /nfs/dbraw/zinc/90/74/36/565907436.db2.gz YWYLWUNSBYCCRW-ZJUUUORDSA-N 0 0 384.230 3.490 10 5 GGBERN O=[N+]([O-])c1c(Oc2ccc(I)nc2)nc2sccn21 ZINC000225472530 565914381 /nfs/dbraw/zinc/91/43/81/565914381.db2.gz MFSIBFYWUHBBQA-UHFFFAOYSA-N 0 0 388.146 3.096 10 5 GGBERN O=C(Nc1nncn1C1CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000285744377 565924497 /nfs/dbraw/zinc/92/44/97/565924497.db2.gz JOLPJRQQBSQYEO-UHFFFAOYSA-N 0 0 386.593 3.189 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCOc3c(Cl)cccc32)c1 ZINC000178647788 565931346 /nfs/dbraw/zinc/93/13/46/565931346.db2.gz NOGNEZCXTFWIQI-HNNXBMFYSA-N 0 0 382.825 3.191 10 5 GGBERN Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cnn1 ZINC000350107519 565931770 /nfs/dbraw/zinc/93/17/70/565931770.db2.gz LTLKNLCSETWSOP-UHFFFAOYSA-N 0 0 376.170 3.097 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000178947782 565948300 /nfs/dbraw/zinc/94/83/00/565948300.db2.gz CUYYOGXWPZXCLR-MRXNPFEDSA-N 0 0 380.853 3.398 10 5 GGBERN CCN(CCc1nccs1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286309015 565952965 /nfs/dbraw/zinc/95/29/65/565952965.db2.gz HARYPBZCDKJDMK-UHFFFAOYSA-N 0 0 393.849 3.097 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)c[nH]c1=O ZINC000179268462 565969341 /nfs/dbraw/zinc/96/93/41/565969341.db2.gz BBNHHWPQMDQJEH-UHFFFAOYSA-N 0 0 398.238 3.410 10 5 GGBERN CN1C(=O)C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000179466158 565982062 /nfs/dbraw/zinc/98/20/62/565982062.db2.gz VTHYZYDYCQAJQU-DOMZBBRYSA-N 0 0 379.825 3.012 10 5 GGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cncc(Br)c1 ZINC000179576836 565990302 /nfs/dbraw/zinc/99/03/02/565990302.db2.gz NPTLXXYDXVOOJF-UHFFFAOYSA-N 0 0 375.182 3.415 10 5 GGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H]1c1cc[nH]n1 ZINC000287179557 566002301 /nfs/dbraw/zinc/00/23/01/566002301.db2.gz SRFNMSYQOPYBMU-NSHDSACASA-N 0 0 383.177 3.197 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCOC[C@@H]1CC(F)F ZINC000287212307 566004308 /nfs/dbraw/zinc/00/43/08/566004308.db2.gz UUMJVGUOUUCBNZ-VIFPVBQESA-N 0 0 394.172 3.245 10 5 GGBERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc([N+](=O)[O-])ccc1Br ZINC000245773042 566006571 /nfs/dbraw/zinc/00/65/71/566006571.db2.gz GSIPAGIKXZTSOD-ZLKJLUDKSA-N 0 0 381.226 3.045 10 5 GGBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000363889287 566025419 /nfs/dbraw/zinc/02/54/19/566025419.db2.gz OZBBTRCBTYDHNI-CQSZACIVSA-N 0 0 391.225 3.312 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)cc([N+](=O)[O-])c1F ZINC000180076812 566030147 /nfs/dbraw/zinc/03/01/47/566030147.db2.gz IFXUPOCOIBYCNP-NSHDSACASA-N 0 0 385.442 3.067 10 5 GGBERN COC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000180303457 566053360 /nfs/dbraw/zinc/05/33/60/566053360.db2.gz GKOFXGIFNALTSD-UHFFFAOYSA-N 0 0 393.193 3.325 10 5 GGBERN Cc1sc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000180356292 566057183 /nfs/dbraw/zinc/05/71/83/566057183.db2.gz XVYXNLJOPXBQGQ-JTQLQIEISA-N 0 0 382.467 3.204 10 5 GGBERN CCc1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000416395421 566062825 /nfs/dbraw/zinc/06/28/25/566062825.db2.gz YWFOXVSEWUYCMY-UHFFFAOYSA-N 0 0 395.384 3.111 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000180456323 566064455 /nfs/dbraw/zinc/06/44/55/566064455.db2.gz RUNLIEBWIBPGHV-UHFFFAOYSA-N 0 0 378.182 3.100 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCO[C@H](c3cccs3)C2)c(C)cc1[N+](=O)[O-] ZINC000416425302 566066863 /nfs/dbraw/zinc/06/68/63/566066863.db2.gz CWZJYNYAMYXWFS-AWEZNQCLSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)c(C)cc1[N+](=O)[O-] ZINC000416428281 566067598 /nfs/dbraw/zinc/06/75/98/566067598.db2.gz TXGMPYMUSZRWEN-HNNXBMFYSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1cc(S(=O)(=O)N(CCc2nccs2)C(C)C)c(C)cc1[N+](=O)[O-] ZINC000416444208 566068036 /nfs/dbraw/zinc/06/80/36/566068036.db2.gz IDTZPJRRHVJGBD-UHFFFAOYSA-N 0 0 383.495 3.310 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@@H](C)CC(=O)c2cccs2)c(C)cc1[N+](=O)[O-] ZINC000416436978 566068521 /nfs/dbraw/zinc/06/85/21/566068521.db2.gz FTFCMWHDHBVRJL-LBPRGKRZSA-N 0 0 382.463 3.213 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@H](C)CC(=O)c2cccs2)c(C)cc1[N+](=O)[O-] ZINC000416436977 566068685 /nfs/dbraw/zinc/06/86/85/566068685.db2.gz FTFCMWHDHBVRJL-GFCCVEGCSA-N 0 0 382.463 3.213 10 5 GGBERN CO[C@H](C)CN(C(C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416454699 566069710 /nfs/dbraw/zinc/06/97/10/566069710.db2.gz DZGPOUMIABBARD-SNVBAGLBSA-N 0 0 384.376 3.048 10 5 GGBERN Cc1cc(S(=O)(=O)NCc2nc(C(F)(F)F)cs2)c(C)cc1[N+](=O)[O-] ZINC000416450872 566069938 /nfs/dbraw/zinc/06/99/38/566069938.db2.gz AJQTYOWHBRQLGC-UHFFFAOYSA-N 0 0 395.384 3.165 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCSC[C@H]2c2nccs2)c(C)cc1[N+](=O)[O-] ZINC000416466225 566071731 /nfs/dbraw/zinc/07/17/31/566071731.db2.gz PTDTYTFRYBVYFY-ZDUSSCGKSA-N 0 0 399.519 3.147 10 5 GGBERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1Br ZINC000180580132 566074509 /nfs/dbraw/zinc/07/45/09/566074509.db2.gz HWTVARJTKDVESF-CHWSQXEVSA-N 0 0 393.241 3.468 10 5 GGBERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1Br ZINC000180580114 566074852 /nfs/dbraw/zinc/07/48/52/566074852.db2.gz HWTVARJTKDVESF-STQMWFEESA-N 0 0 393.241 3.468 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CC(F)(F)C2)c(Br)c1 ZINC000416499559 566076520 /nfs/dbraw/zinc/07/65/20/566076520.db2.gz BYJKSVDEWHBRFI-UHFFFAOYSA-N 0 0 399.213 3.071 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1nnc2n1CCOC2 ZINC000365085369 566082776 /nfs/dbraw/zinc/08/27/76/566082776.db2.gz LEKPEHXOPANZTR-UHFFFAOYSA-N 0 0 377.710 3.001 10 5 GGBERN COc1ccc(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000416615106 566096347 /nfs/dbraw/zinc/09/63/47/566096347.db2.gz LRRLMNYBQYVGEO-UHFFFAOYSA-N 0 0 384.841 3.219 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)s1 ZINC000416656668 566100784 /nfs/dbraw/zinc/10/07/84/566100784.db2.gz XLFAQNCQHMCGIA-GFCCVEGCSA-N 0 0 388.417 3.330 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000416656015 566100903 /nfs/dbraw/zinc/10/09/03/566100903.db2.gz WWLVHXLJEAKVAR-HNNXBMFYSA-N 0 0 382.825 3.106 10 5 GGBERN O=[N+]([O-])c1cnc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(Br)c1 ZINC000249479137 566102883 /nfs/dbraw/zinc/10/28/83/566102883.db2.gz UYTMYDYJUIUBBU-JQWIXIFHSA-N 0 0 384.255 3.026 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249482409 566102904 /nfs/dbraw/zinc/10/29/04/566102904.db2.gz VYAOWXGHSUVBDE-QWRGUYRKSA-N 0 0 384.255 3.026 10 5 GGBERN Cc1sc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181122731 566116589 /nfs/dbraw/zinc/11/65/89/566116589.db2.gz GQBCMAWODNVFGZ-NSHDSACASA-N 0 0 385.239 3.191 10 5 GGBERN Cc1sc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181122749 566116997 /nfs/dbraw/zinc/11/69/97/566116997.db2.gz GQBCMAWODNVFGZ-LLVKDONJSA-N 0 0 385.239 3.191 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@H](CO)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000417079932 566123351 /nfs/dbraw/zinc/12/33/51/566123351.db2.gz TXBCNSWPJPVNQE-WDEREUQCSA-N 0 0 386.246 3.290 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](C2CCC2)C1 ZINC000417107912 566124981 /nfs/dbraw/zinc/12/49/81/566124981.db2.gz HWHSZIQQZWDCFY-AWEZNQCLSA-N 0 0 384.230 3.390 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@H]1c1ccco1 ZINC000366453789 566153247 /nfs/dbraw/zinc/15/32/47/566153247.db2.gz BRJWKNQPSVYBQK-ZDUSSCGKSA-N 0 0 381.182 3.164 10 5 GGBERN Cc1cn2c(n1)CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CC2 ZINC000366771501 566167904 /nfs/dbraw/zinc/16/79/04/566167904.db2.gz PFLWYCPQKIZZKY-UHFFFAOYSA-N 0 0 394.229 3.218 10 5 GGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000290531531 566177444 /nfs/dbraw/zinc/17/74/44/566177444.db2.gz UMBQNZAZUUKSQG-DOMZBBRYSA-N 0 0 382.251 3.410 10 5 GGBERN Cc1c(NC(=O)[C@@H]2CCCc3nn(C)cc32)cc(Br)cc1[N+](=O)[O-] ZINC000366999828 566180882 /nfs/dbraw/zinc/18/08/82/566180882.db2.gz YYKNDFFDFLNVRN-LLVKDONJSA-N 0 0 393.241 3.458 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCCC[C@H]2c2nccs2)cc1 ZINC000182225728 566190461 /nfs/dbraw/zinc/19/04/61/566190461.db2.gz JYCZZPLCDLZGPV-HNNXBMFYSA-N 0 0 381.479 3.052 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(OCC(C)C)CC2)c1 ZINC000182531970 566210434 /nfs/dbraw/zinc/21/04/34/566210434.db2.gz QLIGVYFZBGGQLN-UHFFFAOYSA-N 0 0 390.889 3.382 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000367831160 566218741 /nfs/dbraw/zinc/21/87/41/566218741.db2.gz JOHGURDOLVGYRJ-SWLSCSKDSA-N 0 0 382.463 3.250 10 5 GGBERN CCN(CC)C(=S)Sc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000264596721 566219240 /nfs/dbraw/zinc/21/92/40/566219240.db2.gz AJSOKQKGSARRKJ-UHFFFAOYSA-N 0 0 384.451 3.310 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2nccs2)C1 ZINC000182726257 566220727 /nfs/dbraw/zinc/22/07/27/566220727.db2.gz XXQUAMKOHBOPRQ-GFCCVEGCSA-N 0 0 399.881 3.397 10 5 GGBERN Cn1cc([C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000182741516 566221699 /nfs/dbraw/zinc/22/16/99/566221699.db2.gz STUICTZBIBTQNX-NSHDSACASA-N 0 0 380.857 3.090 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC[C@H](c3ccccc3)O2)s1 ZINC000367934434 566223700 /nfs/dbraw/zinc/22/37/00/566223700.db2.gz ILXHBUSDLZFJBB-TZMCWYRMSA-N 0 0 382.463 3.392 10 5 GGBERN C[C@@]12CCN(c3c(I)cncc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000418958145 566228340 /nfs/dbraw/zinc/22/83/40/566228340.db2.gz WTKJNFPNYOAZDL-GXSJLCMTSA-N 0 0 395.147 3.076 10 5 GGBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000291692659 566230829 /nfs/dbraw/zinc/23/08/29/566230829.db2.gz DQCRSJYYNFXJSG-GFCCVEGCSA-N 0 0 379.825 3.442 10 5 GGBERN Cc1c(NC(=O)N2CC[C@H](n3cccn3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000291786054 566234582 /nfs/dbraw/zinc/23/45/82/566234582.db2.gz PBVHUPSDIPAQOQ-LBPRGKRZSA-N 0 0 394.229 3.341 10 5 GGBERN C[C@@]12CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000291818175 566236240 /nfs/dbraw/zinc/23/62/40/566236240.db2.gz FRXKPVRFWXLHJV-WCQYABFASA-N 0 0 382.335 3.073 10 5 GGBERN Cc1ccn2c(c1)nnc2NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183079692 566237104 /nfs/dbraw/zinc/23/71/04/566237104.db2.gz XCPVNGLKOHIZSV-UHFFFAOYSA-N 0 0 377.813 3.330 10 5 GGBERN O=C(C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000183244876 566242175 /nfs/dbraw/zinc/24/21/75/566242175.db2.gz YEHUKCUJNGTZGM-SNVBAGLBSA-N 0 0 386.476 3.144 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183344010 566244642 /nfs/dbraw/zinc/24/46/42/566244642.db2.gz CSCXVXPPMSYKCH-SECBINFHSA-N 0 0 389.886 3.437 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183371303 566245409 /nfs/dbraw/zinc/24/54/09/566245409.db2.gz PBQLYBATUKGSBA-NSHDSACASA-N 0 0 395.217 3.235 10 5 GGBERN O=[N+]([O-])c1cc(F)c(CN[C@H](CO)c2cccc(Br)c2)c(F)c1 ZINC000508993068 566254466 /nfs/dbraw/zinc/25/44/66/566254466.db2.gz WSNOPQPGDJDEMP-OAHLLOKOSA-N 0 0 387.180 3.459 10 5 GGBERN COC(=O)c1ccc(Br)cc1COc1ncc(C)cc1[N+](=O)[O-] ZINC000509064396 566259377 /nfs/dbraw/zinc/25/93/77/566259377.db2.gz JDQWCVKEUMQNJH-UHFFFAOYSA-N 0 0 381.182 3.426 10 5 GGBERN COC(=O)c1cc(OCC(=O)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000481901882 566261010 /nfs/dbraw/zinc/26/10/10/566261010.db2.gz USHXULKUUDKKEZ-UHFFFAOYSA-N 0 0 394.177 3.406 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000599413390 566262450 /nfs/dbraw/zinc/26/24/50/566262450.db2.gz YITSLDUNDVCMSP-INIZCTEOSA-N 0 0 381.841 3.463 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1OC[C@H](O)COc1cccc(Br)c1 ZINC000556048625 566266995 /nfs/dbraw/zinc/26/69/95/566266995.db2.gz ZLBPSGODUZNALK-CYBMUJFWSA-N 0 0 382.210 3.484 10 5 GGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000599467075 566267681 /nfs/dbraw/zinc/26/76/81/566267681.db2.gz QYWDOMKRSGSHFT-IAOVAPTHSA-N 0 0 378.837 3.006 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000599468274 566267706 /nfs/dbraw/zinc/26/77/06/566267706.db2.gz LGIPDDDKKFODHG-HYVNUMGLSA-N 0 0 378.837 3.006 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cccc(C(F)(F)F)c3C2)s1 ZINC000599475262 566268145 /nfs/dbraw/zinc/26/81/45/566268145.db2.gz KJYBMEAOVIECTL-UHFFFAOYSA-N 0 0 392.380 3.422 10 5 GGBERN COc1ccc(S(=O)(=O)NCC2(C(F)(F)F)CCCC2)c([N+](=O)[O-])c1 ZINC000599502644 566270506 /nfs/dbraw/zinc/27/05/06/566270506.db2.gz CVVKIXUOHPYKIT-UHFFFAOYSA-N 0 0 382.360 3.004 10 5 GGBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599506707 566270533 /nfs/dbraw/zinc/27/05/33/566270533.db2.gz GDMITQIBHCEURZ-HZMBPMFUSA-N 0 0 389.271 3.311 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(C(F)(F)F)CCCC1 ZINC000599502855 566270698 /nfs/dbraw/zinc/27/06/98/566270698.db2.gz JLJYRADXPLWLJO-UHFFFAOYSA-N 0 0 382.360 3.004 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC1(C(F)(F)F)CCCC1 ZINC000599502638 566270767 /nfs/dbraw/zinc/27/07/67/566270767.db2.gz CIPVPNXBAJLWEL-UHFFFAOYSA-N 0 0 380.388 3.179 10 5 GGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000445159989 566271327 /nfs/dbraw/zinc/27/13/27/566271327.db2.gz OQXNFYADQRXJAU-VIFPVBQESA-N 0 0 398.238 3.497 10 5 GGBERN Cc1cc(Br)cc(C)c1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445188674 566271634 /nfs/dbraw/zinc/27/16/34/566271634.db2.gz OLTRCZPQNMUAFY-UHFFFAOYSA-N 0 0 380.198 3.005 10 5 GGBERN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cn1)Nc1cc(Cl)cc(Cl)c1 ZINC000575474644 566273894 /nfs/dbraw/zinc/27/38/94/566273894.db2.gz AQHNDYWKYBQSKB-UHFFFAOYSA-N 0 0 383.191 3.055 10 5 GGBERN COc1cc(Br)ccc1[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000599573094 566275435 /nfs/dbraw/zinc/27/54/35/566275435.db2.gz MDBJCOAZYOIXDR-CQSZACIVSA-N 0 0 395.257 3.400 10 5 GGBERN O=C1c2ccccc2C(=O)N1CCNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556287182 566281540 /nfs/dbraw/zinc/28/15/40/566281540.db2.gz JJWTWTDTVGAPAZ-UHFFFAOYSA-N 0 0 390.193 3.065 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(c2c[nH]cn2)CC1 ZINC000599654700 566284106 /nfs/dbraw/zinc/28/41/06/566284106.db2.gz SVPYZAKGHBPEOI-UHFFFAOYSA-N 0 0 379.214 3.100 10 5 GGBERN CCc1[nH]nc(-c2nc(Cc3cc(Br)cs3)no2)c1[N+](=O)[O-] ZINC000420505837 566286246 /nfs/dbraw/zinc/28/62/46/566286246.db2.gz QNSRKCQAASBZPI-UHFFFAOYSA-N 0 0 384.215 3.345 10 5 GGBERN CC(C)(c1noc(Cn2cc([N+](=O)[O-])cn2)n1)c1ccc(Br)cc1 ZINC000445395089 566287839 /nfs/dbraw/zinc/28/78/39/566287839.db2.gz SUOWURSDDJPPPS-UHFFFAOYSA-N 0 0 392.213 3.311 10 5 GGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599702811 566287922 /nfs/dbraw/zinc/28/79/22/566287922.db2.gz UAURNOYSVNVFAX-BXUZGUMPSA-N 0 0 385.258 3.418 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000556352622 566289267 /nfs/dbraw/zinc/28/92/67/566289267.db2.gz WPILPFPRDOZPTF-UHFFFAOYSA-N 0 0 375.175 3.297 10 5 GGBERN CC(C)(C)[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC000599745496 566291338 /nfs/dbraw/zinc/29/13/38/566291338.db2.gz CDZTYZHHDRNFCS-GXFFZTMASA-N 0 0 385.258 3.226 10 5 GGBERN CO[C@H](C)CN(C(C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462359254 566291357 /nfs/dbraw/zinc/29/13/57/566291357.db2.gz HZBDNWVBHORBIY-SECBINFHSA-N 0 0 385.269 3.336 10 5 GGBERN Cc1c(NC(=O)N2CCO[C@H](CCF)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599785522 566295396 /nfs/dbraw/zinc/29/53/96/566295396.db2.gz WELOJHHJKXZVJX-LLVKDONJSA-N 0 0 390.209 3.258 10 5 GGBERN CO[C@@H](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C(F)(F)F ZINC000599804443 566297791 /nfs/dbraw/zinc/29/77/91/566297791.db2.gz XPEDUPPRZDKVJK-VIFPVBQESA-N 0 0 385.136 3.055 10 5 GGBERN COc1cccc(F)c1[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000462407544 566298056 /nfs/dbraw/zinc/29/80/56/566298056.db2.gz KLEZVJONKMGFLJ-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN CO[C@H](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C(F)(F)F ZINC000599804441 566298152 /nfs/dbraw/zinc/29/81/52/566298152.db2.gz XPEDUPPRZDKVJK-SECBINFHSA-N 0 0 385.136 3.055 10 5 GGBERN Cc1nc([N+](=O)[O-])c(-c2noc(/C=C/c3ccc(Br)o3)n2)n1C ZINC000445599395 566299101 /nfs/dbraw/zinc/29/91/01/566299101.db2.gz DRGFVUZNCDYZTK-GQCTYLIASA-N 0 0 380.158 3.213 10 5 GGBERN Cc1c(Br)cc(-c2nc(-c3ccc(=O)n(C)c3)no2)cc1[N+](=O)[O-] ZINC000445606912 566300155 /nfs/dbraw/zinc/30/01/55/566300155.db2.gz CACWJNOGDBXRTK-UHFFFAOYSA-N 0 0 391.181 3.081 10 5 GGBERN COc1ccc(CCCNc2c(Br)cncc2[N+](=O)[O-])cc1OC ZINC000535429797 566305124 /nfs/dbraw/zinc/30/51/24/566305124.db2.gz VUQQMSIFIGOQTK-UHFFFAOYSA-N 0 0 396.241 3.236 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC23CCSCC3)c(Cl)c1 ZINC000420706458 566305171 /nfs/dbraw/zinc/30/51/71/566305171.db2.gz LKFAVWZIQFWWBJ-SNVBAGLBSA-N 0 0 376.887 3.060 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC23CCSCC3)c(Cl)c1 ZINC000420706457 566305762 /nfs/dbraw/zinc/30/57/62/566305762.db2.gz LKFAVWZIQFWWBJ-JTQLQIEISA-N 0 0 376.887 3.060 10 5 GGBERN COc1cc2c(cc1F)CC[C@H]2Nc1c(Br)cncc1[N+](=O)[O-] ZINC000509479943 566309654 /nfs/dbraw/zinc/30/96/54/566309654.db2.gz OMVDCMYKRXXPIQ-GFCCVEGCSA-N 0 0 382.189 3.421 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000462488390 566311048 /nfs/dbraw/zinc/31/10/48/566311048.db2.gz HVEUTSGFEYJFRU-DFBGVHRSSA-N 0 0 388.873 3.039 10 5 GGBERN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCCC2 ZINC000462504921 566313786 /nfs/dbraw/zinc/31/37/86/566313786.db2.gz SYUMNHDKKUSZDR-QWHCGFSZSA-N 0 0 388.511 3.405 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(c2ccon2)CC1 ZINC000600108335 566315587 /nfs/dbraw/zinc/31/55/87/566315587.db2.gz VXPVPNCESHKHPB-UHFFFAOYSA-N 0 0 380.198 3.365 10 5 GGBERN C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000600119630 566317293 /nfs/dbraw/zinc/31/72/93/566317293.db2.gz QXYWAJKPBOEWJO-RTHLEPHNSA-N 0 0 393.184 3.242 10 5 GGBERN C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000600119628 566318253 /nfs/dbraw/zinc/31/82/53/566318253.db2.gz QXYWAJKPBOEWJO-CLAHSXSESA-N 0 0 393.184 3.242 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000600178914 566321080 /nfs/dbraw/zinc/32/10/80/566321080.db2.gz RVNWIVYBOWPQKC-NSHDSACASA-N 0 0 376.722 3.287 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC/C=C/c1ccc(Br)cc1 ZINC000600176225 566321613 /nfs/dbraw/zinc/32/16/13/566321613.db2.gz DNKZFXMXIHZFEQ-DUXPYHPUSA-N 0 0 393.241 3.082 10 5 GGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cs2)c1 ZINC000600209765 566324454 /nfs/dbraw/zinc/32/44/54/566324454.db2.gz VXTKCCJIVJUSGE-ITNZAGEZSA-N 0 0 377.491 3.204 10 5 GGBERN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600304688 566330980 /nfs/dbraw/zinc/33/09/80/566330980.db2.gz NMOIPSSIDPWXIJ-GFCCVEGCSA-N 0 0 395.213 3.066 10 5 GGBERN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000600303262 566330986 /nfs/dbraw/zinc/33/09/86/566330986.db2.gz CZQADZLWRDQNMX-GFCCVEGCSA-N 0 0 395.213 3.066 10 5 GGBERN Cn1c(C(=O)N2CC3(CC3)c3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC000600283090 566331292 /nfs/dbraw/zinc/33/12/92/566331292.db2.gz XPLDYRCOOIEUPC-UHFFFAOYSA-N 0 0 376.210 3.388 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000600282539 566331506 /nfs/dbraw/zinc/33/15/06/566331506.db2.gz PFVHHFPSVMRRIA-UHFFFAOYSA-N 0 0 391.225 3.022 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000482772915 566332158 /nfs/dbraw/zinc/33/21/58/566332158.db2.gz BCYSQEACHGJYIK-STQMWFEESA-N 0 0 382.507 3.443 10 5 GGBERN CC1(C)CCC[C@](CO)(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600367770 566336001 /nfs/dbraw/zinc/33/60/01/566336001.db2.gz WRFYIPTXFVYIDE-KRWDZBQOSA-N 0 0 399.285 3.347 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000462656404 566336796 /nfs/dbraw/zinc/33/67/96/566336796.db2.gz BRWCTXGXUSOELP-CQSZACIVSA-N 0 0 378.903 3.319 10 5 GGBERN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600507360 566341540 /nfs/dbraw/zinc/34/15/40/566341540.db2.gz CZNHZPBMLOLQRK-GFCCVEGCSA-N 0 0 379.214 3.366 10 5 GGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600483506 566341895 /nfs/dbraw/zinc/34/18/95/566341895.db2.gz FWCZDTMKNUDKNX-PJGQNWHFSA-N 0 0 382.507 3.221 10 5 GGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600483507 566342159 /nfs/dbraw/zinc/34/21/59/566342159.db2.gz FWCZDTMKNUDKNX-JXQWACKNSA-N 0 0 382.507 3.221 10 5 GGBERN Cc1c(NC(=O)N2C[C@H](C)C[C@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000421115502 566346829 /nfs/dbraw/zinc/34/68/29/566346829.db2.gz HOOZUKPXFARKFQ-KOLCDFICSA-N 0 0 386.246 3.148 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2c[nH]c3ccc(F)cc23)s1 ZINC000556944641 566348256 /nfs/dbraw/zinc/34/82/56/566348256.db2.gz CFGHNXKUGMVWCY-UHFFFAOYSA-N 0 0 383.426 3.335 10 5 GGBERN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600590347 566349400 /nfs/dbraw/zinc/34/94/00/566349400.db2.gz JXYGEMIJBCTMKG-PWSUYJOCSA-N 0 0 393.241 3.109 10 5 GGBERN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000600590290 566349479 /nfs/dbraw/zinc/34/94/79/566349479.db2.gz ICMMLXNCNGZQAV-KOLCDFICSA-N 0 0 379.214 3.099 10 5 GGBERN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600589092 566349722 /nfs/dbraw/zinc/34/97/22/566349722.db2.gz FNZZXOZRFOKWLE-KOLCDFICSA-N 0 0 379.214 3.099 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1ccsc1 ZINC000556991751 566352307 /nfs/dbraw/zinc/35/23/07/566352307.db2.gz TVEWDQXJMXHEPD-ZDUSSCGKSA-N 0 0 385.239 3.191 10 5 GGBERN CSCCCN(c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000600667857 566357521 /nfs/dbraw/zinc/35/75/21/566357521.db2.gz PAWXGFJBPKESKG-UHFFFAOYSA-N 0 0 381.479 3.247 10 5 GGBERN CC(C)N(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600666706 566357553 /nfs/dbraw/zinc/35/75/53/566357553.db2.gz CCAUTTQJLOCCSX-UHFFFAOYSA-N 0 0 393.252 3.239 10 5 GGBERN C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)c1ccnn1C ZINC000421248040 566358860 /nfs/dbraw/zinc/35/88/60/566358860.db2.gz HFJMDTYYKHCTGD-SECBINFHSA-N 0 0 392.213 3.216 10 5 GGBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCc2ccc(Cl)s2)C1=O ZINC000600686914 566359646 /nfs/dbraw/zinc/35/96/46/566359646.db2.gz JGXGSPGDCWVALI-INIZCTEOSA-N 0 0 379.825 3.319 10 5 GGBERN O=C(Cc1ccc(Br)s1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000510054080 566360814 /nfs/dbraw/zinc/36/08/14/566360814.db2.gz KCRDZVDRTIXCGN-UHFFFAOYSA-N 0 0 384.255 3.190 10 5 GGBERN Cn1cc(NCc2cc(I)cc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000462872347 566362630 /nfs/dbraw/zinc/36/26/30/566362630.db2.gz DLZXBSKEQYUMRE-UHFFFAOYSA-N 0 0 398.204 3.422 10 5 GGBERN Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1S(C)(=O)=O ZINC000536269277 566363409 /nfs/dbraw/zinc/36/34/09/566363409.db2.gz QKTTXVOBZMLIPD-UHFFFAOYSA-N 0 0 380.447 3.038 10 5 GGBERN O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000483202083 566363696 /nfs/dbraw/zinc/36/36/96/566363696.db2.gz UZOMMMOYRDDMJS-AWEZNQCLSA-N 0 0 399.628 3.474 10 5 GGBERN COc1ccc(CS(=O)(=O)Cc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000446713078 566364072 /nfs/dbraw/zinc/36/40/72/566364072.db2.gz WOZXEMCMVYHRRZ-UHFFFAOYSA-N 0 0 384.479 3.472 10 5 GGBERN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000557157072 566368918 /nfs/dbraw/zinc/36/89/18/566368918.db2.gz KNWVMQBTPBXIOA-VHSXEESVSA-N 0 0 385.214 3.275 10 5 GGBERN CC(=O)Nc1ccc(O)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000557158557 566369176 /nfs/dbraw/zinc/36/91/76/566369176.db2.gz BMEAXCLQOFVBSX-UHFFFAOYSA-N 0 0 394.181 3.274 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2ccon2)no1 ZINC000576712108 566370492 /nfs/dbraw/zinc/37/04/92/566370492.db2.gz DAMCJOXWROKFAG-UHFFFAOYSA-N 0 0 398.116 3.213 10 5 GGBERN Cc1c(NC(=O)NC[C@H]2CCOC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000483332250 566373409 /nfs/dbraw/zinc/37/34/09/566373409.db2.gz IZRSVQVJGNAKII-MWLCHTKSSA-N 0 0 386.246 3.460 10 5 GGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)Cc1ccccc1 ZINC000536455145 566373971 /nfs/dbraw/zinc/37/39/71/566373971.db2.gz OOXQIQWNDJXSHK-NSHDSACASA-N 0 0 391.221 3.287 10 5 GGBERN Cc1sc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000536487390 566377820 /nfs/dbraw/zinc/37/78/20/566377820.db2.gz ASUWKMJCPMAALU-NSHDSACASA-N 0 0 385.239 3.191 10 5 GGBERN Cc1sc(C(=O)N[C@H](CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000536487388 566378192 /nfs/dbraw/zinc/37/81/92/566378192.db2.gz ASUWKMJCPMAALU-LLVKDONJSA-N 0 0 385.239 3.191 10 5 GGBERN Cc1ccsc1[C@H](CO)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000536516621 566378924 /nfs/dbraw/zinc/37/89/24/566378924.db2.gz ILLQXYXKWWJGEQ-NSHDSACASA-N 0 0 385.239 3.191 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000510441338 566382913 /nfs/dbraw/zinc/38/29/13/566382913.db2.gz GIROICQDQHRLRP-BXUZGUMPSA-N 0 0 383.242 3.307 10 5 GGBERN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000601075975 566389219 /nfs/dbraw/zinc/38/92/19/566389219.db2.gz IZIDKMFOLIFGDD-OCAPTIKFSA-N 0 0 384.152 3.492 10 5 GGBERN COC(=O)c1cc(C)nc(N(C)Cc2ccc(Br)o2)c1[N+](=O)[O-] ZINC000557494808 566391495 /nfs/dbraw/zinc/39/14/95/566391495.db2.gz MDHMRZROVIRMHL-UHFFFAOYSA-N 0 0 384.186 3.077 10 5 GGBERN C[C@](CO)(NCc1cccc(O)c1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148853 566393704 /nfs/dbraw/zinc/39/37/04/566393704.db2.gz GWPMUQYTQSPWCJ-MRXNPFEDSA-N 0 0 381.226 3.060 10 5 GGBERN C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ncc(Br)cn1 ZINC000601167727 566393813 /nfs/dbraw/zinc/39/38/13/566393813.db2.gz CGBGJIQEMUJUPH-RXMQYKEDSA-N 0 0 395.139 3.073 10 5 GGBERN Cc1nn(CCC(=O)N2CCc3c2cccc3Br)c(C)c1[N+](=O)[O-] ZINC000421658085 566395868 /nfs/dbraw/zinc/39/58/68/566395868.db2.gz RCYDQESOCCQZAC-UHFFFAOYSA-N 0 0 393.241 3.150 10 5 GGBERN CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000510596775 566397508 /nfs/dbraw/zinc/39/75/08/566397508.db2.gz AERFFJJAWFWVCX-UHFFFAOYSA-N 0 0 377.447 3.068 10 5 GGBERN Cc1cc(S(=O)(=O)N2C[C@@H]3CCCN3c3ccccc32)c([N+](=O)[O-])s1 ZINC000601303853 566400052 /nfs/dbraw/zinc/40/00/52/566400052.db2.gz IOHCFMGYHUPEDR-LBPRGKRZSA-N 0 0 379.463 3.142 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000557596905 566400694 /nfs/dbraw/zinc/40/06/94/566400694.db2.gz XLDDSEBNPOHYRN-OAHLLOKOSA-N 0 0 384.219 3.459 10 5 GGBERN COc1ccccc1[C@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601352865 566401599 /nfs/dbraw/zinc/40/15/99/566401599.db2.gz ZRYCHJUDJRDMRY-LBPRGKRZSA-N 0 0 382.463 3.152 10 5 GGBERN NS(=O)(=O)c1ccc(OCCc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 ZINC000447297090 566402092 /nfs/dbraw/zinc/40/20/92/566402092.db2.gz TZOKTCARVJQGAK-UHFFFAOYSA-N 0 0 391.232 3.171 10 5 GGBERN CC(C)CN(Cc1ccccc1Br)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000536823357 566402652 /nfs/dbraw/zinc/40/26/52/566402652.db2.gz YXJPFZMBJQLBIO-UHFFFAOYSA-N 0 0 395.257 3.389 10 5 GGBERN Cc1cc(S(=O)(=O)N2CC(c3nc4ccccc4s3)C2)c([N+](=O)[O-])s1 ZINC000601371861 566403604 /nfs/dbraw/zinc/40/36/04/566403604.db2.gz RSJZAVCXCPWUGH-UHFFFAOYSA-N 0 0 395.487 3.363 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCC(=O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000601418698 566404150 /nfs/dbraw/zinc/40/41/50/566404150.db2.gz ZIVHAXUUDJFOEC-OAHLLOKOSA-N 0 0 380.447 3.060 10 5 GGBERN Cc1c(Br)csc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000601411033 566404242 /nfs/dbraw/zinc/40/42/42/566404242.db2.gz MGHANDUQIWNKTA-UHFFFAOYSA-N 0 0 382.239 3.321 10 5 GGBERN CCn1ccnc1[C@@H]1CCCCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601410205 566405206 /nfs/dbraw/zinc/40/52/06/566405206.db2.gz BLAHSJBNAWFTEK-LBPRGKRZSA-N 0 0 384.483 3.097 10 5 GGBERN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000557659846 566405520 /nfs/dbraw/zinc/40/55/20/566405520.db2.gz OUYJULCWZPHRIR-CABCVRRESA-N 0 0 397.250 3.192 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ccc(Br)s3)no2)n1 ZINC000577244925 566417905 /nfs/dbraw/zinc/41/79/05/566417905.db2.gz DSLROHGMOVZNPB-UHFFFAOYSA-N 0 0 384.215 3.276 10 5 GGBERN CCn1nc(C)c(CN(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])c1C ZINC000601701268 566418514 /nfs/dbraw/zinc/41/85/14/566418514.db2.gz HPBXLJHWKHGPEL-UHFFFAOYSA-N 0 0 395.257 3.463 10 5 GGBERN C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccccc1[N+](=O)[O-] ZINC000537036483 566419180 /nfs/dbraw/zinc/41/91/80/566419180.db2.gz FFISRUNYQPWFET-BJOHPYRUSA-N 0 0 396.216 3.374 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000601704395 566420418 /nfs/dbraw/zinc/42/04/18/566420418.db2.gz OOCWHTUUWREZIM-NUEKZKHPSA-N 0 0 388.221 3.129 10 5 GGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N=c1ccn(C2CCSCC2)[nH]1 ZINC000601715637 566420554 /nfs/dbraw/zinc/42/05/54/566420554.db2.gz PKTJEOSLNRXZGW-UHFFFAOYSA-N 0 0 378.479 3.012 10 5 GGBERN COCC1(C2CC2)CN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000601768551 566423770 /nfs/dbraw/zinc/42/37/70/566423770.db2.gz PWLNQOGUQWCQQA-UHFFFAOYSA-N 0 0 383.242 3.164 10 5 GGBERN Cc1cc(Br)cc2c1CN(C(=O)c1ccc([N+](=O)[O-])cn1)CC2 ZINC000537138641 566424378 /nfs/dbraw/zinc/42/43/78/566424378.db2.gz ASXVFABFJVYLOT-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cnn2c1CCCC2 ZINC000601825520 566426407 /nfs/dbraw/zinc/42/64/07/566426407.db2.gz OUPOCKNIRNFCQY-UHFFFAOYSA-N 0 0 379.214 3.071 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000511024581 566429548 /nfs/dbraw/zinc/42/95/48/566429548.db2.gz BWBUQMZQJYMPSU-MRVPVSSYSA-N 0 0 391.783 3.269 10 5 GGBERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1c(Br)cccc1[N+](=O)[O-] ZINC000601878045 566429586 /nfs/dbraw/zinc/42/95/86/566429586.db2.gz TXDFZDZWAVQWOT-HIFRSBDPSA-N 0 0 383.242 3.435 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000537395458 566443310 /nfs/dbraw/zinc/44/33/10/566443310.db2.gz VNIQMGCZNYKCSA-UHFFFAOYSA-N 0 0 376.221 3.281 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CSCCC2(O)CC2)c1 ZINC000577568346 566445264 /nfs/dbraw/zinc/44/52/64/566445264.db2.gz PRGFDBQMKQQZOD-UHFFFAOYSA-N 0 0 379.219 3.348 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCc1cccc(Cl)c1 ZINC000558116044 566450056 /nfs/dbraw/zinc/45/00/56/566450056.db2.gz GKAJFYZSKWBLMU-UHFFFAOYSA-N 0 0 384.841 3.168 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000537543124 566450442 /nfs/dbraw/zinc/45/04/42/566450442.db2.gz KQCDSXSTYQVMKQ-UHFFFAOYSA-N 0 0 380.198 3.100 10 5 GGBERN O=C(c1cc(Br)ccc1F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000537577428 566453740 /nfs/dbraw/zinc/45/37/40/566453740.db2.gz WIOIVKKTPGTFHX-UHFFFAOYSA-N 0 0 380.173 3.090 10 5 GGBERN CCCc1n[nH]c(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c1[N+](=O)[O-] ZINC000464300306 566463000 /nfs/dbraw/zinc/46/30/00/566463000.db2.gz ZEASIJBQKWWYBG-SNVBAGLBSA-N 0 0 385.207 3.441 10 5 GGBERN COc1ncccc1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000484911647 566463442 /nfs/dbraw/zinc/46/34/42/566463442.db2.gz QIFOESHCYMNKGI-UHFFFAOYSA-N 0 0 381.841 3.103 10 5 GGBERN COC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000537701002 566464227 /nfs/dbraw/zinc/46/42/27/566464227.db2.gz JCWQQODFJKVUND-AWEZNQCLSA-N 0 0 379.210 3.475 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2cc(Cl)cc(Br)c21 ZINC000577838937 566468699 /nfs/dbraw/zinc/46/86/99/566468699.db2.gz AWNVHKHWMNQNNM-UHFFFAOYSA-N 0 0 399.632 3.187 10 5 GGBERN C[C@@](CO)(NCc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000511588079 566473821 /nfs/dbraw/zinc/47/38/21/566473821.db2.gz YIZDVSNWBMKEFI-INIZCTEOSA-N 0 0 383.217 3.494 10 5 GGBERN C[C@](CO)(NCc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000511588080 566473966 /nfs/dbraw/zinc/47/39/66/566473966.db2.gz YIZDVSNWBMKEFI-MRXNPFEDSA-N 0 0 383.217 3.494 10 5 GGBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1c(F)cccc1Br ZINC000537849813 566475834 /nfs/dbraw/zinc/47/58/34/566475834.db2.gz SXQJSWAAZRYKRE-UHFFFAOYSA-N 0 0 379.141 3.293 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000538016846 566487465 /nfs/dbraw/zinc/48/74/65/566487465.db2.gz VJMCDRUFUDACRT-SKDRFNHKSA-N 0 0 395.264 3.091 10 5 GGBERN COC(=O)CC1(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCCC1 ZINC000511783072 566487825 /nfs/dbraw/zinc/48/78/25/566487825.db2.gz FMRNVPRUXMDXHP-UHFFFAOYSA-N 0 0 399.241 3.271 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCN1CC(F)(F)F ZINC000464619003 566492225 /nfs/dbraw/zinc/49/22/25/566492225.db2.gz NFEHJBMFAUUBRM-LLVKDONJSA-N 0 0 396.163 3.323 10 5 GGBERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000511876817 566494466 /nfs/dbraw/zinc/49/44/66/566494466.db2.gz ZTRBXHSWWUJARF-UHFFFAOYSA-N 0 0 380.447 3.038 10 5 GGBERN CC(C)[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1nncn1C ZINC000485426916 566497551 /nfs/dbraw/zinc/49/75/51/566497551.db2.gz AJUQXFGCTQMUQN-LBPRGKRZSA-N 0 0 397.233 3.005 10 5 GGBERN O=C(NC[C@H](O)Cc1ccccc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485453667 566498396 /nfs/dbraw/zinc/49/83/96/566498396.db2.gz TVYBACLHJNBWBN-OAHLLOKOSA-N 0 0 394.225 3.082 10 5 GGBERN COCc1csc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000485495625 566505449 /nfs/dbraw/zinc/50/54/49/566505449.db2.gz WEJGDVXODRSJOM-UHFFFAOYSA-N 0 0 378.229 3.274 10 5 GGBERN CC(C)[C@@]1(C2CC2)NC(=O)N(Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000424099137 566511345 /nfs/dbraw/zinc/51/13/45/566511345.db2.gz IGMHZYCJWKGHAZ-INIZCTEOSA-N 0 0 396.241 3.214 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCOCc1ccc(Cl)cc1Cl ZINC000538447363 566513396 /nfs/dbraw/zinc/51/33/96/566513396.db2.gz PKFQRVLKYZGJNO-UHFFFAOYSA-N 0 0 385.207 3.024 10 5 GGBERN CN(C)S(=O)(=O)c1ccc(CSCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000424146433 566516391 /nfs/dbraw/zinc/51/63/91/566516391.db2.gz BFCWKKZGIQLOAR-UHFFFAOYSA-N 0 0 386.520 3.383 10 5 GGBERN C[C@H]1CCCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000512155889 566517078 /nfs/dbraw/zinc/51/70/78/566517078.db2.gz WPAXECUZXBELRE-JTQLQIEISA-N 0 0 377.260 3.311 10 5 GGBERN COc1cc2c(cc1F)CN(c1c(Br)cncc1[N+](=O)[O-])CC2 ZINC000538510764 566517703 /nfs/dbraw/zinc/51/77/03/566517703.db2.gz IXZMQRSJCJEWTJ-UHFFFAOYSA-N 0 0 382.189 3.463 10 5 GGBERN Cc1cc(C)c(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000559142004 566528374 /nfs/dbraw/zinc/52/83/74/566528374.db2.gz XDDMZPCDOGWVMM-LLVKDONJSA-N 0 0 395.384 3.250 10 5 GGBERN Cc1ccsc1[C@H](CO)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000538702356 566529904 /nfs/dbraw/zinc/52/99/04/566529904.db2.gz QRWGHEADSFTNFU-LBPRGKRZSA-N 0 0 399.266 3.499 10 5 GGBERN CC(C)(C)CC(=O)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000603552428 566533901 /nfs/dbraw/zinc/53/39/01/566533901.db2.gz QIAQREIDNNPDQX-UHFFFAOYSA-N 0 0 384.274 3.442 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)s1 ZINC000485881167 566535942 /nfs/dbraw/zinc/53/59/42/566535942.db2.gz HAXHBYRIBKEDII-UHFFFAOYSA-N 0 0 385.854 3.312 10 5 GGBERN CCc1cnc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])s1 ZINC000485907226 566538450 /nfs/dbraw/zinc/53/84/50/566538450.db2.gz OEILLJDLNYFDDT-UHFFFAOYSA-N 0 0 390.284 3.410 10 5 GGBERN O=C(NCCc1ccccc1Br)NCCc1ccccc1[N+](=O)[O-] ZINC000465821089 566548917 /nfs/dbraw/zinc/54/89/17/566548917.db2.gz XEKZYYKHSJYKQH-UHFFFAOYSA-N 0 0 392.253 3.442 10 5 GGBERN CC(C)(C)C(=O)NCCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000578775323 566553911 /nfs/dbraw/zinc/55/39/11/566553911.db2.gz QUYKJCKILABVCE-UHFFFAOYSA-N 0 0 386.246 3.238 10 5 GGBERN CN(CCOc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512778529 566555255 /nfs/dbraw/zinc/55/52/55/566555255.db2.gz HFGOASJJVDPGAR-UHFFFAOYSA-N 0 0 376.843 3.009 10 5 GGBERN COc1ncc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1Br ZINC000424675256 566555245 /nfs/dbraw/zinc/55/52/45/566555245.db2.gz FUUJQQOQACRJMB-UHFFFAOYSA-N 0 0 392.209 3.354 10 5 GGBERN CN(Cc1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512766862 566555604 /nfs/dbraw/zinc/55/56/04/566555604.db2.gz KZBUASGKAMYYSR-UHFFFAOYSA-N 0 0 391.268 3.240 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559621384 566561677 /nfs/dbraw/zinc/56/16/77/566561677.db2.gz YGQBVDIHOJWMQF-UHFFFAOYSA-N 0 0 392.209 3.408 10 5 GGBERN COc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl ZINC000466274056 566561978 /nfs/dbraw/zinc/56/19/78/566561978.db2.gz PDWIYQWZGZFFMR-UHFFFAOYSA-N 0 0 386.813 3.091 10 5 GGBERN CCOC(=O)CN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000466298452 566565005 /nfs/dbraw/zinc/56/50/05/566565005.db2.gz MYHONYCTRLZIRI-UHFFFAOYSA-N 0 0 399.241 3.224 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN(C2CC2)CC1 ZINC000604472663 566566666 /nfs/dbraw/zinc/56/66/66/566566666.db2.gz CVDOWANBYGBSDU-UHFFFAOYSA-N 0 0 377.242 3.190 10 5 GGBERN O=[N+]([O-])c1ccc2[nH]c(CNc3ncnc4ccc(Br)cc43)nc2c1 ZINC000559816008 566570347 /nfs/dbraw/zinc/57/03/47/566570347.db2.gz JSUIQOVOWGPQOJ-UHFFFAOYSA-N 0 0 399.208 3.211 10 5 GGBERN Cc1cc(Br)ccc1NC(=O)CN(C)c1ccncc1[N+](=O)[O-] ZINC000604560318 566571079 /nfs/dbraw/zinc/57/10/79/566571079.db2.gz NDXQCWAIFYDHAG-UHFFFAOYSA-N 0 0 379.214 3.136 10 5 GGBERN Cn1ncc(Br)c1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506301 566571668 /nfs/dbraw/zinc/57/16/68/566571668.db2.gz ZAHYDCPGAIXOHR-ZDUSSCGKSA-N 0 0 379.258 3.470 10 5 GGBERN C[C@@H](NCC(=O)Nc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000539382222 566576908 /nfs/dbraw/zinc/57/69/08/566576908.db2.gz JOODKHRHCBFDEE-SNVBAGLBSA-N 0 0 379.214 3.042 10 5 GGBERN Cc1nn(C)c(C)c1CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000539374653 566577786 /nfs/dbraw/zinc/57/77/86/566577786.db2.gz FUPMCNBEYMQRES-UHFFFAOYSA-N 0 0 395.257 3.070 10 5 GGBERN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)NCc1ccc(F)cc1 ZINC000559944505 566577779 /nfs/dbraw/zinc/57/77/79/566577779.db2.gz MKXIKILCSOGBHZ-UHFFFAOYSA-N 0 0 382.189 3.225 10 5 GGBERN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)Nc1ccc(Cl)cn1 ZINC000559945484 566577888 /nfs/dbraw/zinc/57/78/88/566577888.db2.gz ZNQQHCHQPDYULQ-UHFFFAOYSA-N 0 0 385.605 3.456 10 5 GGBERN CSc1cccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)c1[N+](=O)[O-] ZINC000486397383 566584588 /nfs/dbraw/zinc/58/45/88/566584588.db2.gz BTNBWTBZLFQPLP-QMMMGPOBSA-N 0 0 397.254 3.360 10 5 GGBERN CSc1cccc(C(=O)N[C@H](C)c2ncc(Br)cn2)c1[N+](=O)[O-] ZINC000486397382 566584868 /nfs/dbraw/zinc/58/48/68/566584868.db2.gz BTNBWTBZLFQPLP-MRVPVSSYSA-N 0 0 397.254 3.360 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000466566234 566585867 /nfs/dbraw/zinc/58/58/67/566585867.db2.gz KCBIBFHGQFAHIT-HOTGVXAUSA-N 0 0 388.873 3.040 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000466566233 566586274 /nfs/dbraw/zinc/58/62/74/566586274.db2.gz KCBIBFHGQFAHIT-CVEARBPZSA-N 0 0 388.873 3.040 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(CCC(F)(F)F)CC(F)(F)F)s1 ZINC000560025212 566586779 /nfs/dbraw/zinc/58/67/79/566586779.db2.gz NOKLYEJFSWOXDY-UHFFFAOYSA-N 0 0 386.295 3.162 10 5 GGBERN C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000486436048 566588928 /nfs/dbraw/zinc/58/89/28/566588928.db2.gz PXHRWILCYRJNGV-JTQLQIEISA-N 0 0 393.241 3.302 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CSc2ccc(Br)cc21 ZINC000486479185 566591648 /nfs/dbraw/zinc/59/16/48/566591648.db2.gz NSAUJEILBCAAHT-NSHDSACASA-N 0 0 395.238 3.110 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CSc2ccc(Br)cc21 ZINC000486479183 566592372 /nfs/dbraw/zinc/59/23/72/566592372.db2.gz NSAUJEILBCAAHT-LLVKDONJSA-N 0 0 395.238 3.110 10 5 GGBERN O=C(CSCc1ccc(Cl)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000539782476 566601748 /nfs/dbraw/zinc/60/17/48/566601748.db2.gz GJJCBUSJPSDZAM-UHFFFAOYSA-N 0 0 377.853 3.461 10 5 GGBERN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000539840605 566606320 /nfs/dbraw/zinc/60/63/20/566606320.db2.gz HECMICIXWNKKPP-AMJWSMQMSA-N 0 0 382.463 3.425 10 5 GGBERN C[C@](CO)(NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000513521358 566606607 /nfs/dbraw/zinc/60/66/07/566606607.db2.gz RPRMJMLYALVHEJ-MRXNPFEDSA-N 0 0 394.225 3.387 10 5 GGBERN Cc1ccc(-c2nc(CNS(=O)(=O)c3ccc([N+](=O)[O-])s3)co2)cc1 ZINC000466911055 566607785 /nfs/dbraw/zinc/60/77/85/566607785.db2.gz MGEDRDFTXCHADR-UHFFFAOYSA-N 0 0 379.419 3.098 10 5 GGBERN C[C@](CO)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000513543082 566607891 /nfs/dbraw/zinc/60/78/91/566607891.db2.gz OIPMHQPJCVXEPI-MRXNPFEDSA-N 0 0 394.225 3.387 10 5 GGBERN Cc1cscc1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560200257 566608586 /nfs/dbraw/zinc/60/85/86/566608586.db2.gz XZOKPTUETUTHLO-UHFFFAOYSA-N 0 0 384.211 3.304 10 5 GGBERN COc1ccc(S(=O)(=O)N2CCc3sc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC000579467473 566611429 /nfs/dbraw/zinc/61/14/29/566611429.db2.gz GXAOLCJVWZUWAS-UHFFFAOYSA-N 0 0 388.854 3.065 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000486682816 566612083 /nfs/dbraw/zinc/61/20/83/566612083.db2.gz SFVRLGXXUISZDB-UHFFFAOYSA-N 0 0 388.779 3.273 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(CCO)C1CCSCC1 ZINC000539923706 566613854 /nfs/dbraw/zinc/61/38/54/566613854.db2.gz GHJXCUVCBAOHHM-UHFFFAOYSA-N 0 0 390.914 3.057 10 5 GGBERN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1Br ZINC000467033033 566618567 /nfs/dbraw/zinc/61/85/67/566618567.db2.gz JUKPLZXMLNMHEX-UHFFFAOYSA-N 0 0 381.230 3.010 10 5 GGBERN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ncc(Br)cn1 ZINC000486751306 566619061 /nfs/dbraw/zinc/61/90/61/566619061.db2.gz XMUZTRGFBZNEAP-MRVPVSSYSA-N 0 0 390.197 3.120 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000467042381 566619908 /nfs/dbraw/zinc/61/99/08/566619908.db2.gz CFACTQWYNFLWHR-BBRMVZONSA-N 0 0 382.463 3.021 10 5 GGBERN Cc1sc(S(=O)(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000467077316 566623646 /nfs/dbraw/zinc/62/36/46/566623646.db2.gz BCGLUZLZQJHITN-XIZWVBILSA-N 0 0 382.463 3.196 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000513793725 566624641 /nfs/dbraw/zinc/62/46/41/566624641.db2.gz DFXPWNSROADSMI-DDFAGTSDSA-N 0 0 386.189 3.036 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000513793726 566624873 /nfs/dbraw/zinc/62/48/73/566624873.db2.gz DFXPWNSROADSMI-IWIIMEHWSA-N 0 0 386.189 3.036 10 5 GGBERN C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000486816554 566625368 /nfs/dbraw/zinc/62/53/68/566625368.db2.gz COTYVSHPDDPBCL-MRVPVSSYSA-N 0 0 395.384 3.251 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H](c2nnc[nH]2)C1 ZINC000425289396 566627856 /nfs/dbraw/zinc/62/78/56/566627856.db2.gz VEGAAEYRDPBLFH-VIFPVBQESA-N 0 0 389.213 3.018 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425289395 566628019 /nfs/dbraw/zinc/62/80/19/566628019.db2.gz VEGAAEYRDPBLFH-SECBINFHSA-N 0 0 389.213 3.018 10 5 GGBERN COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000486853716 566630173 /nfs/dbraw/zinc/63/01/73/566630173.db2.gz ISGGOHQVQLWMDN-GFCCVEGCSA-N 0 0 390.870 3.318 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1nc2cc(Br)ccc2o1 ZINC000560568337 566639241 /nfs/dbraw/zinc/63/92/41/566639241.db2.gz XOLLIOFGZIPIAZ-UHFFFAOYSA-N 0 0 391.181 3.132 10 5 GGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000425414362 566641221 /nfs/dbraw/zinc/64/12/21/566641221.db2.gz CRYOVGBGKFDKOG-VNQPRFMTSA-N 0 0 385.258 3.126 10 5 GGBERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425414353 566641913 /nfs/dbraw/zinc/64/19/13/566641913.db2.gz CRYOVGBGKFDKOG-BMFZPTHFSA-N 0 0 385.258 3.126 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000467392972 566643555 /nfs/dbraw/zinc/64/35/55/566643555.db2.gz JWFINVCJUQHGJQ-CQSZACIVSA-N 0 0 384.454 3.500 10 5 GGBERN Cc1sc(S(=O)(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000467412085 566645415 /nfs/dbraw/zinc/64/54/15/566645415.db2.gz GRJOUTRXBNGUTN-XHDPSFHLSA-N 0 0 382.463 3.115 10 5 GGBERN C/C=C\C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)OCC ZINC000560629095 566645779 /nfs/dbraw/zinc/64/57/79/566645779.db2.gz JLYKOZNHBWRGBY-KXQLTZBTSA-N 0 0 399.241 3.293 10 5 GGBERN C/C=C\C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)OCC ZINC000560629122 566645980 /nfs/dbraw/zinc/64/59/80/566645980.db2.gz JLYKOZNHBWRGBY-SDQPKGBYSA-N 0 0 399.241 3.293 10 5 GGBERN C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000540337624 566646866 /nfs/dbraw/zinc/64/68/66/566646866.db2.gz JQBUTSXISILDTM-MEBBXXQBSA-N 0 0 378.226 3.235 10 5 GGBERN CC[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000425467435 566647149 /nfs/dbraw/zinc/64/71/49/566647149.db2.gz BQFQLJMXLDYULE-HOCLYGCPSA-N 0 0 385.258 3.127 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000425490428 566648458 /nfs/dbraw/zinc/64/84/58/566648458.db2.gz KYGFXWZFWSRIEL-SKDRFNHKSA-N 0 0 383.164 3.102 10 5 GGBERN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000560788207 566658045 /nfs/dbraw/zinc/65/80/45/566658045.db2.gz BGTZCZKEQZQCHB-SSDOTTSWSA-N 0 0 385.605 3.292 10 5 GGBERN C[C@](O)(Cc1ccccc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560797527 566659573 /nfs/dbraw/zinc/65/95/73/566659573.db2.gz LKZFPDCCQPYQAG-INIZCTEOSA-N 0 0 379.210 3.290 10 5 GGBERN C[C@H](CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)NC(=O)C1CCCC1 ZINC000560796634 566660015 /nfs/dbraw/zinc/66/00/15/566660015.db2.gz LQTUBPVMNSRGMD-SNVBAGLBSA-N 0 0 398.257 3.381 10 5 GGBERN Cc1nc(S(=O)(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)sc1C ZINC000487366119 566667355 /nfs/dbraw/zinc/66/73/55/566667355.db2.gz NVPWCRZLWNTGCW-UHFFFAOYSA-N 0 0 395.384 3.165 10 5 GGBERN CC(C)n1ncc2c1C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])CC2 ZINC000580143993 566668401 /nfs/dbraw/zinc/66/84/01/566668401.db2.gz IPIWMBHGGUTOFT-GFCCVEGCSA-N 0 0 380.246 3.499 10 5 GGBERN CCn1c(CNc2ncc([N+](=O)[O-])c(C)n2)nc2cc(Br)ccc21 ZINC000450478067 566674859 /nfs/dbraw/zinc/67/48/59/566674859.db2.gz DGCDMPRBEVWGMI-UHFFFAOYSA-N 0 0 391.229 3.437 10 5 GGBERN O=C(COc1ccc(Cl)c(Cl)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540881455 566678558 /nfs/dbraw/zinc/67/85/58/566678558.db2.gz TUUHCEHRBZXZHR-UHFFFAOYSA-N 0 0 382.203 3.260 10 5 GGBERN Cc1cc(Br)cc(C)c1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000540979545 566685389 /nfs/dbraw/zinc/68/53/89/566685389.db2.gz JMKDAFCKZWXWER-UHFFFAOYSA-N 0 0 379.214 3.113 10 5 GGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCCCn1cc(Br)cn1 ZINC000487715602 566688568 /nfs/dbraw/zinc/68/85/68/566688568.db2.gz CCZCJBSABUJNPT-UHFFFAOYSA-N 0 0 390.241 3.416 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000450658609 566694583 /nfs/dbraw/zinc/69/45/83/566694583.db2.gz NQVUXHANBWSVAV-BBRMVZONSA-N 0 0 396.216 3.057 10 5 GGBERN Cc1cc(N[C@@H](CO)C[C@@H](O)C(C)(C)C)c(Br)cc1[N+](=O)[O-] ZINC000561322951 566695878 /nfs/dbraw/zinc/69/58/78/566695878.db2.gz DDOLINLYAVXGAS-QMTHXVAHSA-N 0 0 375.263 3.236 10 5 GGBERN Cc1nc(-c2ccc(CNC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)s2)cs1 ZINC000515202300 566697413 /nfs/dbraw/zinc/69/74/13/566697413.db2.gz CCYFSZVORVNLBA-UHFFFAOYSA-N 0 0 376.419 3.119 10 5 GGBERN Cc1c(Br)ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1F ZINC000515203719 566697801 /nfs/dbraw/zinc/69/78/01/566697801.db2.gz GPTHFPWZMDQNKL-UHFFFAOYSA-N 0 0 393.172 3.355 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@](O)(C(F)F)C1 ZINC000450703498 566697939 /nfs/dbraw/zinc/69/79/39/566697939.db2.gz KINRTYFQVKLDMM-AWEZNQCLSA-N 0 0 388.168 3.112 10 5 GGBERN O=C(NCCc1c[nH]c2cccc(Br)c12)c1ccc([N+](=O)[O-])cn1 ZINC000580537532 566702769 /nfs/dbraw/zinc/70/27/69/566702769.db2.gz TXXNYXKWMMANNT-UHFFFAOYSA-N 0 0 389.209 3.206 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](c4cccc(Br)c4)C3)nn21 ZINC000450752630 566703394 /nfs/dbraw/zinc/70/33/94/566703394.db2.gz GCVWLCBTMZHJOX-GFCCVEGCSA-N 0 0 388.225 3.394 10 5 GGBERN Cc1c(Cc2nc([C@H](C)n3cc(Br)cn3)no2)cccc1[N+](=O)[O-] ZINC000515300697 566703791 /nfs/dbraw/zinc/70/37/91/566703791.db2.gz XGHQMPQRTYHNPB-JTQLQIEISA-N 0 0 392.213 3.445 10 5 GGBERN Cc1ccsc1[C@@H](CO)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488014993 566704382 /nfs/dbraw/zinc/70/43/82/566704382.db2.gz POKXYPQTTYULDC-CYBMUJFWSA-N 0 0 383.857 3.193 10 5 GGBERN CN(CCn1cc(Br)cn1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488080613 566707413 /nfs/dbraw/zinc/70/74/13/566707413.db2.gz WLFXSDYBCRUBKG-UHFFFAOYSA-N 0 0 376.214 3.238 10 5 GGBERN Cc1ccc(C[C@@H](CO)CNc2ccc([N+](=O)[O-])nc2)cc1Br ZINC000450843841 566712293 /nfs/dbraw/zinc/71/22/93/566712293.db2.gz LEVRLAZQTXFDRK-CYBMUJFWSA-N 0 0 380.242 3.324 10 5 GGBERN Cc1cc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)c(Br)cc1[N+](=O)[O-] ZINC000450880657 566715149 /nfs/dbraw/zinc/71/51/49/566715149.db2.gz LJUYNAHLQDRLPK-UFBFGSQYSA-N 0 0 383.164 3.415 10 5 GGBERN COC[C@H](Cn1cc([N+](=O)[O-])cc(C)c1=O)c1ccc(Br)cc1 ZINC000450889182 566717590 /nfs/dbraw/zinc/71/75/90/566717590.db2.gz PUJYRNCLISNCBE-ZDUSSCGKSA-N 0 0 381.226 3.258 10 5 GGBERN Nc1c(C(=O)N[C@@H]2CCc3cc(Br)ccc32)cccc1[N+](=O)[O-] ZINC000468693845 566721136 /nfs/dbraw/zinc/72/11/36/566721136.db2.gz LPRWGRNSGITZRR-CYBMUJFWSA-N 0 0 376.210 3.357 10 5 GGBERN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000426717746 566726016 /nfs/dbraw/zinc/72/60/16/566726016.db2.gz RPVYLPFGRJLRBW-HNNXBMFYSA-N 0 0 379.210 3.143 10 5 GGBERN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000426793466 566731560 /nfs/dbraw/zinc/73/15/60/566731560.db2.gz NUQDJHZZLOLCTP-HNNXBMFYSA-N 0 0 397.200 3.282 10 5 GGBERN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Br)c(F)c1 ZINC000426807713 566731695 /nfs/dbraw/zinc/73/16/95/566731695.db2.gz OUJJFXLDWYTSGQ-AWEZNQCLSA-N 0 0 397.200 3.282 10 5 GGBERN CC(C)(C(=O)N[C@@H]1CCc2cc(Br)ccc21)n1cc([N+](=O)[O-])cn1 ZINC000608806611 566735550 /nfs/dbraw/zinc/73/55/50/566735550.db2.gz RZPKUHAFKONFME-CQSZACIVSA-N 0 0 393.241 3.093 10 5 GGBERN Cc1cc(Br)cc(C)c1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000608806980 566736087 /nfs/dbraw/zinc/73/60/87/566736087.db2.gz XYGMNIVXPLVGKF-UHFFFAOYSA-N 0 0 395.257 3.222 10 5 GGBERN Cc1cc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C)c1O ZINC000468845410 566737114 /nfs/dbraw/zinc/73/71/14/566737114.db2.gz FXJRBRACCXMCBZ-UHFFFAOYSA-N 0 0 384.841 3.092 10 5 GGBERN CN(Cc1ccccc1Br)C(=O)CCNc1ccc([N+](=O)[O-])nc1 ZINC000561806012 566741802 /nfs/dbraw/zinc/74/18/02/566741802.db2.gz QRZXHDKNKLWFHI-UHFFFAOYSA-N 0 0 393.241 3.213 10 5 GGBERN O=C(Nc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608937066 566743502 /nfs/dbraw/zinc/74/35/02/566743502.db2.gz AAVBCYCJAKITFT-UHFFFAOYSA-N 0 0 375.284 3.094 10 5 GGBERN O=[N+]([O-])c1cnccc1NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000608972652 566745034 /nfs/dbraw/zinc/74/50/34/566745034.db2.gz FBCHRGJQVNERIW-LBPRGKRZSA-N 0 0 377.242 3.113 10 5 GGBERN Cc1ccc(F)c(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1Br ZINC000427087381 566747021 /nfs/dbraw/zinc/74/70/21/566747021.db2.gz NYLNNDPHZZMKGN-UHFFFAOYSA-N 0 0 394.200 3.398 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2sc(Cl)cc2C1 ZINC000581069966 566747848 /nfs/dbraw/zinc/74/78/48/566747848.db2.gz QWEZHRGQICDSRZ-UHFFFAOYSA-N 0 0 388.854 3.065 10 5 GGBERN COc1ccccc1CCN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609197854 566753785 /nfs/dbraw/zinc/75/37/85/566753785.db2.gz SOBDPKLHACPWSZ-UHFFFAOYSA-N 0 0 384.841 3.120 10 5 GGBERN O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3)no2)c(I)c1 ZINC000609475949 566765119 /nfs/dbraw/zinc/76/51/19/566765119.db2.gz SBIGBVFRRMECCU-UHFFFAOYSA-N 0 0 394.128 3.311 10 5 GGBERN COC(=O)c1ncccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000427323920 566765473 /nfs/dbraw/zinc/76/54/73/566765473.db2.gz YDXLTOAJEKEDEX-UHFFFAOYSA-N 0 0 394.181 3.100 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000609571634 566771311 /nfs/dbraw/zinc/77/13/11/566771311.db2.gz AZKVKBKMMQVSGX-NSHDSACASA-N 0 0 386.861 3.374 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)n1 ZINC000427388583 566771333 /nfs/dbraw/zinc/77/13/33/566771333.db2.gz BDAVJYXAJRSBLE-LBPRGKRZSA-N 0 0 376.722 3.498 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1)N(CCO)Cc1cc(Br)cs1 ZINC000427535431 566776378 /nfs/dbraw/zinc/77/63/78/566776378.db2.gz DVRLZNXUUJREQN-UHFFFAOYSA-N 0 0 385.239 3.054 10 5 GGBERN O=C(Cc1cscc1Br)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581442967 566778333 /nfs/dbraw/zinc/77/83/33/566778333.db2.gz DMSGWUGVJWLTGH-UHFFFAOYSA-N 0 0 385.239 3.157 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3ccccc3n2)c(Cl)c1 ZINC000609638537 566779021 /nfs/dbraw/zinc/77/90/21/566779021.db2.gz FRQJKHNVAAIKHJ-UHFFFAOYSA-N 0 0 377.809 3.275 10 5 GGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427562372 566780034 /nfs/dbraw/zinc/78/00/34/566780034.db2.gz HWNSIMGHLVXUSN-UHFFFAOYSA-N 0 0 399.266 3.362 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccccc1Br ZINC000469343705 566783349 /nfs/dbraw/zinc/78/33/49/566783349.db2.gz PPNYLLUPUGXRTJ-UHFFFAOYSA-N 0 0 379.210 3.338 10 5 GGBERN Cc1c(Br)c(=O)n(CC(=O)c2c[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000542219614 566784136 /nfs/dbraw/zinc/78/41/36/566784136.db2.gz HTHYSSRIMHLRIY-UHFFFAOYSA-N 0 0 390.193 3.192 10 5 GGBERN CN(Cc1cscn1)c1nc(N(C)Cc2cscn2)c([N+](=O)[O-])s1 ZINC000609796763 566785208 /nfs/dbraw/zinc/78/52/08/566785208.db2.gz OEPJRWGDZCQLCF-UHFFFAOYSA-N 0 0 382.496 3.237 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000609783925 566785254 /nfs/dbraw/zinc/78/52/54/566785254.db2.gz MIBOOYITNKNNJF-CABCVRRESA-N 0 0 384.885 3.304 10 5 GGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(Br)cccn23)c1 ZINC000516888852 566790451 /nfs/dbraw/zinc/79/04/51/566790451.db2.gz KATOCZGQFNWTIE-UHFFFAOYSA-N 0 0 391.181 3.266 10 5 GGBERN O=C(C(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccc(Br)cc1 ZINC000609973455 566797330 /nfs/dbraw/zinc/79/73/30/566797330.db2.gz RUCFLEOFLSSLDM-UHFFFAOYSA-N 0 0 375.178 3.129 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000562562112 566803096 /nfs/dbraw/zinc/80/30/96/566803096.db2.gz GMFBLLDVPOFBCP-LBPRGKRZSA-N 0 0 376.210 3.382 10 5 GGBERN Cc1nc2ccc(S(=O)(=O)NCCc3cccc([N+](=O)[O-])c3)cc2s1 ZINC000489689853 566803975 /nfs/dbraw/zinc/80/39/75/566803975.db2.gz JNUDOVXPNXHVNY-UHFFFAOYSA-N 0 0 377.447 3.034 10 5 GGBERN O=C(c1cc[nH]c(=O)c1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000469669982 566806783 /nfs/dbraw/zinc/80/67/83/566806783.db2.gz BTDNTWZNLLKAPC-UHFFFAOYSA-N 0 0 392.209 3.263 10 5 GGBERN Cc1c(Br)c(N[C@H](c2nc[nH]n2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000489901622 566816282 /nfs/dbraw/zinc/81/62/82/566816282.db2.gz XCTMFSZZMFONPT-ZDUSSCGKSA-N 0 0 389.213 3.380 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])CCC2)n1 ZINC000581978487 566819891 /nfs/dbraw/zinc/81/98/91/566819891.db2.gz GFLBCLLLEGVPGY-UHFFFAOYSA-N 0 0 381.479 3.334 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000489971897 566820715 /nfs/dbraw/zinc/82/07/15/566820715.db2.gz LTIJTSVEYPUDAG-LLVKDONJSA-N 0 0 378.397 3.097 10 5 GGBERN O=C(Cc1sccc1Br)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000451467999 566824091 /nfs/dbraw/zinc/82/40/91/566824091.db2.gz QLVAVGHVNSQAPV-UHFFFAOYSA-N 0 0 399.270 3.022 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])CCC2)n1 ZINC000610431334 566830917 /nfs/dbraw/zinc/83/09/17/566830917.db2.gz DVVRDEYAQUAGAI-UHFFFAOYSA-N 0 0 381.479 3.334 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000542865909 566832737 /nfs/dbraw/zinc/83/27/37/566832737.db2.gz XUSSZNDEXHPDKW-LBPRGKRZSA-N 0 0 379.214 3.008 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000542865908 566832834 /nfs/dbraw/zinc/83/28/34/566832834.db2.gz XUSSZNDEXHPDKW-GFCCVEGCSA-N 0 0 379.214 3.008 10 5 GGBERN O=C(Nc1cc(I)ccc1O)c1ccccc1[N+](=O)[O-] ZINC000610485558 566834291 /nfs/dbraw/zinc/83/42/91/566834291.db2.gz KZKCSYQGBSMMJO-UHFFFAOYSA-N 0 0 384.129 3.157 10 5 GGBERN O=C(Nc1cc(I)ccc1O)c1csc([N+](=O)[O-])c1 ZINC000610486338 566835228 /nfs/dbraw/zinc/83/52/28/566835228.db2.gz SBQHUSIMSJWLSF-UHFFFAOYSA-N 0 0 390.158 3.219 10 5 GGBERN O=[N+]([O-])c1ccc(NCc2nnc(-c3ccc(Br)cc3)[nH]2)cn1 ZINC000517619172 566836766 /nfs/dbraw/zinc/83/67/66/566836766.db2.gz LNSGUYREVOYKLR-UHFFFAOYSA-N 0 0 375.186 3.150 10 5 GGBERN CCc1cnc(N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)s1 ZINC000610512546 566838220 /nfs/dbraw/zinc/83/82/20/566838220.db2.gz ZFZJHBUXVLREBK-UHFFFAOYSA-N 0 0 398.286 3.098 10 5 GGBERN Cc1nc(CNc2nc(NCc3csc(C)n3)c([N+](=O)[O-])s2)cs1 ZINC000610514822 566839696 /nfs/dbraw/zinc/83/96/96/566839696.db2.gz ASQKQYLFJFAPJN-UHFFFAOYSA-N 0 0 382.496 3.227 10 5 GGBERN C[C@]1(F)CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000517687073 566839992 /nfs/dbraw/zinc/83/99/92/566839992.db2.gz ISOOJPJCNVISPG-ZDUSSCGKSA-N 0 0 392.168 3.164 10 5 GGBERN CC[C@H](Cc1ccccc1Br)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000470059532 566842390 /nfs/dbraw/zinc/84/23/90/566842390.db2.gz WYTWHJYYYYUQNF-LLVKDONJSA-N 0 0 393.241 3.284 10 5 GGBERN Cc1cc(Br)ccc1CN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000470091313 566845245 /nfs/dbraw/zinc/84/52/45/566845245.db2.gz GALHVUAXAGLMFE-UHFFFAOYSA-N 0 0 395.257 3.256 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CCC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000451594234 566846590 /nfs/dbraw/zinc/84/65/90/566846590.db2.gz BAHUWFJKRJXCEQ-CYBMUJFWSA-N 0 0 395.250 3.178 10 5 GGBERN CC(F)(F)CCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000451604701 566848231 /nfs/dbraw/zinc/84/82/31/566848231.db2.gz BJVDPBPLDDRLLZ-UHFFFAOYSA-N 0 0 387.202 3.071 10 5 GGBERN CC(C)(NS(=O)(=O)c1ccc2ncsc2c1)c1ccccc1[N+](=O)[O-] ZINC000490454761 566854022 /nfs/dbraw/zinc/85/40/22/566854022.db2.gz RJDYOQARODTVDE-UHFFFAOYSA-N 0 0 377.447 3.418 10 5 GGBERN CC[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000610679677 566854551 /nfs/dbraw/zinc/85/45/51/566854551.db2.gz NMSIYSBQNVMZGA-ZDUSSCGKSA-N 0 0 381.479 3.076 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC(CC(F)(F)F)C1 ZINC000610744755 566858108 /nfs/dbraw/zinc/85/81/08/566858108.db2.gz HHXIGFZUHFPVLJ-UHFFFAOYSA-N 0 0 381.148 3.311 10 5 GGBERN CCOc1cccc(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000610760452 566860725 /nfs/dbraw/zinc/86/07/25/566860725.db2.gz KVNZVVMWTGORJH-UHFFFAOYSA-N 0 0 394.225 3.124 10 5 GGBERN CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000610760592 566861417 /nfs/dbraw/zinc/86/14/17/566861417.db2.gz XQUUVLOVQPSIRT-UHFFFAOYSA-N 0 0 394.225 3.124 10 5 GGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(C)(C)C ZINC000582489117 566867315 /nfs/dbraw/zinc/86/73/15/566867315.db2.gz DVPUGOYMCXHBRZ-MRVPVSSYSA-N 0 0 376.194 3.364 10 5 GGBERN CO[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000470389942 566869666 /nfs/dbraw/zinc/86/96/66/566869666.db2.gz WFTMLHAZUKKADU-JTQLQIEISA-N 0 0 385.136 3.055 10 5 GGBERN CC(F)(F)CCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000582528323 566870954 /nfs/dbraw/zinc/87/09/54/566870954.db2.gz HUDITWSEUWYVID-UHFFFAOYSA-N 0 0 398.147 3.365 10 5 GGBERN CCOc1cccc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000610900523 566871951 /nfs/dbraw/zinc/87/19/51/566871951.db2.gz IZSZKVDOHHJYCI-UHFFFAOYSA-N 0 0 394.225 3.124 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Cl)o2)c(Br)c1 ZINC000610955531 566877958 /nfs/dbraw/zinc/87/79/58/566877958.db2.gz AUUYJWIQTVEAOR-UHFFFAOYSA-N 0 0 395.618 3.082 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc([S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000518350134 566878614 /nfs/dbraw/zinc/87/86/14/566878614.db2.gz CUGAYQWGCICUKH-QHCPKHFHSA-N 0 0 388.854 3.095 10 5 GGBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000451774066 566878953 /nfs/dbraw/zinc/87/89/53/566878953.db2.gz DJCWLKPEAREMOC-YPMHNXCESA-N 0 0 380.388 3.130 10 5 GGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000451791326 566882497 /nfs/dbraw/zinc/88/24/97/566882497.db2.gz ZVXJQTJJQLCQNE-DGCLKSJQSA-N 0 0 380.388 3.130 10 5 GGBERN CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CCN1CC(F)F ZINC000543436751 566882697 /nfs/dbraw/zinc/88/26/97/566882697.db2.gz RIYOXWWHJBLWDA-JTQLQIEISA-N 0 0 393.232 3.226 10 5 GGBERN Cc1nnc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000518470899 566885819 /nfs/dbraw/zinc/88/58/19/566885819.db2.gz HZGWERLJSRCUCA-UHFFFAOYSA-N 0 0 386.231 3.147 10 5 GGBERN COC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000451811556 566886089 /nfs/dbraw/zinc/88/60/89/566886089.db2.gz PKGWPGBDHKISSL-LLVKDONJSA-N 0 0 390.870 3.018 10 5 GGBERN C[C@H](Cc1cc(Br)ccc1F)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000611104549 566890018 /nfs/dbraw/zinc/89/00/18/566890018.db2.gz DJELMXYQZWEDOD-MRVPVSSYSA-N 0 0 397.204 3.033 10 5 GGBERN Cn1ncc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C(F)F ZINC000611159214 566894211 /nfs/dbraw/zinc/89/42/11/566894211.db2.gz BRWPCCCFTFTUPT-UHFFFAOYSA-N 0 0 375.129 3.281 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](CO)c1cccc(Br)c1 ZINC000543642405 566896588 /nfs/dbraw/zinc/89/65/88/566896588.db2.gz ORUXNTNEJRNDNL-CQSZACIVSA-N 0 0 398.188 3.352 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](CO)c1cccc(Br)c1 ZINC000543642404 566897512 /nfs/dbraw/zinc/89/75/12/566897512.db2.gz ORUXNTNEJRNDNL-AWEZNQCLSA-N 0 0 398.188 3.352 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000543669732 566899087 /nfs/dbraw/zinc/89/90/87/566899087.db2.gz WAQKXVFHBHZGBP-HNNXBMFYSA-N 0 0 388.873 3.218 10 5 GGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCO[C@H](c3cccs3)C2)c1 ZINC000543676416 566900522 /nfs/dbraw/zinc/90/05/22/566900522.db2.gz UZGPDXVPIRDUIO-AWEZNQCLSA-N 0 0 382.463 3.035 10 5 GGBERN CCc1cnc(N2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)s1 ZINC000611227616 566902506 /nfs/dbraw/zinc/90/25/06/566902506.db2.gz UMUPPPNZZKJBCQ-UHFFFAOYSA-N 0 0 398.286 3.098 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N3CCc4sc(Br)cc4C3)nn21 ZINC000611242314 566903431 /nfs/dbraw/zinc/90/34/31/566903431.db2.gz ZBEOUAZNVFYZMN-UHFFFAOYSA-N 0 0 380.227 3.024 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(N3CCc4c(F)cc(Br)cc4C3)nn21 ZINC000611241964 566903818 /nfs/dbraw/zinc/90/38/18/566903818.db2.gz UJOHFVUJTYNWDW-UHFFFAOYSA-N 0 0 392.188 3.102 10 5 GGBERN CS(=O)(=O)c1cc(CNc2ccc([N+](=O)[O-])nc2)cc(C(F)(F)F)c1 ZINC000582982289 566912202 /nfs/dbraw/zinc/91/22/02/566912202.db2.gz SEBSYLDSMSPOPP-UHFFFAOYSA-N 0 0 375.328 3.024 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(CCCO)c1 ZINC000543844462 566916102 /nfs/dbraw/zinc/91/61/02/566916102.db2.gz PBRJRMQEXRADDP-UHFFFAOYSA-N 0 0 393.237 3.463 10 5 GGBERN Cc1ccncc1N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000543873841 566919976 /nfs/dbraw/zinc/91/99/76/566919976.db2.gz LBNWLJJCSREWIX-UHFFFAOYSA-N 0 0 377.242 3.387 10 5 GGBERN CCOC(=O)Cc1csc(Sc2cc(C(=O)OC)ccc2[N+](=O)[O-])n1 ZINC000543903502 566921436 /nfs/dbraw/zinc/92/14/36/566921436.db2.gz IUORZXRUKUGJJJ-UHFFFAOYSA-N 0 0 382.419 3.095 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)c(F)cc2Cl)n1 ZINC000611543521 566927011 /nfs/dbraw/zinc/92/70/11/566927011.db2.gz OFYDHRGMYPNYQX-UHFFFAOYSA-N 0 0 377.557 3.136 10 5 GGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000611586095 566930056 /nfs/dbraw/zinc/93/00/56/566930056.db2.gz MCBZIZYTGXYBDJ-KOLCDFICSA-N 0 0 378.759 3.246 10 5 GGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](OC(F)F)C1 ZINC000611580596 566930397 /nfs/dbraw/zinc/93/03/97/566930397.db2.gz YDWZLZXXFRHPDT-MWLCHTKSSA-N 0 0 377.775 3.279 10 5 GGBERN O=[N+]([O-])c1ccc2ncnc(NCc3cc(F)cc(Br)c3)c2c1 ZINC000611709042 566933728 /nfs/dbraw/zinc/93/37/28/566933728.db2.gz MXVJLJRYDYZAEV-UHFFFAOYSA-N 0 0 377.173 3.474 10 5 GGBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](CO)c3cccc(Br)c3)c2c1 ZINC000611710915 566934022 /nfs/dbraw/zinc/93/40/22/566934022.db2.gz IBXFUBHUOZZBAA-HNNXBMFYSA-N 0 0 389.209 3.446 10 5 GGBERN Cc1c(Br)c(=O)n(CCN2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000544080911 566936241 /nfs/dbraw/zinc/93/62/41/566936241.db2.gz YIYUPHGPRBWKBK-UHFFFAOYSA-N 0 0 392.253 3.280 10 5 GGBERN Cc1cn2c(n1)CN(c1c3cc(Br)ccc3ncc1[N+](=O)[O-])CC2 ZINC000611764164 566937026 /nfs/dbraw/zinc/93/70/26/566937026.db2.gz DOFRRLLFZWFNDZ-UHFFFAOYSA-N 0 0 388.225 3.431 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCC[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000544100566 566938532 /nfs/dbraw/zinc/93/85/32/566938532.db2.gz KWKOBMHWLXRFJN-ZYHUDNBSSA-N 0 0 376.862 3.040 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000544100565 566938560 /nfs/dbraw/zinc/93/85/60/566938560.db2.gz KWKOBMHWLXRFJN-PWSUYJOCSA-N 0 0 376.862 3.040 10 5 GGBERN CCOc1ccc(Br)cc1-c1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000544129871 566942274 /nfs/dbraw/zinc/94/22/74/566942274.db2.gz TZXOAPMRRNSLFO-UHFFFAOYSA-N 0 0 394.185 3.207 10 5 GGBERN O=C(NCc1n[nH]cc1Br)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000519520026 566945550 /nfs/dbraw/zinc/94/55/50/566945550.db2.gz GLNTYIJUAJAHNK-UHFFFAOYSA-N 0 0 397.232 3.097 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@@H]1C(F)(F)F ZINC000612043817 566949407 /nfs/dbraw/zinc/94/94/07/566949407.db2.gz MFRAANYCCYVXIB-LLVKDONJSA-N 0 0 384.763 3.130 10 5 GGBERN COC[C@@](C)(NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000612046134 566949674 /nfs/dbraw/zinc/94/96/74/566949674.db2.gz BMOXVGQNDPNBIZ-GFCCVEGCSA-N 0 0 386.779 3.424 10 5 GGBERN C[C@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000452197880 566950440 /nfs/dbraw/zinc/95/04/40/566950440.db2.gz UBUQIPJGSUWXDB-ZDUSSCGKSA-N 0 0 392.168 3.164 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000452194180 566950632 /nfs/dbraw/zinc/95/06/32/566950632.db2.gz OSZCNGPPUGIGPX-UHFFFAOYSA-N 0 0 394.200 3.398 10 5 GGBERN Cc1c(N[C@@H]2CCN(CC(F)(F)F)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000429795386 566951105 /nfs/dbraw/zinc/95/11/05/566951105.db2.gz RKJJXYCRNSRPNN-SECBINFHSA-N 0 0 396.163 3.241 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ccc(F)c(Br)c3)no2)n1 ZINC000564240807 566956137 /nfs/dbraw/zinc/95/61/37/566956137.db2.gz QWFADRONICCZOH-UHFFFAOYSA-N 0 0 396.176 3.354 10 5 GGBERN O=[N+]([O-])c1cccc2ncnc(NCc3cc(F)cc(Br)c3)c21 ZINC000544396486 566960964 /nfs/dbraw/zinc/96/09/64/566960964.db2.gz FCMQPFYZESXMPX-UHFFFAOYSA-N 0 0 377.173 3.474 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3cc(Br)cs3)no2)n1 ZINC000519757164 566965706 /nfs/dbraw/zinc/96/57/06/566965706.db2.gz HBXPJGDSWTWMHR-UHFFFAOYSA-N 0 0 384.215 3.276 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000429963107 566970632 /nfs/dbraw/zinc/97/06/32/566970632.db2.gz KIZWPPLXXKQSEG-UHFFFAOYSA-N 0 0 390.237 3.320 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430000392 566974916 /nfs/dbraw/zinc/97/49/16/566974916.db2.gz INHJBRVYVJMOHP-SECBINFHSA-N 0 0 389.271 3.252 10 5 GGBERN O=C(Nc1ccncc1Br)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612556715 566981801 /nfs/dbraw/zinc/98/18/01/566981801.db2.gz RBWANJMLKQCPCK-UHFFFAOYSA-N 0 0 390.115 3.445 10 5 GGBERN Cc1noc([C@@H](C)N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000583820640 566986979 /nfs/dbraw/zinc/98/69/79/566986979.db2.gz LGQKEAZDKXWMPT-SSDOTTSWSA-N 0 0 384.190 3.274 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)c1cccc(Br)c1 ZINC000430202832 567000420 /nfs/dbraw/zinc/00/04/20/567000420.db2.gz DJNJRITYFJRNEC-HNNXBMFYSA-N 0 0 381.226 3.189 10 5 GGBERN CS(=O)(=O)c1ccc(CNc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000564743530 567004772 /nfs/dbraw/zinc/00/47/72/567004772.db2.gz SSXWXVYVTQHCQL-UHFFFAOYSA-N 0 0 385.239 3.373 10 5 GGBERN Cc1c(NC(=O)C(=O)N[C@@H]2CC23CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000430332284 567010163 /nfs/dbraw/zinc/01/01/63/567010163.db2.gz NVGDWKHDGMSLOP-CYBMUJFWSA-N 0 0 396.241 3.053 10 5 GGBERN CC(C)c1ccc(C(=O)NCc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000452765394 567015390 /nfs/dbraw/zinc/01/53/90/567015390.db2.gz KNEIICISQQFWEF-UHFFFAOYSA-N 0 0 381.230 3.144 10 5 GGBERN CC(C)[C@@H]1C[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000452832005 567020840 /nfs/dbraw/zinc/02/08/40/567020840.db2.gz LWFDXYQHOBOMJH-WBMJQRKESA-N 0 0 399.285 3.467 10 5 GGBERN C[C@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000545129181 567022689 /nfs/dbraw/zinc/02/26/89/567022689.db2.gz FMUILKAELZMSBF-QMMMGPOBSA-N 0 0 378.186 3.293 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(=O)Nc2ccccc21 ZINC000430639009 567025210 /nfs/dbraw/zinc/02/52/10/567025210.db2.gz GYSJUOGPRBMAHH-UHFFFAOYSA-N 0 0 390.193 3.346 10 5 GGBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000520968001 567032205 /nfs/dbraw/zinc/03/22/05/567032205.db2.gz NVLTZHBIYLHQRW-UHFFFAOYSA-N 0 0 383.832 3.407 10 5 GGBERN NC(=O)c1ncc(Br)cc1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472508010 567032558 /nfs/dbraw/zinc/03/25/58/567032558.db2.gz YLVYFNUJSRCRCV-UHFFFAOYSA-N 0 0 399.632 3.159 10 5 GGBERN CC[C@H](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000584352356 567035961 /nfs/dbraw/zinc/03/59/61/567035961.db2.gz MRHTXSYRVGVERN-ZANVPECISA-N 0 0 387.230 3.065 10 5 GGBERN O=[N+]([O-])c1cc(CNc2cccc(S(=O)(=O)C3CCOCC3)c2)cs1 ZINC000453136061 567055611 /nfs/dbraw/zinc/05/56/11/567055611.db2.gz PBKGRZBPYCZFTD-UHFFFAOYSA-N 0 0 382.463 3.221 10 5 GGBERN O=C(Cc1[nH]nc2ccccc21)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000584670949 567060173 /nfs/dbraw/zinc/06/01/73/567060173.db2.gz AFEAQOQZTJMMQB-UHFFFAOYSA-N 0 0 375.182 3.415 10 5 GGBERN O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)Nc1c(Cl)cccc1Cl ZINC000495444924 567060306 /nfs/dbraw/zinc/06/03/06/567060306.db2.gz OCUVOCDIWQOGMR-UHFFFAOYSA-N 0 0 381.219 3.293 10 5 GGBERN CCC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000431182141 567063412 /nfs/dbraw/zinc/06/34/12/567063412.db2.gz MHYIAZNGFXQTAQ-LLVKDONJSA-N 0 0 398.257 3.253 10 5 GGBERN Cc1c(NC(=O)C(C)(C)c2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431181706 567063726 /nfs/dbraw/zinc/06/37/26/567063726.db2.gz KWYGAEALVXCCIB-UHFFFAOYSA-N 0 0 381.230 3.316 10 5 GGBERN CNC(=O)c1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431178929 567063953 /nfs/dbraw/zinc/06/39/53/567063953.db2.gz BOMYWNCUJDFNSN-UHFFFAOYSA-N 0 0 392.209 3.278 10 5 GGBERN CCOC(=O)C1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCC1 ZINC000431226146 567066922 /nfs/dbraw/zinc/06/69/22/567066922.db2.gz REVHISDEQOHIEL-UHFFFAOYSA-N 0 0 385.214 3.338 10 5 GGBERN CC(=O)Nc1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cs1 ZINC000431266071 567070347 /nfs/dbraw/zinc/07/03/47/567070347.db2.gz YXDYPJZMIGJPLQ-UHFFFAOYSA-N 0 0 399.226 3.333 10 5 GGBERN O=[N+]([O-])c1ccc(Cc2noc(/C=C\c3cnccn3)n2)c(Br)c1 ZINC000545740103 567072754 /nfs/dbraw/zinc/07/27/54/567072754.db2.gz GNLJMTRBAAHHRR-RQOWECAXSA-N 0 0 388.181 3.292 10 5 GGBERN C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)s1 ZINC000496304720 567073507 /nfs/dbraw/zinc/07/35/07/567073507.db2.gz OYKSSXRNDPOZBL-QMMMGPOBSA-N 0 0 381.797 3.095 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCOCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000613969775 567073445 /nfs/dbraw/zinc/07/34/45/567073445.db2.gz QFQRJPQUQFETBS-UHFFFAOYSA-N 0 0 388.873 3.138 10 5 GGBERN Cc1ccncc1N1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000584859908 567075688 /nfs/dbraw/zinc/07/56/88/567075688.db2.gz IFSKQTBRUAEFQL-UHFFFAOYSA-N 0 0 392.257 3.091 10 5 GGBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000473383757 567076299 /nfs/dbraw/zinc/07/62/99/567076299.db2.gz DKYQZHDKYVCBIC-JOYOIKCWSA-N 0 0 378.372 3.092 10 5 GGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000473383760 567076340 /nfs/dbraw/zinc/07/63/40/567076340.db2.gz DKYQZHDKYVCBIC-SKDRFNHKSA-N 0 0 378.372 3.092 10 5 GGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000473383501 567076852 /nfs/dbraw/zinc/07/68/52/567076852.db2.gz DKYQZHDKYVCBIC-BXKDBHETSA-N 0 0 378.372 3.092 10 5 GGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCSC[C@H]1c1nccs1 ZINC000565543965 567077525 /nfs/dbraw/zinc/07/75/25/567077525.db2.gz LAJHVGLCGKSTSW-ZDUSSCGKSA-N 0 0 385.417 3.189 10 5 GGBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1I ZINC000496706546 567078469 /nfs/dbraw/zinc/07/84/69/567078469.db2.gz GWSJKRLGZQSKNP-UHFFFAOYSA-N 0 0 397.172 3.464 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCc2ncccc2C1 ZINC000585701284 567080817 /nfs/dbraw/zinc/08/08/17/567080817.db2.gz WGGXQHLXNCUOCA-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000585741085 567085447 /nfs/dbraw/zinc/08/54/47/567085447.db2.gz ZIWBGVMWTVXXGL-CQSZACIVSA-N 0 0 395.264 3.093 10 5 GGBERN Cc1cc(NCCC2CCS(=O)(=O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473513480 567086278 /nfs/dbraw/zinc/08/62/78/567086278.db2.gz NQWVEYRVAGYWMB-UHFFFAOYSA-N 0 0 391.287 3.293 10 5 GGBERN CN(Cc1ccsc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585757477 567087252 /nfs/dbraw/zinc/08/72/52/567087252.db2.gz KUPWDBMUYDIXEJ-UHFFFAOYSA-N 0 0 398.238 3.016 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000545937776 567089714 /nfs/dbraw/zinc/08/97/14/567089714.db2.gz RTVKMKFYSLUTSW-UHFFFAOYSA-N 0 0 381.219 3.259 10 5 GGBERN Cc1csc(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000585808762 567091308 /nfs/dbraw/zinc/09/13/08/567091308.db2.gz GXDUUKPUQJKOBR-UHFFFAOYSA-N 0 0 385.243 3.486 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000497359466 567091415 /nfs/dbraw/zinc/09/14/15/567091415.db2.gz AXJQNPPRCBAQML-UHFFFAOYSA-N 0 0 394.225 3.212 10 5 GGBERN Cn1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1C(F)(F)F ZINC000585810357 567091467 /nfs/dbraw/zinc/09/14/67/567091467.db2.gz IGFRSOPSRRLAQB-UHFFFAOYSA-N 0 0 393.119 3.362 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000585808267 567091497 /nfs/dbraw/zinc/09/14/97/567091497.db2.gz OUCCWXZKHULTQS-SNVBAGLBSA-N 0 0 398.135 3.152 10 5 GGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587425743 567104533 /nfs/dbraw/zinc/10/45/33/567104533.db2.gz RKQJOZNJOFQNTL-HQJQHLMTSA-N 0 0 397.147 3.149 10 5 GGBERN Nc1cc(N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc(CO)c1[N+](=O)[O-] ZINC000587797261 567104608 /nfs/dbraw/zinc/10/46/08/567104608.db2.gz USZWHXMTYIMTTP-UKRRQHHQSA-N 0 0 378.226 3.400 10 5 GGBERN Cc1[nH]nc(C(=O)N2CC(C)(C)c3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000587519855 567105208 /nfs/dbraw/zinc/10/52/08/567105208.db2.gz PJWKLNRVURCAKM-UHFFFAOYSA-N 0 0 379.214 3.327 10 5 GGBERN C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1cccc(Br)c1 ZINC000587987679 567106182 /nfs/dbraw/zinc/10/61/82/567106182.db2.gz CASBFMDZYWWCRC-SNVBAGLBSA-N 0 0 396.241 3.311 10 5 GGBERN Cc1cc(Br)cc2c1CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)CC2 ZINC000588012288 567108278 /nfs/dbraw/zinc/10/82/78/567108278.db2.gz QOPODBOCHGVNLM-UHFFFAOYSA-N 0 0 392.253 3.303 10 5 GGBERN Nc1cc(NCc2cc(F)c(F)cc2Br)cc(CO)c1[N+](=O)[O-] ZINC000588078957 567112767 /nfs/dbraw/zinc/11/27/67/567112767.db2.gz CYMHZMXOLWPPGU-UHFFFAOYSA-N 0 0 388.168 3.322 10 5 GGBERN COc1cnc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)c(Br)c1 ZINC000588327589 567125382 /nfs/dbraw/zinc/12/53/82/567125382.db2.gz KIYIWTFOKSKVIT-UHFFFAOYSA-N 0 0 396.197 3.144 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)n1 ZINC000497886158 567131085 /nfs/dbraw/zinc/13/10/85/567131085.db2.gz HQARAAFJDYODKR-UHFFFAOYSA-N 0 0 396.841 3.237 10 5 GGBERN Cc1cc(N2CC[C@H](Nc3ncccn3)C2)c(Br)cc1[N+](=O)[O-] ZINC000566160590 567131055 /nfs/dbraw/zinc/13/10/55/567131055.db2.gz NDIWLTNQPYOKRF-NSHDSACASA-N 0 0 378.230 3.147 10 5 GGBERN O=[N+]([O-])c1ccc(OC[C@H](O)COc2c(Cl)cccc2Cl)cc1CO ZINC000432238285 567139765 /nfs/dbraw/zinc/13/97/65/567139765.db2.gz OZWSGZPKDXRDIS-NSHDSACASA-N 0 0 388.203 3.213 10 5 GGBERN COc1ccc(C(=O)Nc2cnc3c(Br)cccn23)cc1[N+](=O)[O-] ZINC000588868480 567140504 /nfs/dbraw/zinc/14/05/04/567140504.db2.gz CBGFAACRFNBEBG-UHFFFAOYSA-N 0 0 391.181 3.266 10 5 GGBERN O=C(Nc1cnc2c(Br)cccn12)c1ccc(F)cc1[N+](=O)[O-] ZINC000588868599 567140997 /nfs/dbraw/zinc/14/09/97/567140997.db2.gz UHEFHJSGGIPKJC-UHFFFAOYSA-N 0 0 379.145 3.396 10 5 GGBERN Cc1sc(C(=O)N(CCn2ccnc2)C2CCSCC2)cc1[N+](=O)[O-] ZINC000588845850 567141009 /nfs/dbraw/zinc/14/10/09/567141009.db2.gz VVZYODKDHJOQLJ-UHFFFAOYSA-N 0 0 380.495 3.199 10 5 GGBERN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000523276060 567149163 /nfs/dbraw/zinc/14/91/63/567149163.db2.gz ZKMGKWIHOAOMNV-NSHDSACASA-N 0 0 395.257 3.036 10 5 GGBERN C[C@@H]1CC2(CCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000432316489 567150521 /nfs/dbraw/zinc/15/05/21/567150521.db2.gz XEUMVXWTWZJDAW-SNVBAGLBSA-N 0 0 389.271 3.311 10 5 GGBERN CCNc1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000432416010 567159788 /nfs/dbraw/zinc/15/97/88/567159788.db2.gz YBWMZURVZCIYTR-VIFPVBQESA-N 0 0 394.229 3.070 10 5 GGBERN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cc(F)cc2cccnc21 ZINC000474340712 567160538 /nfs/dbraw/zinc/16/05/38/567160538.db2.gz FUBFKWSUAJNLDY-UHFFFAOYSA-N 0 0 378.157 3.255 10 5 GGBERN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1csc(Br)c1 ZINC000474359272 567162043 /nfs/dbraw/zinc/16/20/43/567162043.db2.gz CLEXXQPKAZNUDF-UHFFFAOYSA-N 0 0 394.044 3.391 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3cccc(Br)c3C2)n1 ZINC000566519028 567165109 /nfs/dbraw/zinc/16/51/09/567165109.db2.gz CIECYNPWUSSZSU-UHFFFAOYSA-N 0 0 392.209 3.102 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000546881853 567168233 /nfs/dbraw/zinc/16/82/33/567168233.db2.gz MCPBNQXMAYFOBP-CQSZACIVSA-N 0 0 380.809 3.163 10 5 GGBERN CN(C)c1cccnc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000589344256 567177334 /nfs/dbraw/zinc/17/73/34/567177334.db2.gz YPHPYLWPZUBTRL-UHFFFAOYSA-N 0 0 394.229 3.140 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1C1CCC1 ZINC000566677271 567179336 /nfs/dbraw/zinc/17/93/36/567179336.db2.gz ZAXLLDZOZVOVCE-CQSZACIVSA-N 0 0 384.230 3.390 10 5 GGBERN CC1(C)CN(c2nccc(C(N)=O)c2[N+](=O)[O-])c2ccc(Br)cc21 ZINC000589599609 567185489 /nfs/dbraw/zinc/18/54/89/567185489.db2.gz GUFNHYBQMOHLGR-UHFFFAOYSA-N 0 0 391.225 3.281 10 5 GGBERN COC[C@](C)(NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000432750884 567185601 /nfs/dbraw/zinc/18/56/01/567185601.db2.gz PJWIKLFFGHQGAV-NSHDSACASA-N 0 0 385.136 3.055 10 5 GGBERN O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000474655905 567187070 /nfs/dbraw/zinc/18/70/70/567187070.db2.gz JXHQPOUEMLWIRF-SECBINFHSA-N 0 0 393.610 3.157 10 5 GGBERN COc1ncc(Br)cc1Cc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000547178057 567187808 /nfs/dbraw/zinc/18/78/08/567187808.db2.gz DJYXSGNNEMRAOY-UHFFFAOYSA-N 0 0 397.210 3.463 10 5 GGBERN CN(CCc1cccc(Br)c1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589696674 567190559 /nfs/dbraw/zinc/19/05/59/567190559.db2.gz MHGWSOWILKGTEF-UHFFFAOYSA-N 0 0 380.242 3.111 10 5 GGBERN COc1cc(CN(C)c2ncc(Br)cc2[N+](=O)[O-])cc(OC)c1 ZINC000474791952 567199020 /nfs/dbraw/zinc/19/90/20/567199020.db2.gz UEPRWUNINYIPTM-UHFFFAOYSA-N 0 0 382.214 3.406 10 5 GGBERN C[C@@]12CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000589992142 567202118 /nfs/dbraw/zinc/20/21/18/567202118.db2.gz AUJWLUUWYFLEAH-WCQYABFASA-N 0 0 375.169 3.475 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1CCN(CC(F)F)CC1 ZINC000567061479 567214144 /nfs/dbraw/zinc/21/41/44/567214144.db2.gz YDYNYOYDBDLPQV-UHFFFAOYSA-N 0 0 375.803 3.264 10 5 GGBERN Cc1ccc(C)c(S(=O)(=O)NC2CCC(OC(F)F)CC2)c1[N+](=O)[O-] ZINC000590764649 567246066 /nfs/dbraw/zinc/24/60/66/567246066.db2.gz MUFOCJLKIKSFHI-UHFFFAOYSA-N 0 0 378.397 3.040 10 5 GGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cc(F)c(Cl)cc1F ZINC000433440684 567248773 /nfs/dbraw/zinc/24/87/73/567248773.db2.gz ULJACKVQKDYIGV-UHFFFAOYSA-N 0 0 376.768 3.313 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cc(F)c(Cl)cc1F ZINC000433439058 567249605 /nfs/dbraw/zinc/24/96/05/567249605.db2.gz GEIOCXZRSYRONM-UHFFFAOYSA-N 0 0 376.768 3.313 10 5 GGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2cc(F)c(Cl)cc2F)cc1 ZINC000433445046 567250952 /nfs/dbraw/zinc/25/09/52/567250952.db2.gz UZBZNVLPJCYLCC-UHFFFAOYSA-N 0 0 376.768 3.146 10 5 GGBERN Cc1cc(S(=O)(=O)NCc2cc(F)c(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000433446739 567251355 /nfs/dbraw/zinc/25/13/55/567251355.db2.gz IJNUZCHTBJVDPN-UHFFFAOYSA-N 0 0 376.768 3.313 10 5 GGBERN CCOc1cccc(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000433494981 567253783 /nfs/dbraw/zinc/25/37/83/567253783.db2.gz BJNJZHDAPBMBDL-UHFFFAOYSA-N 0 0 384.841 3.168 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CC23CCOCC3)cc(Br)cc1[N+](=O)[O-] ZINC000455349162 567264265 /nfs/dbraw/zinc/26/42/65/567264265.db2.gz FGILTVQZVZBUQQ-ZDUSSCGKSA-N 0 0 384.230 3.356 10 5 GGBERN Cc1c(NC(=O)NC[C@@]2(O)CCC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000455360958 567264364 /nfs/dbraw/zinc/26/43/64/567264364.db2.gz UQXIHWYIWCVJPL-VFZGTOFNSA-N 0 0 386.246 3.338 10 5 GGBERN CC[C@H]1[C@@H](CO)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000455354982 567264372 /nfs/dbraw/zinc/26/43/72/567264372.db2.gz NBLJULRJXNGNRB-MFKMUULPSA-N 0 0 386.246 3.290 10 5 GGBERN Nc1cc(N2CCC[C@@H]2c2ccc(Br)cn2)cc(CO)c1[N+](=O)[O-] ZINC000591174586 567267661 /nfs/dbraw/zinc/26/76/61/567267661.db2.gz XQBLSWQFTVAGTF-OAHLLOKOSA-N 0 0 393.241 3.168 10 5 GGBERN COC(=O)C[C@H](Cc1cc(F)c(F)cc1F)Nc1ncc([N+](=O)[O-])s1 ZINC000591200917 567267942 /nfs/dbraw/zinc/26/79/42/567267942.db2.gz RXHVEVKHKJSCSD-QMMMGPOBSA-N 0 0 375.328 3.055 10 5 GGBERN Cc1cc(Br)cc(C)c1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000499711175 567268546 /nfs/dbraw/zinc/26/85/46/567268546.db2.gz KCHIMLVWFQGDKF-UHFFFAOYSA-N 0 0 378.226 3.486 10 5 GGBERN O=C(NCC1(CF)CCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455400790 567270468 /nfs/dbraw/zinc/27/04/68/567270468.db2.gz LIADLVHYUHQSJS-UHFFFAOYSA-N 0 0 390.209 3.245 10 5 GGBERN Cc1nccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1Br ZINC000525850693 567270859 /nfs/dbraw/zinc/27/08/59/567270859.db2.gz AVZKETAMVQKNHV-UHFFFAOYSA-N 0 0 384.617 3.317 10 5 GGBERN Cc1nccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1Br ZINC000525851350 567271266 /nfs/dbraw/zinc/27/12/66/567271266.db2.gz MXLMDSGFIFGDGD-UHFFFAOYSA-N 0 0 391.225 3.309 10 5 GGBERN CCn1cc([C@@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000455399423 567271475 /nfs/dbraw/zinc/27/14/75/567271475.db2.gz JUHCCTFZPLUNJP-SECBINFHSA-N 0 0 382.218 3.456 10 5 GGBERN Cc1cc(Br)ccc1CN(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000433794999 567272371 /nfs/dbraw/zinc/27/23/71/567272371.db2.gz VZFIHMMPQPBAJW-UHFFFAOYSA-N 0 0 376.214 3.345 10 5 GGBERN CN(Cc1cc(Cl)ccc1F)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000433793103 567272618 /nfs/dbraw/zinc/27/26/18/567272618.db2.gz MAYOKVLOZSCCDZ-UHFFFAOYSA-N 0 0 378.834 3.489 10 5 GGBERN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc3ncsc3c1)CCC2 ZINC000475821322 567280334 /nfs/dbraw/zinc/28/03/34/567280334.db2.gz PNBMHEPIEVKHRR-UHFFFAOYSA-N 0 0 375.431 3.346 10 5 GGBERN O=C(Nc1ncc(C(F)(F)F)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000475853019 567282008 /nfs/dbraw/zinc/28/20/08/567282008.db2.gz UBQGOMAFGLNPQM-UHFFFAOYSA-N 0 0 375.284 3.094 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)CC12CCC2 ZINC000591539886 567284955 /nfs/dbraw/zinc/28/49/55/567284955.db2.gz SVUBAHFRNAPXLM-GFCCVEGCSA-N 0 0 383.242 3.185 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc2cnncc21 ZINC000617149251 567285097 /nfs/dbraw/zinc/28/50/97/567285097.db2.gz UBRIMLVERYBHOW-UHFFFAOYSA-N 0 0 387.193 3.482 10 5 GGBERN Cc1nccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1Br ZINC000526100718 567292701 /nfs/dbraw/zinc/29/27/01/567292701.db2.gz ZKRDDJSJPSUGSM-UHFFFAOYSA-N 0 0 387.193 3.283 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000434314658 567303197 /nfs/dbraw/zinc/30/31/97/567303197.db2.gz MPYAYSQGDOWHSH-CYBMUJFWSA-N 0 0 384.885 3.352 10 5 GGBERN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cnc(OC)c(Cl)c1 ZINC000592050484 567311547 /nfs/dbraw/zinc/31/15/47/567311547.db2.gz PIEIYRHUBQZXBA-UHFFFAOYSA-N 0 0 385.829 3.257 10 5 GGBERN COc1ccc(C[C@H](C)Nc2c(Br)cncc2[N+](=O)[O-])cc1OC ZINC000500293042 567312477 /nfs/dbraw/zinc/31/24/77/567312477.db2.gz QYURWOZGRBTQDH-JTQLQIEISA-N 0 0 396.241 3.235 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(c2ccccc2Cl)CC1 ZINC000592067166 567312785 /nfs/dbraw/zinc/31/27/85/567312785.db2.gz PRNARZAMKWAKMT-UHFFFAOYSA-N 0 0 382.825 3.224 10 5 GGBERN Cc1ccc(I)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548466559 567316620 /nfs/dbraw/zinc/31/66/20/567316620.db2.gz SLIYVSWPTQDCNZ-UHFFFAOYSA-N 0 0 383.145 3.155 10 5 GGBERN CN(Cc1cc(Cl)ccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000434762876 567326253 /nfs/dbraw/zinc/32/62/53/567326253.db2.gz JDLMJNYUZNTFKM-UHFFFAOYSA-N 0 0 376.768 3.347 10 5 GGBERN Cc1c(NC(=O)Nc2n[nH]cc2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000592258685 567326993 /nfs/dbraw/zinc/32/69/93/567326993.db2.gz SRVNYYULADBPTH-UHFFFAOYSA-N 0 0 380.202 3.332 10 5 GGBERN CN(Cc1cc(Cl)ccc1F)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000434775598 567327003 /nfs/dbraw/zinc/32/70/03/567327003.db2.gz KOQYRMIOOVZGOM-UHFFFAOYSA-N 0 0 386.832 3.392 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1cc(Cl)ccc1F ZINC000434766246 567327784 /nfs/dbraw/zinc/32/77/84/567327784.db2.gz NJJWBFUZLJYXAX-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000527308143 567329997 /nfs/dbraw/zinc/32/99/97/567329997.db2.gz NCBSEISXPYMKGW-VIFPVBQESA-N 0 0 380.198 3.252 10 5 GGBERN CN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000500544958 567330341 /nfs/dbraw/zinc/33/03/41/567330341.db2.gz LMWQIKUUCUJEGL-UHFFFAOYSA-N 0 0 376.768 3.347 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(F)cc1Cl ZINC000500560725 567331049 /nfs/dbraw/zinc/33/10/49/567331049.db2.gz QEPAZRZWLPOCFR-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN Cc1nccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Br ZINC000527340621 567331807 /nfs/dbraw/zinc/33/18/07/567331807.db2.gz PAFLSIUZDGJCDA-UHFFFAOYSA-N 0 0 389.209 3.145 10 5 GGBERN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527337790 567332670 /nfs/dbraw/zinc/33/26/70/567332670.db2.gz IPRMSVZGISWTRL-CYBMUJFWSA-N 0 0 394.225 3.292 10 5 GGBERN CS[C@@H]1CCCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000435125407 567341896 /nfs/dbraw/zinc/34/18/96/567341896.db2.gz WSQWMUGIDUDDHX-LLVKDONJSA-N 0 0 378.903 3.463 10 5 GGBERN O=C(Cc1c(F)ccc(Br)c1F)NCc1ccccc1[N+](=O)[O-] ZINC000500826515 567348281 /nfs/dbraw/zinc/34/82/81/567348281.db2.gz YRCARRMPGXDWNM-UHFFFAOYSA-N 0 0 385.164 3.494 10 5 GGBERN C[C@@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)CC(F)F ZINC000592673765 567354316 /nfs/dbraw/zinc/35/43/16/567354316.db2.gz XXAWUAGCXDHKGS-SSDOTTSWSA-N 0 0 398.147 3.221 10 5 GGBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000592696869 567355133 /nfs/dbraw/zinc/35/51/33/567355133.db2.gz HPTNHDSRVXTFDJ-OCAPTIKFSA-N 0 0 377.260 3.495 10 5 GGBERN Cc1c(NC(=O)NC[C@@H]2CCC[C@@H](O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435324329 567355819 /nfs/dbraw/zinc/35/58/19/567355819.db2.gz VODMDANFNVYDRK-ZYHUDNBSSA-N 0 0 386.246 3.338 10 5 GGBERN COc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000435323257 567355939 /nfs/dbraw/zinc/35/59/39/567355939.db2.gz KZCFVGLSYNENDA-UHFFFAOYSA-N 0 0 395.213 3.391 10 5 GGBERN Cc1c(NC(=O)NCCOC(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000435323620 567356045 /nfs/dbraw/zinc/35/60/45/567356045.db2.gz NZXMLLKUJNJJMD-UHFFFAOYSA-N 0 0 386.124 3.324 10 5 GGBERN Cc1c(NC(=O)NCCc2cccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000435324347 567356103 /nfs/dbraw/zinc/35/61/03/567356103.db2.gz VTCVRUXBJWFJIR-UHFFFAOYSA-N 0 0 379.214 3.425 10 5 GGBERN Cc1c(NC(=O)NCC(=O)OC(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435324397 567356123 /nfs/dbraw/zinc/35/61/23/567356123.db2.gz WHLABTXSFWFNBQ-UHFFFAOYSA-N 0 0 388.218 3.129 10 5 GGBERN COc1cccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000435326932 567356253 /nfs/dbraw/zinc/35/62/53/567356253.db2.gz FLJJEQSHWHLQDW-UHFFFAOYSA-N 0 0 395.213 3.391 10 5 GGBERN CC[C@@]1(CO)CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435324176 567356506 /nfs/dbraw/zinc/35/65/06/567356506.db2.gz TWPZJBNXUMGZCK-HNNXBMFYSA-N 0 0 386.246 3.435 10 5 GGBERN Cc1c(NC(=O)NC[C@H]2CCC[C@@H](O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435324326 567356535 /nfs/dbraw/zinc/35/65/35/567356535.db2.gz VODMDANFNVYDRK-CMPLNLGQSA-N 0 0 386.246 3.338 10 5 GGBERN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ncsc3Br)n2)c1 ZINC000568813703 567357701 /nfs/dbraw/zinc/35/77/01/567357701.db2.gz XUKJZYZKLPJUGY-UHFFFAOYSA-N 0 0 397.210 3.463 10 5 GGBERN Cc1c(NC(=O)N2CC(OCC(F)F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435334049 567357932 /nfs/dbraw/zinc/35/79/32/567357932.db2.gz WCENVCHOAXQNPU-UHFFFAOYSA-N 0 0 394.172 3.164 10 5 GGBERN CC[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1csc(C)c1 ZINC000592727490 567358222 /nfs/dbraw/zinc/35/82/22/567358222.db2.gz BJBRJWARGBSNFP-ZDUSSCGKSA-N 0 0 382.463 3.249 10 5 GGBERN O=[N+]([O-])c1cnc(N2CC[C@@]3(CNc4ccccc43)C2)c(Br)c1 ZINC000618166200 567360059 /nfs/dbraw/zinc/36/00/59/567360059.db2.gz BDSKPUXCSXOCOF-MRXNPFEDSA-N 0 0 375.226 3.326 10 5 GGBERN O=C(NCc1ccc(CO)c(F)c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501080537 567362456 /nfs/dbraw/zinc/36/24/56/567362456.db2.gz CVUZVRVPUGXLMY-UHFFFAOYSA-N 0 0 398.188 3.310 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N(C[C@@H]1CCOC1)C1CC1 ZINC000501082210 567362663 /nfs/dbraw/zinc/36/26/63/567362663.db2.gz ICWBFFVGAVCZKF-JTQLQIEISA-N 0 0 384.230 3.390 10 5 GGBERN COC(=O)c1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000501075276 567362828 /nfs/dbraw/zinc/36/28/28/567362828.db2.gz OULJMPPKNDCPDY-UHFFFAOYSA-N 0 0 398.169 3.059 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000501098366 567364148 /nfs/dbraw/zinc/36/41/48/567364148.db2.gz HBKVYYUTSUCWNY-GJZGRUSLSA-N 0 0 392.209 3.137 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCOCC2(CCC2)C1 ZINC000501085673 567364289 /nfs/dbraw/zinc/36/42/89/567364289.db2.gz OIXQMLQTGVSRAV-UHFFFAOYSA-N 0 0 384.230 3.392 10 5 GGBERN CN(C)c1cccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000501121282 567365749 /nfs/dbraw/zinc/36/57/49/567365749.db2.gz VCHRJECBHPXDLA-UHFFFAOYSA-N 0 0 394.229 3.140 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1cc(F)c(Br)cc1Cl ZINC000548986563 567366271 /nfs/dbraw/zinc/36/62/71/567366271.db2.gz HTRZCUQCWTURDG-UHFFFAOYSA-N 0 0 390.552 3.436 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N(CCO)Cc1ccccc1 ZINC000501110440 567366505 /nfs/dbraw/zinc/36/65/05/567366505.db2.gz XECFPJBFAHEJCZ-UHFFFAOYSA-N 0 0 394.225 3.384 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000435442107 567368745 /nfs/dbraw/zinc/36/87/45/567368745.db2.gz GQGWJDAMQSDTSP-GMSGAONNSA-N 0 0 376.818 3.283 10 5 GGBERN Cc1nn(Cc2ccc(Br)cc2[N+](=O)[O-])c(C)c1[C@H]1CCC(=O)N1 ZINC000592989189 567375874 /nfs/dbraw/zinc/37/58/74/567375874.db2.gz LUMZBHUEJYQRTI-CYBMUJFWSA-N 0 0 393.241 3.170 10 5 GGBERN Cc1nc2ccnn2c(C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501280061 567376075 /nfs/dbraw/zinc/37/60/75/567376075.db2.gz ABXPFGHHEHEKOF-UHFFFAOYSA-N 0 0 390.197 3.269 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1coc(C2CCOCC2)n1 ZINC000501272729 567376243 /nfs/dbraw/zinc/37/62/43/567376243.db2.gz VMWPFAAOGGOTBW-UHFFFAOYSA-N 0 0 396.197 3.492 10 5 GGBERN O=[N+]([O-])c1cnccc1NCc1ccc(Cl)cc1I ZINC000618345808 567376591 /nfs/dbraw/zinc/37/65/91/567376591.db2.gz WLQXVWUSFYHAAP-UHFFFAOYSA-N 0 0 389.580 3.282 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000501283858 567377506 /nfs/dbraw/zinc/37/75/06/567377506.db2.gz OYWIYBXFPPKXJX-CYBMUJFWSA-N 0 0 396.172 3.063 10 5 GGBERN CS(=O)(=O)c1ccccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501290744 567378006 /nfs/dbraw/zinc/37/80/06/567378006.db2.gz CVOPPTNMXMSABY-UHFFFAOYSA-N 0 0 399.222 3.013 10 5 GGBERN O=C(Cc1csc2nccn12)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501290385 567378174 /nfs/dbraw/zinc/37/81/74/567378174.db2.gz HFFSJLYZZDPPJE-UHFFFAOYSA-N 0 0 381.211 3.248 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2ccc(Br)cn2)c1 ZINC000593029833 567379453 /nfs/dbraw/zinc/37/94/53/567379453.db2.gz YFFUSFWMJZDFCG-SNVBAGLBSA-N 0 0 394.225 3.390 10 5 GGBERN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501293120 567379490 /nfs/dbraw/zinc/37/94/90/567379490.db2.gz YPXHUJKLDDGMFP-YGRLFVJLSA-N 0 0 387.230 3.270 10 5 GGBERN CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501310727 567380057 /nfs/dbraw/zinc/38/00/57/567380057.db2.gz VWNCLJDHZDNUKM-CYBMUJFWSA-N 0 0 384.230 3.087 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000501308110 567380344 /nfs/dbraw/zinc/38/03/44/567380344.db2.gz YQQHXDPMTKCQKE-UHFFFAOYSA-N 0 0 377.154 3.192 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCC2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000549255650 567382390 /nfs/dbraw/zinc/38/23/90/567382390.db2.gz QTBLZNOJKKEFIR-QWRGUYRKSA-N 0 0 390.889 3.429 10 5 GGBERN CCO[C@@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000549286399 567383969 /nfs/dbraw/zinc/38/39/69/567383969.db2.gz YBUDKRRHDMSSHC-NWANDNLSSA-N 0 0 381.230 3.384 10 5 GGBERN Cc1ccc(NCCCNC(=O)c2nscc2Br)c([N+](=O)[O-])c1 ZINC000593068838 567384006 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O=C(N[C@H](C1CC1)C1CCOCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000593280028 567403355 /nfs/dbraw/zinc/40/33/55/567403355.db2.gz RJWIDAOXIJRGCO-GFCCVEGCSA-N 0 0 389.271 3.354 10 5 GGBERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000436177535 567412609 /nfs/dbraw/zinc/41/26/09/567412609.db2.gz KDTLDVNBEVMPGC-ZJUUUORDSA-N 0 0 377.260 3.166 10 5 GGBERN CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502007892 567416362 /nfs/dbraw/zinc/41/63/62/567416362.db2.gz GZUGWBIOWVBBPL-MRXNPFEDSA-N 0 0 392.253 3.469 10 5 GGBERN O=C(CSc1nc(C2CC2)cc(=O)[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000436258865 567417250 /nfs/dbraw/zinc/41/72/50/567417250.db2.gz JOHUVWYMXPEBMZ-UHFFFAOYSA-N 0 0 380.813 3.352 10 5 GGBERN O=[N+]([O-])c1cnc(NC[C@]2(CO)CCc3ccccc32)c(Br)c1 ZINC000593484524 567418295 /nfs/dbraw/zinc/41/82/95/567418295.db2.gz OYDDGKLNVSFYMJ-INIZCTEOSA-N 0 0 378.226 3.041 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCO[C@H](COc3ccccc3)C2)c(Br)c1 ZINC000477800905 567419555 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/nfs/dbraw/zinc/51/98/20/567519820.db2.gz QRUYOKPHMAQZBZ-LBPRGKRZSA-N 0 0 386.426 3.330 10 5 GGBERN C[C@@]1(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000594857429 567521158 /nfs/dbraw/zinc/52/11/58/567521158.db2.gz LXWLPSPMUSKKOS-LLVKDONJSA-N 0 0 388.314 3.327 10 5 GGBERN C[C@]1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1(F)F ZINC000594857681 567521405 /nfs/dbraw/zinc/52/14/05/567521405.db2.gz NWHWIAFCANNLFF-NSHDSACASA-N 0 0 388.314 3.327 10 5 GGBERN CC[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000594860331 567522516 /nfs/dbraw/zinc/52/25/16/567522516.db2.gz AYXCCQVRNJTDCG-CYBMUJFWSA-N 0 0 377.260 3.214 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)COc2ccc(Br)cc2)n1 ZINC000594898192 567523779 /nfs/dbraw/zinc/52/37/79/567523779.db2.gz IHWIAASYCDZODJ-UHFFFAOYSA-N 0 0 395.209 3.396 10 5 GGBERN CO[C@H](COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594898351 567524211 /nfs/dbraw/zinc/52/42/11/567524211.db2.gz OHZOWSREJWYOPL-ZUZCIYMTSA-N 0 0 397.225 3.336 10 5 GGBERN CNc1ccc(S(=O)(=O)N(C)Cc2cccc(SC)c2)cc1[N+](=O)[O-] ZINC000594888976 567524289 /nfs/dbraw/zinc/52/42/89/567524289.db2.gz FWFBLWVESIJEHO-UHFFFAOYSA-N 0 0 381.479 3.179 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc2c1OCCO2 ZINC000551668556 567528350 /nfs/dbraw/zinc/52/83/50/567528350.db2.gz PHAFOGUIFUNTLI-UHFFFAOYSA-N 0 0 379.166 3.381 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000551668900 567528364 /nfs/dbraw/zinc/52/83/64/567528364.db2.gz YJOPELIMPQHTBJ-UHFFFAOYSA-N 0 0 390.193 3.494 10 5 GGBERN O=C(Nc1cnc(CC2CC2)nc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000551694997 567529843 /nfs/dbraw/zinc/52/98/43/567529843.db2.gz IWPAAIUEHRKHEC-UHFFFAOYSA-N 0 0 377.198 3.352 10 5 GGBERN CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000551709787 567531522 /nfs/dbraw/zinc/53/15/22/567531522.db2.gz HQOCIMAKERZAAA-UHFFFAOYSA-N 0 0 384.230 3.087 10 5 GGBERN CC(C)CN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000551765223 567534708 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COc1ccc2c(c1)N(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 ZINC000595356044 567557942 /nfs/dbraw/zinc/55/79/42/567557942.db2.gz KJIRVGSNVKIKJQ-UHFFFAOYSA-N 0 0 382.825 3.398 10 5 GGBERN CC1(C)[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1(F)F ZINC000595353035 567558288 /nfs/dbraw/zinc/55/82/88/567558288.db2.gz PPVFDHQHTKIZCX-JTQLQIEISA-N 0 0 388.314 3.183 10 5 GGBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(Br)cc1O ZINC000552106896 567559367 /nfs/dbraw/zinc/55/93/67/567559367.db2.gz UQEPKHWIGDZINM-UHFFFAOYSA-N 0 0 393.237 3.307 10 5 GGBERN Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1[N+](=O)[O-] ZINC000571469541 567565084 /nfs/dbraw/zinc/56/50/84/567565084.db2.gz AWPVWNHQKNAETH-LBPRGKRZSA-N 0 0 383.495 3.066 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439275219 567579200 /nfs/dbraw/zinc/57/92/00/567579200.db2.gz OXZYKDFOBOTKPV-NEPJUHHUSA-N 0 0 383.242 3.246 10 5 GGBERN Cc1cc(C)nc(SCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000552395423 567586749 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567611795 /nfs/dbraw/zinc/61/17/95/567611795.db2.gz SOPFUDFRSHZFPB-OIBJUYFYSA-N 0 0 382.722 3.191 10 5 GGBERN COC(=O)c1c(Cl)c(N2CCSC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596196267 567614287 /nfs/dbraw/zinc/61/42/87/567614287.db2.gz QLYAOAIWKTZUBF-UHFFFAOYSA-N 0 0 386.857 3.137 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](CC)CC(F)(F)F ZINC000596195123 567614787 /nfs/dbraw/zinc/61/47/87/567614787.db2.gz GTDPZKZYLWBKRN-JTQLQIEISA-N 0 0 383.392 3.426 10 5 GGBERN CCC1(CC)CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCS1(=O)=O ZINC000596210265 567615633 /nfs/dbraw/zinc/61/56/33/567615633.db2.gz TWUIKRRIWKMOFJ-UHFFFAOYSA-N 0 0 380.388 3.407 10 5 GGBERN CC(C)(C)c1cccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000506208428 567615984 /nfs/dbraw/zinc/61/59/84/567615984.db2.gz RKNPYVVOYDCXNN-UHFFFAOYSA-N 0 0 384.479 3.311 10 5 GGBERN COc1cc(N2CCS(=O)(=O)c3ccccc3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596200999 567616277 /nfs/dbraw/zinc/61/62/77/567616277.db2.gz UWAZORILYXQVFQ-UHFFFAOYSA-N 0 0 382.825 3.051 10 5 GGBERN O=[N+]([O-])c1cncc(Cl)c1NCc1cc(Cl)ccc1N1CCOCC1 ZINC000596225764 567617360 /nfs/dbraw/zinc/61/73/60/567617360.db2.gz OSAMXWULOIBYBJ-UHFFFAOYSA-N 0 0 383.235 3.167 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1(C(F)(F)F)CC1 ZINC000596229174 567617766 /nfs/dbraw/zinc/61/77/66/567617766.db2.gz FAHKSVLDQAABCX-UHFFFAOYSA-N 0 0 381.376 3.038 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@H]2CCCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000596240984 567618465 /nfs/dbraw/zinc/61/84/65/567618465.db2.gz KASNPBMRAVDKFK-JTQLQIEISA-N 0 0 387.870 3.447 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)CC(F)(F)F ZINC000596270361 567619859 /nfs/dbraw/zinc/61/98/59/567619859.db2.gz FMGKPHLVUQARLA-JTQLQIEISA-N 0 0 383.392 3.284 10 5 GGBERN COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc(Br)c1O ZINC000572229319 567624567 /nfs/dbraw/zinc/62/45/67/567624567.db2.gz XBCGYHNEEZIPHF-UHFFFAOYSA-N 0 0 393.153 3.184 10 5 GGBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000596368616 567627865 /nfs/dbraw/zinc/62/78/65/567627865.db2.gz LKRIWNFPRXDAMG-TUAOUCFPSA-N 0 0 388.262 3.039 10 5 GGBERN COC[C@@H](CSCc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000596391518 567629408 /nfs/dbraw/zinc/62/94/08/567629408.db2.gz CATDOYLJDKDPAP-LBPRGKRZSA-N 0 0 397.234 3.094 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H](O)C(F)(F)C1 ZINC000596427900 567633435 /nfs/dbraw/zinc/63/34/35/567633435.db2.gz CIDLWTSGMBFZLV-LBPRGKRZSA-N 0 0 388.168 3.112 10 5 GGBERN C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000596462187 567634789 /nfs/dbraw/zinc/63/47/89/567634789.db2.gz IVHAXRRPGUMMCR-NXEZZACHSA-N 0 0 380.242 3.359 10 5 GGBERN Cc1cc(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000596465704 567634825 /nfs/dbraw/zinc/63/48/25/567634825.db2.gz MWATWWSULISAKG-NXEZZACHSA-N 0 0 377.260 3.043 10 5 GGBERN Cn1cc(C[C@@H]2CCC[C@@H]2Nc2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000596486797 567635691 /nfs/dbraw/zinc/63/56/91/567635691.db2.gz CJBHVASKMPRIBB-FZMZJTMJSA-N 0 0 380.246 3.309 10 5 GGBERN CS(=O)(=O)c1cccnc1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000553231734 567636497 /nfs/dbraw/zinc/63/64/97/567636497.db2.gz BKBCNAYNHGDRNN-UHFFFAOYSA-N 0 0 376.221 3.312 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2Cc3ccc(C)c(Br)c3C2)n1 ZINC000596549546 567638370 /nfs/dbraw/zinc/63/83/70/567638370.db2.gz XLGMKXAOJFUELO-UHFFFAOYSA-N 0 0 392.209 3.368 10 5 GGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cscn1 ZINC000572423657 567638443 /nfs/dbraw/zinc/63/84/43/567638443.db2.gz GRTZEGWQABGGGI-ZETCQYMHSA-N 0 0 381.357 3.110 10 5 GGBERN Cc1c(Br)c(N2CCO[C@H](CC(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000596559121 567639816 /nfs/dbraw/zinc/63/98/16/567639816.db2.gz WTFNSERVADUNNT-MRVPVSSYSA-N 0 0 384.152 3.218 10 5 GGBERN COC(=O)c1cnc([C@@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)s1 ZINC000596566467 567641702 /nfs/dbraw/zinc/64/17/02/567641702.db2.gz GQYKMICJZQLHDC-SECBINFHSA-N 0 0 382.829 3.270 10 5 GGBERN COC(=O)c1cnc([C@H]2CCCN(c3c(Cl)cncc3[N+](=O)[O-])C2)s1 ZINC000596568959 567641742 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Cc1csc(NC(=O)COc2c(C)cc(Br)cc2[N+](=O)[O-])n1 ZINC000531482063 567661862 /nfs/dbraw/zinc/66/18/62/567661862.db2.gz QOQQSSJDPHKPNT-UHFFFAOYSA-N 0 0 386.227 3.448 10 5 GGBERN Cc1c(NC(=O)N2C[C@@H](C)C(O)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596888376 567662136 /nfs/dbraw/zinc/66/21/36/567662136.db2.gz PQTACSBZYWKAHV-RKDXNWHRSA-N 0 0 386.246 3.146 10 5 GGBERN Cc1c(NC(=O)N2C[C@H](C)[C@@](C)(CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596889842 567662144 /nfs/dbraw/zinc/66/21/44/567662144.db2.gz YGPBUYOLBRDEFG-BJOHPYRUSA-N 0 0 386.246 3.148 10 5 GGBERN Cc1c(NC(=O)N(C)CC2=CCCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000596887737 567662199 /nfs/dbraw/zinc/66/21/99/567662199.db2.gz IGYLHAOCGJULKM-UHFFFAOYSA-N 0 0 384.230 3.476 10 5 GGBERN C[C@@]12COC[C@]1(C)CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000596899075 567662226 /nfs/dbraw/zinc/66/22/26/567662226.db2.gz AVWFJJBWDNSGGY-GASCZTMLSA-N 0 0 384.230 3.248 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@H]3COC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000596887455 567662372 /nfs/dbraw/zinc/66/23/72/567662372.db2.gz CXLUFMNXRRLAFG-GHMZBOCLSA-N 0 0 384.230 3.166 10 5 GGBERN Cc1c(NC(=O)N2C[C@@H](C)[C@@](C)(CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596889844 567662483 /nfs/dbraw/zinc/66/24/83/567662483.db2.gz YGPBUYOLBRDEFG-RFAUZJTJSA-N 0 0 386.246 3.148 10 5 GGBERN Cc1c(NC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596888016 567662526 /nfs/dbraw/zinc/66/25/26/567662526.db2.gz JVMBKDOWXYTZHR-RKDXNWHRSA-N 0 0 384.230 3.355 10 5 GGBERN Cc1c(NC(=O)N2C[C@H](C)[C@](C)(CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596889845 567662583 /nfs/dbraw/zinc/66/25/83/567662583.db2.gz YGPBUYOLBRDEFG-VFZGTOFNSA-N 0 0 386.246 3.148 10 5 GGBERN O=C(NCC(O)(C1CC1)C1CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000596900643 567663668 /nfs/dbraw/zinc/66/36/68/567663668.db2.gz SGLJWYWXCHWQJH-UHFFFAOYSA-N 0 0 384.230 3.030 10 5 GGBERN Cc1nnc(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000596900511 567663742 /nfs/dbraw/zinc/66/37/42/567663742.db2.gz PDPLPRNEAZIIGA-UHFFFAOYSA-N 0 0 386.231 3.181 10 5 GGBERN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000531634829 567669844 /nfs/dbraw/zinc/66/98/44/567669844.db2.gz BLVXRPYVKQIMMW-UHFFFAOYSA-N 0 0 378.226 3.460 10 5 GGBERN Nc1c(C(=O)N2CCc3cccc(Br)c3C2)cc(F)cc1[N+](=O)[O-] ZINC000531794486 567678745 /nfs/dbraw/zinc/67/87/45/567678745.db2.gz QPMOUVSUSLOLRT-UHFFFAOYSA-N 0 0 394.200 3.277 10 5 GGBERN CO[C@@H](C)c1nc(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)cs1 ZINC000597104668 567680765 /nfs/dbraw/zinc/68/07/65/567680765.db2.gz UNAGNRYJVYOBPE-ZETCQYMHSA-N 0 0 385.833 3.316 10 5 GGBERN Nc1c(NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597102340 567680879 /nfs/dbraw/zinc/68/08/79/567680879.db2.gz XFKSYMOLVBYDQV-BONVTDFDSA-N 0 0 386.861 3.007 10 5 GGBERN C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@](C)(C(F)F)O1 ZINC000597092571 567680888 /nfs/dbraw/zinc/68/08/88/567680888.db2.gz OLBILJWSVNRQJB-NXSYQRQQSA-N 0 0 378.763 3.107 10 5 GGBERN C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H](C(F)(F)F)O1 ZINC000597097233 567680916 /nfs/dbraw/zinc/68/09/16/567680916.db2.gz FHFLOXSJMJUOGY-LDWIPMOCSA-N 0 0 382.726 3.014 10 5 GGBERN CC[C@H](COCC(F)(F)F)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092427 567681080 /nfs/dbraw/zinc/68/10/80/567681080.db2.gz KOUYEEREAVDFBB-MRVPVSSYSA-N 0 0 384.742 3.309 10 5 GGBERN Nc1c(NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093838 567681348 /nfs/dbraw/zinc/68/13/48/567681348.db2.gz YUSBTPNBAJHCOV-JTQLQIEISA-N 0 0 385.211 3.159 10 5 GGBERN COC1(c2ccccc2)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000553825012 567689093 /nfs/dbraw/zinc/68/90/93/567689093.db2.gz JDQXFCVWFLQQSW-UHFFFAOYSA-N 0 0 391.221 3.355 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(S(=O)(=O)c1c(Cl)cccc1Cl)CC2 ZINC000460499232 567690611 /nfs/dbraw/zinc/69/06/11/567690611.db2.gz ZPYHPTKILXIFDU-UHFFFAOYSA-N 0 0 388.232 3.044 10 5 GGBERN O=C(Cc1c[nH]c2ncccc12)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000573152130 567692484 /nfs/dbraw/zinc/69/24/84/567692484.db2.gz LEBKHDKEDAIJCU-UHFFFAOYSA-N 0 0 375.182 3.415 10 5 GGBERN Cc1nc2ccc(S(=O)(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2s1 ZINC000460635976 567696280 /nfs/dbraw/zinc/69/62/80/567696280.db2.gz UJGNTLOLHZFZCS-UHFFFAOYSA-N 0 0 375.431 3.264 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)n1 ZINC000507700581 567699562 /nfs/dbraw/zinc/69/95/62/567699562.db2.gz ANLOUDFZNYARLJ-MRVPVSSYSA-N 0 0 385.193 3.204 10 5 GGBERN Cc1c(F)c(Br)ccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000597475307 567700474 /nfs/dbraw/zinc/70/04/74/567700474.db2.gz FSJDRYAAQNIZJX-UHFFFAOYSA-N 0 0 394.200 3.398 10 5 GGBERN Cc1c(NC(=O)CO[C@H](C)c2nccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000553997987 567704957 /nfs/dbraw/zinc/70/49/57/567704957.db2.gz JBAKRVFTAGSJDC-SNVBAGLBSA-N 0 0 397.229 3.116 10 5 GGBERN COCCCOCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000597610579 567707527 /nfs/dbraw/zinc/70/75/27/567707527.db2.gz RNBYDLBADVCIBC-UHFFFAOYSA-N 0 0 375.219 3.047 10 5 GGBERN Cc1c(Br)cncc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000597640220 567708350 /nfs/dbraw/zinc/70/83/50/567708350.db2.gz XOAFGQPIMLYUMK-UHFFFAOYSA-N 0 0 378.226 3.375 10 5 GGBERN O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597617446 567709057 /nfs/dbraw/zinc/70/90/57/567709057.db2.gz OEHRIEZEBBEDGX-FZMZJTMJSA-N 0 0 376.210 3.286 10 5 GGBERN Cc1c(Br)cc(C(=O)N2NC(=O)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000597647936 567709856 /nfs/dbraw/zinc/70/98/56/567709856.db2.gz AKFNPBIBGLWFMU-UHFFFAOYSA-N 0 0 396.241 3.246 10 5 GGBERN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)c2ccc(Br)cn2)c(F)c1 ZINC000507851604 567710780 /nfs/dbraw/zinc/71/07/80/567710780.db2.gz QBAINLXZSYTHSC-UHFFFAOYSA-N 0 0 393.165 3.004 10 5 GGBERN Cc1cc(S(=O)(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(Cl)cc1F ZINC000532374602 567712624 /nfs/dbraw/zinc/71/26/24/567712624.db2.gz OSQWQQYRNCJEGD-UHFFFAOYSA-N 0 0 388.804 3.053 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000597730130 567715124 /nfs/dbraw/zinc/71/51/24/567715124.db2.gz XXCPAEDQVVRMHK-ZDUSSCGKSA-N 0 0 379.214 3.366 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000597749365 567715483 /nfs/dbraw/zinc/71/54/83/567715483.db2.gz XHJLIKDZWOIXPG-INIZCTEOSA-N 0 0 384.219 3.243 10 5 GGBERN C[C@H](NS(=O)(=O)c1cnccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000442915739 567717800 /nfs/dbraw/zinc/71/78/00/567717800.db2.gz SAOLLFOZAKKSEO-VIFPVBQESA-N 0 0 375.328 3.048 10 5 GGBERN Cc1sc(C(=O)N[C@@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000597842730 567719077 /nfs/dbraw/zinc/71/90/77/567719077.db2.gz PASSCPQLFAGUTI-HNNXBMFYSA-N 0 0 399.266 3.365 10 5 GGBERN Cc1sc(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000597842731 567719087 /nfs/dbraw/zinc/71/90/87/567719087.db2.gz PASSCPQLFAGUTI-OAHLLOKOSA-N 0 0 399.266 3.365 10 5 GGBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1[nH]nc2ccc(Br)cc21 ZINC000461273041 567727441 /nfs/dbraw/zinc/72/74/41/567727441.db2.gz RBZVGKAFSJEMNG-UHFFFAOYSA-N 0 0 389.209 3.206 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000597995915 567731205 /nfs/dbraw/zinc/73/12/05/567731205.db2.gz VOUIXJBNPUOKBK-UHFFFAOYSA-N 0 0 381.219 3.259 10 5 GGBERN C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cscn1 ZINC000598014559 567731569 /nfs/dbraw/zinc/73/15/69/567731569.db2.gz INCZTHLGNAPGIO-MRVPVSSYSA-N 0 0 375.328 3.483 10 5 GGBERN COC1(c2ccccc2)CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000573710404 567731670 /nfs/dbraw/zinc/73/16/70/567731670.db2.gz MEOURYBIHGVNBI-UHFFFAOYSA-N 0 0 391.221 3.355 10 5 GGBERN COC(=O)CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000598003124 567731781 /nfs/dbraw/zinc/73/17/81/567731781.db2.gz UMTZCPOTMWLNJR-UHFFFAOYSA-N 0 0 399.241 3.305 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000598000158 567731897 /nfs/dbraw/zinc/73/18/97/567731897.db2.gz ZMBYBUSUMADNIW-UHFFFAOYSA-N 0 0 381.219 3.259 10 5 GGBERN CCOC(=O)C[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000598046157 567735634 /nfs/dbraw/zinc/73/56/34/567735634.db2.gz GBTBMCQFRNGKRQ-SNVBAGLBSA-N 0 0 382.722 3.171 10 5 GGBERN COCC1(C2CCC2)CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598062331 567737615 /nfs/dbraw/zinc/73/76/15/567737615.db2.gz VNZMHWHSFWMPHA-UHFFFAOYSA-N 0 0 383.242 3.246 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(C[C@@H](C)O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000443220820 567741523 /nfs/dbraw/zinc/74/15/23/567741523.db2.gz XGTXQCYFSLWOEM-LLVKDONJSA-N 0 0 390.889 3.261 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000598187031 567744234 /nfs/dbraw/zinc/74/42/34/567744234.db2.gz OQXMVSUSJBYPNB-MRXNPFEDSA-N 0 0 383.242 3.043 10 5 GGBERN Cc1n[nH]c(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000598211005 567746815 /nfs/dbraw/zinc/74/68/15/567746815.db2.gz XDWTXWANKMWGKY-UHFFFAOYSA-N 0 0 393.241 3.142 10 5 GGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C(F)(F)F)CCOCC1 ZINC000461761156 567747268 /nfs/dbraw/zinc/74/72/68/567747268.db2.gz VEVYGFHQRCVFFY-JTQLQIEISA-N 0 0 378.372 3.303 10 5 GGBERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533006796 567747471 /nfs/dbraw/zinc/74/74/71/567747471.db2.gz GSHQWAHFWLIJAC-UWVGGRQHSA-N 0 0 377.260 3.166 10 5 GGBERN C[C@]1(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1(F)F ZINC000598221268 567747945 /nfs/dbraw/zinc/74/79/45/567747945.db2.gz UTQTXFVJZKLECN-ZDUSSCGKSA-N 0 0 377.185 3.451 10 5 GGBERN Cc1nn(C)c(C(=O)Nc2ccc(Br)cc2NC(C)C)c1[N+](=O)[O-] ZINC000598233891 567750643 /nfs/dbraw/zinc/75/06/43/567750643.db2.gz CZMPJEGVCVNLMY-UHFFFAOYSA-N 0 0 396.245 3.472 10 5 GGBERN O=C(Cc1cscc1Br)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000508500558 567750772 /nfs/dbraw/zinc/75/07/72/567750772.db2.gz NLDNJFWZCVLIIT-UHFFFAOYSA-N 0 0 399.270 3.022 10 5 GGBERN Cc1c(Br)c(NCc2c3c(nn2C)CCCC3)ncc1[N+](=O)[O-] ZINC000461862512 567751262 /nfs/dbraw/zinc/75/12/62/567751262.db2.gz ATLDWEDUIVIGKF-UHFFFAOYSA-N 0 0 380.246 3.285 10 5 GGBERN Cn1ncc([N+](=O)[O-])c1C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000598299881 567754350 /nfs/dbraw/zinc/75/43/50/567754350.db2.gz WTVFPJISUWXTIA-UHFFFAOYSA-N 0 0 376.257 3.112 10 5 GGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000598322638 567755834 /nfs/dbraw/zinc/75/58/34/567755834.db2.gz NBTFMMGQSHCXSI-KWBADKCTSA-N 0 0 378.372 3.254 10 5 GGBERN COc1cc(CN2CCCSCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000508637141 567758251 /nfs/dbraw/zinc/75/82/51/567758251.db2.gz KQOUNPXPWMYPPH-UHFFFAOYSA-N 0 0 380.388 3.483 10 5 GGBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ncc(C(F)(F)F)s1 ZINC000554944361 567759198 /nfs/dbraw/zinc/75/91/98/567759198.db2.gz OPSFVJVMANKGHG-UHFFFAOYSA-N 0 0 375.332 3.304 10 5 GGBERN O=C(Nc1nc2ccccc2c(=O)[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000533219500 567759319 /nfs/dbraw/zinc/75/93/19/567759319.db2.gz IBYSGHRBNAQMMU-UHFFFAOYSA-N 0 0 389.165 3.258 10 5 GGBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000598380261 567760368 /nfs/dbraw/zinc/76/03/68/567760368.db2.gz GNDYYSVBFCKETI-CYBMUJFWSA-N 0 0 388.205 3.364 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2ccon2)CC1 ZINC000598399697 567763350 /nfs/dbraw/zinc/76/33/50/567763350.db2.gz QESQGUXWHJOLJM-UHFFFAOYSA-N 0 0 394.225 3.294 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2ccon2)CC1 ZINC000598399682 567763695 /nfs/dbraw/zinc/76/36/95/567763695.db2.gz PYKAGGOFFWJMRL-UHFFFAOYSA-N 0 0 380.198 3.365 10 5 GGBERN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000598452106 567768447 /nfs/dbraw/zinc/76/84/47/567768447.db2.gz HEQQLRZGYGSFNK-CYBMUJFWSA-N 0 0 393.241 3.288 10 5 GGBERN CCc1n[nH]c(C(=O)N2Cc3ccc(C)c(Br)c3C2)c1[N+](=O)[O-] ZINC000598468014 567770073 /nfs/dbraw/zinc/77/00/73/567770073.db2.gz CXSSAWJZQWBODO-UHFFFAOYSA-N 0 0 379.214 3.107 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000598481110 567771596 /nfs/dbraw/zinc/77/15/96/567771596.db2.gz SGWDSYHKDPKDGY-UHFFFAOYSA-N 0 0 392.209 3.096 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598510377 567772390 /nfs/dbraw/zinc/77/23/90/567772390.db2.gz LWUOWZHNPRSNFA-VIFPVBQESA-N 0 0 397.147 3.151 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598510376 567772452 /nfs/dbraw/zinc/77/24/52/567772452.db2.gz LWUOWZHNPRSNFA-SECBINFHSA-N 0 0 397.147 3.151 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598510966 567772743 /nfs/dbraw/zinc/77/27/43/567772743.db2.gz MXNOWTUQBQRIHM-NSHDSACASA-N 0 0 397.147 3.151 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000555204346 567773972 /nfs/dbraw/zinc/77/39/72/567773972.db2.gz YBKVHPZRKIZYQC-UHFFFAOYSA-N 0 0 392.209 3.096 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000443759065 567774605 /nfs/dbraw/zinc/77/46/05/567774605.db2.gz NMYQIGVFFZNESU-YPMHNXCESA-N 0 0 380.388 3.383 10 5 GGBERN CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)[C@@H]1n1cccn1 ZINC000555264475 567777108 /nfs/dbraw/zinc/77/71/08/567777108.db2.gz KHNHXFVCRQJDAP-SUHUHFCYSA-N 0 0 396.245 3.088 10 5 GGBERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC2CC1(C)C2 ZINC000598570319 567777376 /nfs/dbraw/zinc/77/73/76/567777376.db2.gz HVYKMXWYFDQQRR-UHFFFAOYSA-N 0 0 386.189 3.132 10 5 GGBERN COC(=O)c1ccnc(N2CCc3cccc(Br)c3C2)c1[N+](=O)[O-] ZINC000598595665 567778784 /nfs/dbraw/zinc/77/87/84/567778784.db2.gz FDUBVYYYYJGFBD-UHFFFAOYSA-N 0 0 392.209 3.102 10 5 GGBERN Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)c(C)c1[N+](=O)[O-] ZINC000598606391 567778851 /nfs/dbraw/zinc/77/88/51/567778851.db2.gz FTBOVDRXSGRXCC-AWEZNQCLSA-N 0 0 382.463 3.035 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000574472004 567779663 /nfs/dbraw/zinc/77/96/63/567779663.db2.gz ZWMAHOYRAVYOQJ-SNVBAGLBSA-N 0 0 394.225 3.281 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000598628989 567779699 /nfs/dbraw/zinc/77/96/99/567779699.db2.gz WTRWGTSUJGUOQM-AWEZNQCLSA-N 0 0 378.397 3.096 10 5 GGBERN CC(C)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598625084 567780471 /nfs/dbraw/zinc/78/04/71/567780471.db2.gz KSMYOLGEAKFKNY-UHFFFAOYSA-N 0 0 383.857 3.490 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000598628983 567780555 /nfs/dbraw/zinc/78/05/55/567780555.db2.gz WNCOUXIDZPJEKT-OAHLLOKOSA-N 0 0 376.425 3.271 10 5 GGBERN O=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000443961612 567782660 /nfs/dbraw/zinc/78/26/60/567782660.db2.gz RFPJVJPBVWJQLM-UHFFFAOYSA-N 0 0 379.163 3.130 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCCN3c3ccccc32)s1 ZINC000555429000 567784381 /nfs/dbraw/zinc/78/43/81/567784381.db2.gz HGYSDLUYDRMMNR-LBPRGKRZSA-N 0 0 379.463 3.224 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1c1ccc(I)cc1 ZINC000533783427 567786277 /nfs/dbraw/zinc/78/62/77/567786277.db2.gz OBRFRXPPJRIVHH-LBPRGKRZSA-N 0 0 398.204 3.274 10 5 GGBERN O=[N+]([O-])c1ccc(-c2nc(-c3cn4ccc(Br)cc4n3)no2)nc1 ZINC000574610396 567788182 /nfs/dbraw/zinc/78/81/82/567788182.db2.gz GSAPJDAAQLEOHA-UHFFFAOYSA-N 0 0 387.153 3.117 10 5 GGBERN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CC(CC2CC2)C1 ZINC000598781660 567791042 /nfs/dbraw/zinc/79/10/42/567791042.db2.gz ONSDVUCGLVMWPR-UHFFFAOYSA-N 0 0 386.189 3.072 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000533931017 567794130 /nfs/dbraw/zinc/79/41/30/567794130.db2.gz FGOSFTWLVWISOP-UHFFFAOYSA-N 0 0 384.219 3.321 10 5 GGBERN Cc1sc(C(=O)NCCOc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000533969822 567794797 /nfs/dbraw/zinc/79/47/97/567794797.db2.gz SJFOHUWMBNOSMM-UHFFFAOYSA-N 0 0 375.328 3.187 10 5 GGBERN CCc1cc(Br)c(C)nc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000598863497 567794869 /nfs/dbraw/zinc/79/48/69/567794869.db2.gz MRYUTFACVWEGGD-UHFFFAOYSA-N 0 0 382.218 3.092 10 5 GGBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)c2ccc(Br)cc2O1 ZINC000598891080 567798221 /nfs/dbraw/zinc/79/82/21/567798221.db2.gz ICGFVODJLABOKS-SECBINFHSA-N 0 0 380.198 3.124 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)Oc3cc(Br)ccc32)n1 ZINC000598891565 567798264 /nfs/dbraw/zinc/79/82/64/567798264.db2.gz VFESGRDPTMGNGG-VIFPVBQESA-N 0 0 395.213 3.001 10 5 GGBERN C[C@H]1CSCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444224702 567798226 /nfs/dbraw/zinc/79/82/26/567798226.db2.gz KXFSLNZYICCXPE-NSHDSACASA-N 0 0 378.479 3.094 10 5 GGBERN CC(C)c1ncc2c(n1)CCN(c1c(Br)cncc1[N+](=O)[O-])C2 ZINC000598942045 567799238 /nfs/dbraw/zinc/79/92/38/567799238.db2.gz KRCQLHQMXRGKBB-UHFFFAOYSA-N 0 0 378.230 3.228 10 5 GGBERN CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000574830062 567799371 /nfs/dbraw/zinc/79/93/71/567799371.db2.gz FQILUDIWDMXOBV-CQSZACIVSA-N 0 0 398.257 3.477 10 5 GGBERN O=C(NC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1Br ZINC000598949380 567799770 /nfs/dbraw/zinc/79/97/70/567799770.db2.gz AHCKKVHIOZFXAS-NSHDSACASA-N 0 0 376.210 3.212 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCc2cccnc21 ZINC000598951259 567799814 /nfs/dbraw/zinc/79/98/14/567799814.db2.gz QKEAQEPXGCXDNI-ZDUSSCGKSA-N 0 0 390.237 3.141 10 5 GGBERN O=C(NC[C@H]1CCc2cccnc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598950659 567799983 /nfs/dbraw/zinc/79/99/83/567799983.db2.gz MELISYOKMLVJSA-LLVKDONJSA-N 0 0 376.210 3.212 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000598947032 567800073 /nfs/dbraw/zinc/80/00/73/567800073.db2.gz LWDFULYPTZNHGO-UHFFFAOYSA-N 0 0 394.200 3.398 10 5 GGBERN CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(Br)cnc1OC ZINC000599004878 567802573 /nfs/dbraw/zinc/80/25/73/567802573.db2.gz VAEACPDJAGZZEU-UHFFFAOYSA-N 0 0 396.241 3.449 10 5 GGBERN CS(=O)(=O)c1ccc(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c([N+](=O)[O-])c1 ZINC000599122612 567806240 /nfs/dbraw/zinc/80/62/40/567806240.db2.gz DKXKCQUUIXLXED-XOKHGSTOSA-N 0 0 378.837 3.402 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H](n1cccn1)C(F)(F)F ZINC000599117114 567806295 /nfs/dbraw/zinc/80/62/95/567806295.db2.gz MBUCNARFUSFGJN-SECBINFHSA-N 0 0 380.124 3.164 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(SCc2ccccn2)c([N+](=O)[O-])c1 ZINC000599125265 567806344 /nfs/dbraw/zinc/80/63/44/567806344.db2.gz BCECDSNFQUPZDO-UHFFFAOYSA-N 0 0 381.479 3.313 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(S[C@@H]2COC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000599125469 567806588 /nfs/dbraw/zinc/80/65/88/567806588.db2.gz QFMOHHDDBMHVKN-LBPRGKRZSA-N 0 0 388.511 3.285 10 5 GGBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC2(CC2)c2ccc(Br)cc21 ZINC000599140000 567807169 /nfs/dbraw/zinc/80/71/69/567807169.db2.gz OZPIDEPUAWSJRO-UHFFFAOYSA-N 0 0 389.209 3.035 10 5 GGBERN COC(=O)c1c(Cl)c(NC[C@H]2CCCN2CC(F)F)ccc1[N+](=O)[O-] ZINC000599133610 567807251 /nfs/dbraw/zinc/80/72/51/567807251.db2.gz JGHCEZYTXYZMDB-SECBINFHSA-N 0 0 377.775 3.176 10 5 GGBERN COc1ccc([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000599147972 567807612 /nfs/dbraw/zinc/80/76/12/567807612.db2.gz PMWMAGLKBPXKSL-VIFPVBQESA-N 0 0 386.451 3.250 10 5 GGBERN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000599162833 567808005 /nfs/dbraw/zinc/80/80/05/567808005.db2.gz HCIRAIHNHGMKTB-YGRLFVJLSA-N 0 0 387.230 3.128 10 5 GGBERN COc1cc(Br)ccc1[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000599145592 567808067 /nfs/dbraw/zinc/80/80/67/567808067.db2.gz YIJAVFWXMZWEEZ-CYBMUJFWSA-N 0 0 379.214 3.497 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)s1 ZINC000599167764 567808815 /nfs/dbraw/zinc/80/88/15/567808815.db2.gz YHKNXYJYLWHIIM-CUOATXAZSA-N 0 0 384.866 3.463 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000534636772 567815473 /nfs/dbraw/zinc/81/54/73/567815473.db2.gz RTZHXSCMWJVGEY-MRXNPFEDSA-N 0 0 381.841 3.381 10 5 GGBERN O=C(OCc1cccc(F)c1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000048235052 570221644 /nfs/dbraw/zinc/22/16/44/570221644.db2.gz ZRSDMTNTESOBPL-UHFFFAOYSA-N 0 0 378.331 3.067 10 5 GGBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1ncn(-c2ccccc2)n1 ZINC000117109279 570222551 /nfs/dbraw/zinc/22/25/51/570222551.db2.gz CORYJNSFNUBXOF-UHFFFAOYSA-N 0 0 397.416 3.266 10 5 GGBERN CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000006046360 570223002 /nfs/dbraw/zinc/22/30/02/570223002.db2.gz RXFNTIKYRGGMRM-GOSISDBHSA-N 0 0 380.404 3.424 10 5 GGBERN O=C(Cc1ccccc1)NC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000048287862 570228091 /nfs/dbraw/zinc/22/80/91/570228091.db2.gz XSTFRIULIWXQRW-UHFFFAOYSA-N 0 0 390.443 3.471 10 5 GGBERN Cc1nn(CC(=O)OCc2csc(-c3ccc(F)cc3)n2)c(C)c1[N+](=O)[O-] ZINC000006070706 570234025 /nfs/dbraw/zinc/23/40/25/570234025.db2.gz UVTLRYHNYAJWDQ-UHFFFAOYSA-N 0 0 390.396 3.414 10 5 GGBERN COC(=O)c1cc([N+](=O)[O-])ccc1NCCCc1cc2nc(C)cc(C)n2n1 ZINC000048354882 570243161 /nfs/dbraw/zinc/24/31/61/570243161.db2.gz QOBTZJJFBRKAGP-UHFFFAOYSA-N 0 0 383.408 3.086 10 5 GGBERN COc1cc2nc(CN(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC ZINC000049581067 570271135 /nfs/dbraw/zinc/27/11/35/570271135.db2.gz YCRSYFQMOLQUPG-LBPRGKRZSA-N 0 0 398.419 3.042 10 5 GGBERN O=C(CCn1cnc([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000024749087 570289959 /nfs/dbraw/zinc/28/99/59/570289959.db2.gz RXOMYQUCRUDUIQ-UHFFFAOYSA-N 0 0 378.432 3.453 10 5 GGBERN Cc1cc(NC(=O)CNc2ccccc2C(=O)NC2CC2)c([N+](=O)[O-])cc1C ZINC000010755805 570291289 /nfs/dbraw/zinc/29/12/89/570291289.db2.gz WRLQHLYHGJLDKB-UHFFFAOYSA-N 0 0 382.420 3.154 10 5 GGBERN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cn1 ZINC000023443692 570324041 /nfs/dbraw/zinc/32/40/41/570324041.db2.gz ATQDOEYOUALFEN-UHFFFAOYSA-N 0 0 397.412 3.383 10 5 GGBERN Cc1nn(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1[N+](=O)[O-] ZINC000004873894 570352590 /nfs/dbraw/zinc/35/25/90/570352590.db2.gz YYQQBMBLRQUGBK-UHFFFAOYSA-N 0 0 381.776 3.389 10 5 GGBERN O=C(N[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004895457 570358331 /nfs/dbraw/zinc/35/83/31/570358331.db2.gz AYXVELBWGXTTDA-SFHVURJKSA-N 0 0 381.432 3.239 10 5 GGBERN O=c1c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1cccc(F)c1 ZINC000004906075 570362373 /nfs/dbraw/zinc/36/23/73/570362373.db2.gz ZOYYBLYPTFOORX-UHFFFAOYSA-N 0 0 391.358 3.248 10 5 GGBERN O=[N+]([O-])c1ccc([C@H](O)CNC(=S)Nc2ccc(OC(F)F)cc2)cc1 ZINC000006332203 570393764 /nfs/dbraw/zinc/39/37/64/570393764.db2.gz QYJVXRZZKLYMEL-CQSZACIVSA-N 0 0 383.376 3.216 10 5 GGBERN O=[N+]([O-])c1c2nonc2c(N2CCOCC2)cc1Nc1ccc(Cl)cc1 ZINC000005100897 570417366 /nfs/dbraw/zinc/41/73/66/570417366.db2.gz DPYARXDEAAMELH-UHFFFAOYSA-N 0 0 375.772 3.365 10 5 GGBERN Cc1cccc(C(=O)N2N=C(c3cccc([N+](=O)[O-])c3)C[C@@]2(O)C(F)(F)F)c1 ZINC000005101084 570417448 /nfs/dbraw/zinc/41/74/48/570417448.db2.gz VIDHHDJGAOVQHP-QGZVFWFLSA-N 0 0 393.321 3.404 10 5 GGBERN Cc1cccc(C(=O)N2N=C(c3cccc([N+](=O)[O-])c3)C[C@]2(O)C(F)(F)F)c1 ZINC000005101085 570417487 /nfs/dbraw/zinc/41/74/87/570417487.db2.gz VIDHHDJGAOVQHP-KRWDZBQOSA-N 0 0 393.321 3.404 10 5 GGBERN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2ccccc2)=N1 ZINC000005112955 570419668 /nfs/dbraw/zinc/41/96/68/570419668.db2.gz SYEJRBLOZCNSIL-UHFFFAOYSA-N 0 0 387.779 3.042 10 5 GGBERN O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000005139014 570424686 /nfs/dbraw/zinc/42/46/86/570424686.db2.gz RDCSHCQUPRIAIL-UHFFFAOYSA-N 0 0 381.779 3.192 10 5 GGBERN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1cc([N+](=O)[O-])ccc1F ZINC000005139876 570425376 /nfs/dbraw/zinc/42/53/76/570425376.db2.gz KBXNHBUWZZOSDM-UHFFFAOYSA-N 0 0 382.351 3.032 10 5 GGBERN Cc1cc(F)c(NC(=O)NCCc2csc(N3CCCC3)n2)cc1[N+](=O)[O-] ZINC000225851080 570455585 /nfs/dbraw/zinc/45/55/85/570455585.db2.gz RJLREZJVEPOGKI-UHFFFAOYSA-N 0 0 393.444 3.463 10 5 GGBERN COc1cccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1 ZINC000006549254 570472688 /nfs/dbraw/zinc/47/26/88/570472688.db2.gz SWHOVIDYYQYLPR-UHFFFAOYSA-N 0 0 377.422 3.132 10 5 GGBERN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000006611401 570504230 /nfs/dbraw/zinc/50/42/30/570504230.db2.gz XCLQLHCZRPEYJI-GASCZTMLSA-N 0 0 391.468 3.102 10 5 GGBERN COC(=O)c1ccc(NC=C2N=C(C=Cc3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000006626664 570510090 /nfs/dbraw/zinc/51/00/90/570510090.db2.gz YWJZNCJVJVZIFT-DCQDMACXSA-N 0 0 393.355 3.303 10 5 GGBERN CC[C@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1F ZINC000072304151 570514974 /nfs/dbraw/zinc/51/49/74/570514974.db2.gz STIZQJKPICXYHT-WMLDXEAASA-N 0 0 382.413 3.062 10 5 GGBERN CCOC(CNC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1)OCC ZINC000006710091 570546137 /nfs/dbraw/zinc/54/61/37/570546137.db2.gz GQOJJNGWIQVPEI-UHFFFAOYSA-N 0 0 378.432 3.393 10 5 GGBERN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OC(C)=O)cc3)nc21 ZINC000005481178 570609224 /nfs/dbraw/zinc/60/92/24/570609224.db2.gz SRXZXOHCSPQJCN-UHFFFAOYSA-N 0 0 387.373 3.391 10 5 GGBERN O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000006815585 570618102 /nfs/dbraw/zinc/61/81/02/570618102.db2.gz QUGWCBUTJJBQNP-UHFFFAOYSA-N 0 0 389.452 3.145 10 5 GGBERN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(F)cc2F)NC(=O)N1 ZINC000005560103 570637433 /nfs/dbraw/zinc/63/74/33/570637433.db2.gz PRGHLBSRFMFYLM-INIZCTEOSA-N 0 0 388.330 3.140 10 5 GGBERN CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000006899433 570694163 /nfs/dbraw/zinc/69/41/63/570694163.db2.gz BZTUWMDCCYHPHH-CABCVRRESA-N 0 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/nfs/dbraw/zinc/81/05/40/570810540.db2.gz TVTAANJZCZACEJ-UHFFFAOYSA-N 0 0 399.447 3.418 10 5 GGBERN O=c1c2cn[nH]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1F ZINC000004660637 570810638 /nfs/dbraw/zinc/81/06/38/570810638.db2.gz SBFFPFNTIOLLPR-UHFFFAOYSA-N 0 0 397.391 3.448 10 5 GGBERN COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1 ZINC000032797396 570819862 /nfs/dbraw/zinc/81/98/62/570819862.db2.gz GWECAGULDHMXTF-CYBMUJFWSA-N 0 0 398.419 3.169 10 5 GGBERN CC(=O)OCCNc1cc(SCc2ccccc2)c2nonc2c1[N+](=O)[O-] ZINC000004676234 570822428 /nfs/dbraw/zinc/82/24/28/570822428.db2.gz UIVKOCCMBMICTD-UHFFFAOYSA-N 0 0 388.405 3.398 10 5 GGBERN COc1cccc(N2CCC(NC(=O)CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000170598666 570857313 /nfs/dbraw/zinc/85/73/13/570857313.db2.gz QJBGNFUOIOMDNC-UHFFFAOYSA-N 0 0 383.448 3.321 10 5 GGBERN CCOC(=O)N=[S@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000103042052 570874381 /nfs/dbraw/zinc/87/43/81/570874381.db2.gz DOCINWIVBBZBDP-HHHXNRCGSA-N 0 0 395.349 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ZINC000172710553 1426154644 /nfs/dbraw/zinc/15/46/44/1426154644.db2.gz HVSDRVOWPZRUPI-LSDHHAIUSA-N 0 0 387.386 3.325 10 5 GGBERN O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172710557 1426154651 /nfs/dbraw/zinc/15/46/51/1426154651.db2.gz HVSDRVOWPZRUPI-GJZGRUSLSA-N 0 0 387.386 3.325 10 5 GGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000173232362 1426418298 /nfs/dbraw/zinc/41/82/98/1426418298.db2.gz FFFPXGVFSYXTCY-CQSZACIVSA-N 0 0 386.433 3.128 10 5 GGBERN CN1CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc21 ZINC000173944880 1426903067 /nfs/dbraw/zinc/90/30/67/1426903067.db2.gz BJBMFWAEKIQQIP-UHFFFAOYSA-N 0 0 392.209 3.438 10 5 GGBERN CN1CCOc2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc21 ZINC000173965514 1426913646 /nfs/dbraw/zinc/91/36/46/1426913646.db2.gz CHTXCTDXLZEWMH-UHFFFAOYSA-N 0 0 392.209 3.438 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000175290931 1427650144 /nfs/dbraw/zinc/65/01/44/1427650144.db2.gz BOHGVXITXGQCST-AWEZNQCLSA-N 0 0 395.419 3.350 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000175290950 1427650279 /nfs/dbraw/zinc/65/02/79/1427650279.db2.gz BOHGVXITXGQCST-CQSZACIVSA-N 0 0 395.419 3.350 10 5 GGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000175440528 1427755962 /nfs/dbraw/zinc/75/59/62/1427755962.db2.gz DGIXNIXLMZXHQF-LBPRGKRZSA-N 0 0 381.348 3.180 10 5 GGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc(-n2cccn2)cc1 ZINC000175448356 1427760267 /nfs/dbraw/zinc/76/02/67/1427760267.db2.gz AOEHOCOPPSRXES-CQSZACIVSA-N 0 0 379.420 3.338 10 5 GGBERN CN1CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc21 ZINC000182271125 1430440661 /nfs/dbraw/zinc/44/06/61/1430440661.db2.gz HBGXLERNYSRUTE-UHFFFAOYSA-N 0 0 379.319 3.277 10 5 GGBERN O=C1CCc2cc([N+](=O)[O-])c(NCc3cnn(Cc4ccccc4)c3)cc2N1 ZINC000193983109 1433096154 /nfs/dbraw/zinc/09/61/54/1433096154.db2.gz DYNQNSISNUGWAQ-UHFFFAOYSA-N 0 0 377.404 3.336 10 5 GGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000195330750 1433320015 /nfs/dbraw/zinc/32/00/15/1433320015.db2.gz HUJVLRRVJNRLOG-UHFFFAOYSA-N 0 0 383.374 3.465 10 5 GGBERN CCOC(=O)c1cc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000242338940 1433446398 /nfs/dbraw/zinc/44/63/98/1433446398.db2.gz ZDSHFQGGQPPOLA-ACJLOTCBSA-N 0 0 392.358 3.362 10 5 GGBERN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000253394205 1433867026 /nfs/dbraw/zinc/86/70/26/1433867026.db2.gz ALIIUGKTORWBID-VHDGCEQUSA-N 0 0 394.353 3.424 10 5 GGBERN Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc([N+](=O)[O-])c(N)cc2F)n1 ZINC000253405487 1433867211 /nfs/dbraw/zinc/86/72/11/1433867211.db2.gz MZIGOSPNZYGZHB-UHFFFAOYSA-N 0 0 383.383 3.049 10 5 GGBERN CNS(=O)(=O)c1ccc(N2C[C@@H](C)CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000253417646 1433867248 /nfs/dbraw/zinc/86/72/48/1433867248.db2.gz DDRQXDDAECXLIS-WMLDXEAASA-N 0 0 389.477 3.481 10 5 GGBERN Cc1nn(CCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(C)c1[N+](=O)[O-] ZINC000263640331 1434014238 /nfs/dbraw/zinc/01/42/38/1434014238.db2.gz AETJNINSICUFFL-UHFFFAOYSA-N 0 0 386.408 3.478 10 5 GGBERN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1CC(c2ccccc2)C1 ZINC000263977004 1434056618 /nfs/dbraw/zinc/05/66/18/1434056618.db2.gz DRTDKQICYBIIMD-UHFFFAOYSA-N 0 0 395.415 3.345 10 5 GGBERN COc1cc(N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000266039658 1434298881 /nfs/dbraw/zinc/29/88/81/1434298881.db2.gz BCRIZSIHVMYXJE-UHFFFAOYSA-N 0 0 392.433 3.376 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000266065138 1434300673 /nfs/dbraw/zinc/30/06/73/1434300673.db2.gz CYOXRMRHUVSHLM-AWEZNQCLSA-N 0 0 377.441 3.280 10 5 GGBERN C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000272347887 1434889374 /nfs/dbraw/zinc/88/93/74/1434889374.db2.gz COCUMPLXNGKLBX-SUMWQHHRSA-N 0 0 391.859 3.280 10 5 GGBERN Cc1ccc(N(C)C2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)nn1 ZINC000278196090 1435368506 /nfs/dbraw/zinc/36/85/06/1435368506.db2.gz DVWKFYNHCDYEIW-UHFFFAOYSA-N 0 0 396.373 3.212 10 5 GGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCCN(Cc2cscn2)CC1 ZINC000278201915 1435368949 /nfs/dbraw/zinc/36/89/49/1435368949.db2.gz FBONXRBHGRLQEB-UHFFFAOYSA-N 0 0 387.387 3.177 10 5 GGBERN O=C(Nc1ccccc1)C1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280920637 1435741953 /nfs/dbraw/zinc/74/19/53/1435741953.db2.gz GAZRSGPGODAQHU-UHFFFAOYSA-N 0 0 393.403 3.099 10 5 GGBERN O=[N+]([O-])c1ccc2oc(CN[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)nc2c1 ZINC001308037758 1126162526 /nfs/dbraw/zinc/16/25/26/1126162526.db2.gz GCUWMEAWBNFEFC-PBHICJAKSA-N 0 0 395.337 3.360 10 5 GGBERN O=[N+]([O-])c1cc(F)c(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(F)c1 ZINC001308038516 1126162719 /nfs/dbraw/zinc/16/27/19/1126162719.db2.gz MKAFXZVXEHBZIP-JKSUJKDBSA-N 0 0 390.308 3.497 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001654629395 1126253960 /nfs/dbraw/zinc/25/39/60/1126253960.db2.gz DEXVNGSKWWVMNJ-WBVHZDCISA-N 0 0 384.354 3.228 10 5 GGBERN O=[N+]([O-])c1ccc(N2N=N[C@H]3[C@@H]4C[C@@H]([C@@H]5C=CC[C@H]45)[C@@]32N2CCOCC2)cc1 ZINC000215753120 222572989 /nfs/dbraw/zinc/57/29/89/222572989.db2.gz YXPBMFDBEUUTDY-XGXHKTLJSA-N 0 0 381.436 3.021 10 5 GGBERN Cc1ccn2c(c1)nnc2NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000515542057 532367285 /nfs/dbraw/zinc/36/72/85/532367285.db2.gz YDCAAUISSQXFLO-UHFFFAOYSA-N 0 0 382.199 3.022 10 5 GGBERN O=C(NN1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000001047333 212209649 /nfs/dbraw/zinc/20/96/49/212209649.db2.gz NMFYFUAEKJWAEZ-UHFFFAOYSA-N 0 0 377.784 3.018 10 5 GGBERN CC(C)(C)c1ccc(NC(=O)NC[C@@H](O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001033886 212207618 /nfs/dbraw/zinc/20/76/18/212207618.db2.gz RCLOWKHWFMEMNL-QGZVFWFLSA-N 0 0 387.436 3.454 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CCc1noc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000001029951 212207042 /nfs/dbraw/zinc/20/70/42/212207042.db2.gz MCBIMTLZTVUXON-UHFFFAOYSA-N 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ZINC000003017417 220596961 /nfs/dbraw/zinc/59/69/61/220596961.db2.gz CPHFDLJQJDPXKZ-UHFFFAOYSA-N 0 0 394.424 3.190 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N=C(Nc2ccccc2)S1 ZINC000004199214 220693185 /nfs/dbraw/zinc/69/31/85/220693185.db2.gz RPATWCOFOVIJPJ-HNNXBMFYSA-N 0 0 384.417 3.342 10 5 GGBERN CCOC(=O)c1c(NC(=O)c2c(C)noc2C)c2cc([N+](=O)[O-])ccc2n1C ZINC000004307622 220704159 /nfs/dbraw/zinc/70/41/59/220704159.db2.gz XWHFWALMPDCIJW-UHFFFAOYSA-N 0 0 386.364 3.120 10 5 GGBERN COC(=O)c1ccc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000004671582 220744416 /nfs/dbraw/zinc/74/44/16/220744416.db2.gz BBTRLXYJZWAPTM-YRGRVCCFSA-N 0 0 380.466 3.414 10 5 GGBERN O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1NCc1ccccc1Cl ZINC000004923560 220792771 /nfs/dbraw/zinc/79/27/71/220792771.db2.gz KVHZLJYEJLOCMK-UHFFFAOYSA-N 0 0 380.191 3.333 10 5 GGBERN CCCCn1c(N)c(-c2nc3ccccc3o2)c2c1c(=O)n(CC)nc2[N+](=O)[O-] ZINC000005415335 220866097 /nfs/dbraw/zinc/86/60/97/220866097.db2.gz LOEMXDNVSCLTDT-UHFFFAOYSA-N 0 0 396.407 3.317 10 5 aggregator GGBERN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000005602986 220887298 /nfs/dbraw/zinc/88/72/98/220887298.db2.gz HNJWAINKFARHHX-UHFFFAOYSA-N 0 0 395.419 3.397 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000006583877 220943087 /nfs/dbraw/zinc/94/30/87/220943087.db2.gz MXQCLQSRTBTQRT-UHFFFAOYSA-N 0 0 390.421 3.023 10 5 GGBERN C[C@@H]1CCCN(c2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)cc2[N+](=O)[O-])C1 ZINC000006657417 220947589 /nfs/dbraw/zinc/94/75/89/220947589.db2.gz DNWOAARLKRQULP-CYBMUJFWSA-N 0 0 379.420 3.382 10 5 GGBERN CC(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000006822466 220967875 /nfs/dbraw/zinc/96/78/75/220967875.db2.gz ULOAPUMIOAMKFR-LSDHHAIUSA-N 0 0 381.498 3.298 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000007306111 220993490 /nfs/dbraw/zinc/99/34/90/220993490.db2.gz FDUDFXFWLMQDHK-SNVBAGLBSA-N 0 0 385.239 3.397 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000007079764 220986066 /nfs/dbraw/zinc/98/60/66/220986066.db2.gz YAOPRAXFWRGOIE-GOSISDBHSA-N 0 0 384.388 3.124 10 5 GGBERN CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000007813604 221013737 /nfs/dbraw/zinc/01/37/37/221013737.db2.gz IOFQNYZGKUHQET-SNVBAGLBSA-N 0 0 395.462 3.276 10 5 GGBERN CCOC(=O)Cc1csc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000007813603 221013883 /nfs/dbraw/zinc/01/38/83/221013883.db2.gz IOFQNYZGKUHQET-JTQLQIEISA-N 0 0 395.462 3.276 10 5 GGBERN CCOc1ccccc1C(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C ZINC000007509421 221000409 /nfs/dbraw/zinc/00/04/09/221000409.db2.gz XDOKQFBWPCICAF-UHFFFAOYSA-N 0 0 388.376 3.106 10 5 GGBERN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008058830 221025140 /nfs/dbraw/zinc/02/51/40/221025140.db2.gz KDVDAUBAZBWTSC-QGZVFWFLSA-N 0 0 392.433 3.138 10 5 GGBERN CN(Cc1cccc(F)c1)c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000007984872 221018795 /nfs/dbraw/zinc/01/87/95/221018795.db2.gz ZEEZCHVRGAVBSM-UHFFFAOYSA-N 0 0 395.456 3.447 10 5 GGBERN COc1ccccc1NC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008922222 221064030 /nfs/dbraw/zinc/06/40/30/221064030.db2.gz UALJZSROVWDKEP-GOSISDBHSA-N 0 0 396.403 3.212 10 5 GGBERN Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000008408509 221041178 /nfs/dbraw/zinc/04/11/78/221041178.db2.gz YYVLOPXQIDDQEU-ZDUSSCGKSA-N 0 0 385.372 3.411 10 5 GGBERN CC(=O)OCCCNc1cc(SCc2ccco2)c2nonc2c1[N+](=O)[O-] ZINC000008683040 221049467 /nfs/dbraw/zinc/04/94/67/221049467.db2.gz QLVNLVGPQMNKFW-UHFFFAOYSA-N 0 0 392.393 3.381 10 5 GGBERN CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000008709428 221050591 /nfs/dbraw/zinc/05/05/91/221050591.db2.gz KGNWMKOOFAIPGL-UHFFFAOYSA-N 0 0 393.827 3.495 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(CC2CCCC2)[nH]1 ZINC000008752502 221055666 /nfs/dbraw/zinc/05/56/66/221055666.db2.gz KURWLSNAGDWWBZ-UHFFFAOYSA-N 0 0 375.454 3.485 10 5 GGBERN CCn1c(Cn2cccn2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000010342128 221100897 /nfs/dbraw/zinc/10/08/97/221100897.db2.gz DXKMYIJRXUKEKC-UHFFFAOYSA-N 0 0 390.403 3.462 10 5 GGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000011001947 221109860 /nfs/dbraw/zinc/10/98/60/221109860.db2.gz CXMCSVXCGCUJPD-FMQWLBJXSA-N 0 0 379.416 3.485 10 5 GGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000011001955 221109909 /nfs/dbraw/zinc/10/99/09/221109909.db2.gz CXMCSVXCGCUJPD-FLVLSHQESA-N 0 0 379.416 3.485 10 5 GGBERN C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N(C)C ZINC000010537910 221105563 /nfs/dbraw/zinc/10/55/63/221105563.db2.gz MVZVDWOLXFUMJM-CYBMUJFWSA-N 0 0 397.460 3.411 10 5 GGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)c1ccc(F)cc1 ZINC000010216912 221098372 /nfs/dbraw/zinc/09/83/72/221098372.db2.gz FMGLAPZTXWCLSD-SNVBAGLBSA-N 0 0 387.396 3.494 10 5 GGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)c1ccc(F)cc1 ZINC000010216909 221098705 /nfs/dbraw/zinc/09/87/05/221098705.db2.gz FMGLAPZTXWCLSD-JTQLQIEISA-N 0 0 387.396 3.494 10 5 GGBERN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1ccc(F)c(F)c1 ZINC000010320970 221099838 /nfs/dbraw/zinc/09/98/38/221099838.db2.gz NXZMFYNYENPAGR-VIFPVBQESA-N 0 0 393.298 3.072 10 5 GGBERN CNc1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000011082900 221110785 /nfs/dbraw/zinc/11/07/85/221110785.db2.gz YMAZFARONFOMGT-UHFFFAOYSA-N 0 0 379.420 3.154 10 5 GGBERN CN(C)c1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000011082895 221110958 /nfs/dbraw/zinc/11/09/58/221110958.db2.gz WFGCKEYJXQZMIB-UHFFFAOYSA-N 0 0 393.447 3.178 10 5 GGBERN COc1ccc(OC[C@@H](O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011148930 221111266 /nfs/dbraw/zinc/11/12/66/221111266.db2.gz YEUKQCHGMLTGHT-HNNXBMFYSA-N 0 0 380.828 3.129 10 5 GGBERN Cc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n(C[C@@H]2CCCO2)c1C ZINC000012519955 221201506 /nfs/dbraw/zinc/20/15/06/221201506.db2.gz HSANTVYPXYQJQQ-INIZCTEOSA-N 0 0 390.465 3.318 10 5 GGBERN CC1CCN(S(=O)(=O)c2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)CC1 ZINC000012557735 221207265 /nfs/dbraw/zinc/20/72/65/221207265.db2.gz DKOPYMVGOVPWJU-OAHLLOKOSA-N 0 0 381.498 3.394 10 5 GGBERN CN(Cc1ccccc1N1CCCCC1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000012594829 221212443 /nfs/dbraw/zinc/21/24/43/221212443.db2.gz ARHIATUKCTWNHX-UHFFFAOYSA-N 0 0 393.447 3.229 10 5 GGBERN Cc1cc(NC(=O)CNc2ccccc2N2CCCC2=O)c([N+](=O)[O-])cc1C ZINC000012609554 221214330 /nfs/dbraw/zinc/21/43/30/221214330.db2.gz FNEDTASLKRJJMF-UHFFFAOYSA-N 0 0 382.420 3.389 10 5 GGBERN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1 ZINC000012633403 221216502 /nfs/dbraw/zinc/21/65/02/221216502.db2.gz MOROIDHJWBCROW-UHFFFAOYSA-N 0 0 387.392 3.273 10 5 GGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nnn(-c2ccccc2)c1=S ZINC000012745023 221223278 /nfs/dbraw/zinc/22/32/78/221223278.db2.gz CKNAUAGAQYCGSX-UHFFFAOYSA-N 0 0 390.856 3.449 10 5 GGBERN CCn1c2ccccc2n(CCC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1=O ZINC000012767535 221229450 /nfs/dbraw/zinc/22/94/50/221229450.db2.gz GCKGWFBKCITYHP-OAHLLOKOSA-N 0 0 396.447 3.341 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000012781017 221230665 /nfs/dbraw/zinc/23/06/65/221230665.db2.gz QDFPPOQZQGQZEH-CYBMUJFWSA-N 0 0 392.415 3.084 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000012792289 221232482 /nfs/dbraw/zinc/23/24/82/221232482.db2.gz MQRRUUZTHVIEIV-CQSZACIVSA-N 0 0 394.431 3.374 10 5 GGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012906187 221243643 /nfs/dbraw/zinc/24/36/43/221243643.db2.gz MGLHFBYIEYMROF-RTGRKSDTSA-N 0 0 379.416 3.485 10 5 GGBERN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000012912547 221244839 /nfs/dbraw/zinc/24/48/39/221244839.db2.gz AQVPTCLHTBGUGX-KPKJPENVSA-N 0 0 379.416 3.159 10 5 GGBERN Cc1c2cnn(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(=O)c2c(C)n1C ZINC000012883954 221241722 /nfs/dbraw/zinc/24/17/22/221241722.db2.gz CUIUSJGCRCFCPH-UHFFFAOYSA-N 0 0 389.843 3.003 10 5 GGBERN C[C@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012895568 221243382 /nfs/dbraw/zinc/24/33/82/221243382.db2.gz ZGXPNTGTLIDUHA-LBPRGKRZSA-N 0 0 388.351 3.267 10 5 GGBERN CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000012925490 221246734 /nfs/dbraw/zinc/24/67/34/221246734.db2.gz XEKOYZBVJCWISI-HNNXBMFYSA-N 0 0 387.461 3.231 10 5 GGBERN Cc1cccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000012924851 221247471 /nfs/dbraw/zinc/24/74/71/221247471.db2.gz WURQARVMELSTNV-ZDUSSCGKSA-N 0 0 376.434 3.140 10 5 GGBERN O=C(CCCOc1ccc(F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000012932627 221248059 /nfs/dbraw/zinc/24/80/59/221248059.db2.gz MYZTYPLPSMIOPU-UHFFFAOYSA-N 0 0 376.340 3.303 10 5 GGBERN COc1cccc(N2C[C@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000012987385 221253342 /nfs/dbraw/zinc/25/33/42/221253342.db2.gz FMDTYMGOYXEROZ-GDBMZVCRSA-N 0 0 397.431 3.176 10 5 GGBERN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000012994549 221253889 /nfs/dbraw/zinc/25/38/89/221253889.db2.gz NFPQKKFLVJQAPV-UHFFFAOYSA-N 0 0 394.431 3.435 10 5 GGBERN O=[N+]([O-])c1cccnc1SC(=S)N1CCN(c2ccc(F)cc2)CC1 ZINC000013575957 221274033 /nfs/dbraw/zinc/27/40/33/221274033.db2.gz USLKSSCFJDBTIG-UHFFFAOYSA-N 0 0 378.454 3.328 10 5 GGBERN O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000014015128 221295808 /nfs/dbraw/zinc/29/58/08/221295808.db2.gz LSKXDJCKIJECLE-UHFFFAOYSA-N 0 0 379.372 3.469 10 5 GGBERN Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000014093928 221298750 /nfs/dbraw/zinc/29/87/50/221298750.db2.gz JVFUAKZWNVWHAS-INIZCTEOSA-N 0 0 383.429 3.490 10 5 GGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)c(F)c1 ZINC000014574972 221312195 /nfs/dbraw/zinc/31/21/95/221312195.db2.gz FQBYBNTUJMSTOA-GFCCVEGCSA-N 0 0 391.374 3.201 10 5 GGBERN Cc1ccc(C(=O)CCC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C ZINC000016550820 221365016 /nfs/dbraw/zinc/36/50/16/221365016.db2.gz UYUGVXWWSXJYRW-UHFFFAOYSA-N 0 0 384.388 3.017 10 5 GGBERN CCNc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000016780947 221370279 /nfs/dbraw/zinc/37/02/79/221370279.db2.gz VVBJYNRIDAMIJA-UHFFFAOYSA-N 0 0 379.420 3.485 10 5 GGBERN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000048290842 132431664 /nfs/dbraw/zinc/43/16/64/132431664.db2.gz ADNMDZYTDBFPDC-UHFFFAOYSA-N 0 0 397.431 3.089 10 5 GGBERN Cc1cc(N2CCN(C(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc(C(C)C)n1 ZINC000024236872 221612230 /nfs/dbraw/zinc/61/22/30/221612230.db2.gz BWTCXKAOMXBZRV-UHFFFAOYSA-N 0 0 384.440 3.171 10 5 GGBERN O=C(NCCc1ccccc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024481669 221615256 /nfs/dbraw/zinc/61/52/56/221615256.db2.gz SULXZCQLNYMCJS-FPOVZHCZSA-N 0 0 379.460 3.485 10 5 GGBERN Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c12 ZINC000024924765 221620215 /nfs/dbraw/zinc/62/02/15/221620215.db2.gz ZCUBPBWWNLYGTI-UHFFFAOYSA-N 0 0 396.451 3.150 10 5 GGBERN C[C@@H](C1CC1)N(C)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000024982930 221622999 /nfs/dbraw/zinc/62/29/99/221622999.db2.gz SWFAWIQSWSQIQC-AWEZNQCLSA-N 0 0 381.498 3.250 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025835546 221633479 /nfs/dbraw/zinc/63/34/79/221633479.db2.gz FCAKQCQIWFAVDJ-HOCLYGCPSA-N 0 0 385.420 3.260 10 5 GGBERN Cc1ccc2c(c1)C(=O)N(CCC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)C2=O ZINC000027917783 221662697 /nfs/dbraw/zinc/66/26/97/221662697.db2.gz YOIRAKZIXGYBTR-ZDUSSCGKSA-N 0 0 382.372 3.194 10 5 GGBERN CC(C)c1ccc(C(=O)N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cc1 ZINC000029525840 221696185 /nfs/dbraw/zinc/69/61/85/221696185.db2.gz AKBHFHUKWDRZPW-UHFFFAOYSA-N 0 0 399.476 3.390 10 5 GGBERN CCn1c2nnc(COc3c(C)ccc([N+](=O)[O-])c3C)n2c2ccccc2c1=O ZINC000029751129 221696790 /nfs/dbraw/zinc/69/67/90/221696790.db2.gz FFQZCYUWRAKKAT-UHFFFAOYSA-N 0 0 393.403 3.168 10 5 GGBERN O=[N+]([O-])c1ccc(N2N=N[C@H]3[C@@H]4C[C@@H]([C@H]5C=CC[C@@H]54)[C@@]32N2CCOCC2)cc1 ZINC000035588674 221830498 /nfs/dbraw/zinc/83/04/98/221830498.db2.gz YXPBMFDBEUUTDY-MJUPKGCFSA-N 0 0 381.436 3.021 10 5 GGBERN O=C(c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)N1CCCCC1 ZINC000036047441 221839258 /nfs/dbraw/zinc/83/92/58/221839258.db2.gz PRWSSXWBDCTTKZ-UHFFFAOYSA-N 0 0 377.404 3.469 10 5 GGBERN O=C(CCc1nc2ccccc2[nH]c1=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000040839451 221931181 /nfs/dbraw/zinc/93/11/81/221931181.db2.gz PDEGIYZFEAKUOR-UHFFFAOYSA-N 0 0 395.400 3.012 10 5 GGBERN COc1cccc(C(=O)N2CCCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000057142269 222030325 /nfs/dbraw/zinc/03/03/25/222030325.db2.gz OCNCTOUCZULPSZ-UHFFFAOYSA-N 0 0 397.431 3.159 10 5 GGBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000050936163 222004184 /nfs/dbraw/zinc/00/41/84/222004184.db2.gz UFRNCAZASKFTNP-MRXNPFEDSA-N 0 0 376.415 3.329 10 5 GGBERN O=C1NC2(CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)N=C1c1ccc(Cl)cc1 ZINC000064963727 222090206 /nfs/dbraw/zinc/09/02/06/222090206.db2.gz AOCITCIKFNGMHI-UHFFFAOYSA-N 0 0 398.850 3.159 10 5 GGBERN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@@H]1CC1[N+](=O)[O-] ZINC000065550093 222132900 /nfs/dbraw/zinc/13/29/00/222132900.db2.gz AUOHDGYPOJVBSW-CHWSQXEVSA-N 0 0 378.182 3.240 10 5 GGBERN COC(=O)[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1F ZINC000069387049 222173113 /nfs/dbraw/zinc/17/31/13/222173113.db2.gz LGDVBRRADIJBKX-KRWDZBQOSA-N 0 0 398.749 3.345 10 5 GGBERN O=[N+]([O-])c1cccc(-c2noc(CN(Cc3cccnc3)C[C@H]3CCCO3)n2)c1 ZINC000069742161 222174117 /nfs/dbraw/zinc/17/41/17/222174117.db2.gz FAUZSOGRAVUQIL-GOSISDBHSA-N 0 0 395.419 3.221 10 5 GGBERN CC(C)(C)OC(=O)N1CC[C@H](C[S@](=O)c2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095084387 222330546 /nfs/dbraw/zinc/33/05/46/222330546.db2.gz XZRCGLJVYPVMNE-YBOJIHHZSA-N 0 0 395.437 3.101 10 5 GGBERN CC(C)(C)OC(=O)N1CCC[C@@H]1C[S@](=O)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095086103 222330807 /nfs/dbraw/zinc/33/08/07/222330807.db2.gz YKSZNKPZPSZJJA-KHXSAUHESA-N 0 0 395.437 3.243 10 5 GGBERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095087353 222330838 /nfs/dbraw/zinc/33/08/38/222330838.db2.gz BRSMCASDYWFELV-CYBMUJFWSA-N 0 0 375.429 3.355 10 5 GGBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC1(C)CCC1 ZINC000079022532 222300893 /nfs/dbraw/zinc/30/08/93/222300893.db2.gz NFMCJJJMRJAPIZ-OAHLLOKOSA-N 0 0 381.860 3.309 10 5 GGBERN O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)c1 ZINC000101070155 222465916 /nfs/dbraw/zinc/46/59/16/222465916.db2.gz ASPNLSRWCZUFPM-OAHLLOKOSA-N 0 0 399.208 3.400 10 5 GGBERN O=C(Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1)NCc1cccnc1 ZINC000034675880 534699575 /nfs/dbraw/zinc/69/95/75/534699575.db2.gz DILVDNQWAXOGOD-UHFFFAOYSA-N 0 0 376.416 3.461 10 5 GGBERN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000095087509 534889861 /nfs/dbraw/zinc/88/98/61/534889861.db2.gz OKZKJHDNGKQACQ-ZDUSSCGKSA-N 0 0 387.440 3.279 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114741618 564181212 /nfs/dbraw/zinc/18/12/12/564181212.db2.gz CBJFIYSBIHHKPO-JTQLQIEISA-N 0 0 387.870 3.273 10 5 GGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114741684 564181446 /nfs/dbraw/zinc/18/14/46/564181446.db2.gz OKHJYXSPXKSSOT-JTQLQIEISA-N 0 0 387.870 3.273 10 5 GGBERN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1 ZINC000003262223 564194062 /nfs/dbraw/zinc/19/40/62/564194062.db2.gz CMQPGTJBEJVDNE-UHFFFAOYSA-N 0 0 393.193 3.082 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)s1 ZINC000115588763 564196510 /nfs/dbraw/zinc/19/65/10/564196510.db2.gz HMFQPKPORGSLRT-UHFFFAOYSA-N 0 0 386.426 3.028 10 5 GGBERN COc1ccc(CCNC(=O)CSc2ccsc2[N+](=O)[O-])c(OC)c1 ZINC000005035957 564211322 /nfs/dbraw/zinc/21/13/22/564211322.db2.gz YNAXYFYEHPXECK-UHFFFAOYSA-N 0 0 382.463 3.125 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c1C ZINC000005030329 564211625 /nfs/dbraw/zinc/21/16/25/564211625.db2.gz BINIFBWJUPCSIS-AWEZNQCLSA-N 0 0 375.208 3.277 10 5 GGBERN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006883290 564228880 /nfs/dbraw/zinc/22/88/80/564228880.db2.gz YZGGKCTZSPBLQR-UHFFFAOYSA-N 0 0 375.690 3.067 10 5 GGBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCc2cccc(Br)c2C1 ZINC000118280638 564237659 /nfs/dbraw/zinc/23/76/59/564237659.db2.gz HIBNNPJZEZUMEJ-UHFFFAOYSA-N 0 0 391.221 3.321 10 5 GGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2cccc(Br)c2C1 ZINC000118281058 564237899 /nfs/dbraw/zinc/23/78/99/564237899.db2.gz RTVSARLUZXKBCI-UHFFFAOYSA-N 0 0 375.222 3.485 10 5 GGBERN O=C(CN1CCc2cccc(Br)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000118410955 564239669 /nfs/dbraw/zinc/23/96/69/564239669.db2.gz NVOJYPMFLAMGNN-UHFFFAOYSA-N 0 0 390.237 3.354 10 5 GGBERN O=C(c1csc(Br)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118689902 564244214 /nfs/dbraw/zinc/24/42/14/564244214.db2.gz QZWRYDXAVZHXOR-SNVBAGLBSA-N 0 0 397.254 3.140 10 5 GGBERN CNS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000008149331 564245966 /nfs/dbraw/zinc/24/59/66/564245966.db2.gz KZCGRCMKBKRPAE-UHFFFAOYSA-N 0 0 390.248 3.422 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCOc2ccccc21 ZINC000119257301 564262168 /nfs/dbraw/zinc/26/21/68/564262168.db2.gz LQBCVRLTHJTBCA-UHFFFAOYSA-N 0 0 377.194 3.325 10 5 GGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000119620361 564280321 /nfs/dbraw/zinc/28/03/21/564280321.db2.gz FPOPAKDBDZENPP-LLVKDONJSA-N 0 0 390.193 3.422 10 5 GGBERN CCOc1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cc1[N+](=O)[O-] ZINC000119788151 564288747 /nfs/dbraw/zinc/28/87/47/564288747.db2.gz FXIBVLCBAPKVLR-UHFFFAOYSA-N 0 0 382.170 3.109 10 5 GGBERN Cc1nc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)s2)cs1 ZINC000015616267 564289018 /nfs/dbraw/zinc/28/90/18/564289018.db2.gz HCZWTGSRGZPPPW-UHFFFAOYSA-N 0 0 376.419 3.119 10 5 GGBERN CCn1c(Sc2cc(C)c([N+](=O)[O-])cc2Cl)nnc1N1CCOCC1 ZINC000024828402 564333425 /nfs/dbraw/zinc/33/34/25/564333425.db2.gz KRFKPMUURYSATH-UHFFFAOYSA-N 0 0 383.861 3.156 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000024864448 564333430 /nfs/dbraw/zinc/33/34/30/564333430.db2.gz WNGYTFJMTLCCBD-NSHDSACASA-N 0 0 393.241 3.384 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121136224 564355237 /nfs/dbraw/zinc/35/52/37/564355237.db2.gz SLKVRCTYZGQRQG-BDJLRTHQSA-N 0 0 383.242 3.125 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2nccs2)C1 ZINC000121194079 564359205 /nfs/dbraw/zinc/35/92/05/564359205.db2.gz KPUDVHSFBIJSGO-GFCCVEGCSA-N 0 0 398.238 3.028 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)c1C ZINC000121573354 564375203 /nfs/dbraw/zinc/37/52/03/564375203.db2.gz OILWNCSXPUSKOS-HNNXBMFYSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)c1C ZINC000121573513 564375487 /nfs/dbraw/zinc/37/54/87/564375487.db2.gz OILWNCSXPUSKOS-OAHLLOKOSA-N 0 0 382.463 3.035 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000030495591 564381189 /nfs/dbraw/zinc/38/11/89/564381189.db2.gz IXZYCXMUALJBES-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(Cn2cccn2)CC1 ZINC000121794086 564387499 /nfs/dbraw/zinc/38/74/99/564387499.db2.gz OMLIEVXIKLSWOJ-UHFFFAOYSA-N 0 0 393.241 3.106 10 5 GGBERN CSc1ccccc1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000031278514 564388538 /nfs/dbraw/zinc/38/85/38/564388538.db2.gz XSWDSRDPMAMLCG-UHFFFAOYSA-N 0 0 379.463 3.397 10 5 GGBERN Cc1sc(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000032005010 564395859 /nfs/dbraw/zinc/39/58/59/564395859.db2.gz XZNVBILFIWLADQ-UHFFFAOYSA-N 0 0 389.842 3.242 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H]2CCCC[C@H]21 ZINC000122443999 564414028 /nfs/dbraw/zinc/41/40/28/564414028.db2.gz WXLNQLBXNPXLLM-CABCVRRESA-N 0 0 383.242 3.070 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000122689250 564424188 /nfs/dbraw/zinc/42/41/88/564424188.db2.gz PZMDJHXEXMTEJZ-CQSZACIVSA-N 0 0 379.214 3.448 10 5 GGBERN COc1ccccc1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000122819069 564428543 /nfs/dbraw/zinc/42/85/43/564428543.db2.gz PFYYDZLPNKHACB-UHFFFAOYSA-N 0 0 381.182 3.383 10 5 GGBERN CN(C(=O)c1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000042294266 564444681 /nfs/dbraw/zinc/44/46/81/564444681.db2.gz CMYJCSSYFXHBFG-UHFFFAOYSA-N 0 0 382.157 3.476 10 5 GGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Br)ccn1 ZINC000123486469 564450512 /nfs/dbraw/zinc/45/05/12/564450512.db2.gz DMXQSPPWTOYZQQ-UHFFFAOYSA-N 0 0 375.182 3.415 10 5 GGBERN Cc1sc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000043091275 564453958 /nfs/dbraw/zinc/45/39/58/564453958.db2.gz XNYAVHORKPIRDI-UHFFFAOYSA-N 0 0 375.328 3.231 10 5 GGBERN Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1OCCO ZINC000123938348 564466265 /nfs/dbraw/zinc/46/62/65/564466265.db2.gz VOEMSQQXGLDMHA-UHFFFAOYSA-N 0 0 395.209 3.289 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000047037298 564511978 /nfs/dbraw/zinc/51/19/78/564511978.db2.gz CRKAKCZOLBADDH-SNVBAGLBSA-N 0 0 378.226 3.422 10 5 GGBERN CC(C)Cn1c(SCc2csc([N+](=O)[O-])c2)nnc1N1CCOCC1 ZINC000047172150 564514407 /nfs/dbraw/zinc/51/44/07/564514407.db2.gz FMYMLBZVSVCUBM-UHFFFAOYSA-N 0 0 383.499 3.033 10 5 GGBERN CO[C@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000125635400 564520935 /nfs/dbraw/zinc/52/09/35/564520935.db2.gz GASDDIRGLZOFNX-OAHLLOKOSA-N 0 0 384.841 3.451 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccn(C2CCCC2)n1 ZINC000125676742 564522831 /nfs/dbraw/zinc/52/28/31/564522831.db2.gz JPJFMMCUIXLHCW-UHFFFAOYSA-N 0 0 384.845 3.038 10 5 GGBERN CN(Cc1nc(C(F)(F)F)cs1)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125709426 564523924 /nfs/dbraw/zinc/52/39/24/564523924.db2.gz FDSODQKAYMCHKT-UHFFFAOYSA-N 0 0 395.384 3.110 10 5 GGBERN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cscn1 ZINC000050407914 564557920 /nfs/dbraw/zinc/55/79/20/564557920.db2.gz RLFJJQGVIARPED-UHFFFAOYSA-N 0 0 377.369 3.479 10 5 GGBERN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000126815629 564563618 /nfs/dbraw/zinc/56/36/18/564563618.db2.gz DRVVBXSRSMFJRS-CYBMUJFWSA-N 0 0 392.209 3.046 10 5 GGBERN Cc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CCO2)o1 ZINC000127063123 564572557 /nfs/dbraw/zinc/57/25/57/564572557.db2.gz GZXUYUPONZVZTG-HNNXBMFYSA-N 0 0 395.209 3.472 10 5 GGBERN Cn1cnc([N+](=O)[O-])c1Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000052712903 564576541 /nfs/dbraw/zinc/57/65/41/564576541.db2.gz PSOQKGOUUJLMJE-UHFFFAOYSA-N 0 0 378.723 3.194 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1=O ZINC000127191617 564577306 /nfs/dbraw/zinc/57/73/06/564577306.db2.gz DNSQKLIWAXJPKM-JTQLQIEISA-N 0 0 384.219 3.249 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(CC[S@@](=O)c2cc(Cl)ccc2Cl)c1=O ZINC000127227618 564578066 /nfs/dbraw/zinc/57/80/66/564578066.db2.gz ICCRZMKBZIJUKC-QHCPKHFHSA-N 0 0 375.233 3.180 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)c(Cl)c1 ZINC000127569361 564589121 /nfs/dbraw/zinc/58/91/21/564589121.db2.gz GVRYYAJBBNEGAE-CYBMUJFWSA-N 0 0 388.854 3.072 10 5 GGBERN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCS1(=O)=O ZINC000127816953 564597059 /nfs/dbraw/zinc/59/70/59/564597059.db2.gz BVPRIXMGAZOIRP-NSHDSACASA-N 0 0 384.841 3.127 10 5 GGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)cc1C ZINC000127839021 564597690 /nfs/dbraw/zinc/59/76/90/564597690.db2.gz YVQPKCDVOPYOOU-CQSZACIVSA-N 0 0 382.463 3.035 10 5 GGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H](c2cccs2)C1 ZINC000127908066 564600722 /nfs/dbraw/zinc/60/07/22/564600722.db2.gz HFKMMTMMGZESRK-LBPRGKRZSA-N 0 0 388.854 3.072 10 5 GGBERN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127973770 564602782 /nfs/dbraw/zinc/60/27/82/564602782.db2.gz RIHILWPWZLUXHM-WBMJQRKESA-N 0 0 383.242 3.125 10 5 GGBERN O=[N+]([O-])c1ccc(OC2CCN(c3ncncc3Br)CC2)cc1 ZINC000128086896 564606177 /nfs/dbraw/zinc/60/61/77/564606177.db2.gz IPKYVCFCEAOJCJ-UHFFFAOYSA-N 0 0 379.214 3.195 10 5 GGBERN CCc1cccc(CC)c1NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000054919515 564612858 /nfs/dbraw/zinc/61/28/58/564612858.db2.gz DCBOGLIEMSVZSB-UHFFFAOYSA-N 0 0 381.230 3.317 10 5 GGBERN Cc1nc(C2(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)CCCC2)no1 ZINC000055552791 564623298 /nfs/dbraw/zinc/62/32/98/564623298.db2.gz DJBYAMURFPRSOK-UHFFFAOYSA-N 0 0 395.213 3.248 10 5 GGBERN Cc1ccc(OCCN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000055990893 564636985 /nfs/dbraw/zinc/63/69/85/564636985.db2.gz NMKZAWUYSLPCGA-UHFFFAOYSA-N 0 0 384.841 3.256 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000129152223 564639860 /nfs/dbraw/zinc/63/98/60/564639860.db2.gz DRIOQUVGPMOGIC-CYBMUJFWSA-N 0 0 382.360 3.003 10 5 GGBERN C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000129145562 564639898 /nfs/dbraw/zinc/63/98/98/564639898.db2.gz BVOZKWFWCWKSKU-SMDDNHRTSA-N 0 0 382.463 3.026 10 5 GGBERN CN(Cc1nc2c(s1)CCCC2)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000129214593 564641802 /nfs/dbraw/zinc/64/18/02/564641802.db2.gz DUMDVBYDRNDLCA-UHFFFAOYSA-N 0 0 387.508 3.032 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000057021790 564657232 /nfs/dbraw/zinc/65/72/32/564657232.db2.gz SPKDFPULNVCYCR-CQSZACIVSA-N 0 0 382.825 3.223 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000057021791 564657359 /nfs/dbraw/zinc/65/73/59/564657359.db2.gz SPKDFPULNVCYCR-AWEZNQCLSA-N 0 0 382.825 3.223 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000057022138 564657816 /nfs/dbraw/zinc/65/78/16/564657816.db2.gz CFXNSORRDFBDCW-SECBINFHSA-N 0 0 388.804 3.435 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@H]2C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000129814273 564662019 /nfs/dbraw/zinc/66/20/19/564662019.db2.gz IUXDJYBUNXDGCK-ZDUSSCGKSA-N 0 0 399.241 3.222 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000129943853 564665971 /nfs/dbraw/zinc/66/59/71/564665971.db2.gz RXBLQXHQZHKJBH-ZDUSSCGKSA-N 0 0 376.722 3.173 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000129963510 564666174 /nfs/dbraw/zinc/66/61/74/564666174.db2.gz BSFRJQYMXNRVGM-CYBMUJFWSA-N 0 0 376.722 3.255 10 5 GGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000130444939 564680703 /nfs/dbraw/zinc/68/07/03/564680703.db2.gz LOBBZUYFRLWAMC-SECBINFHSA-N 0 0 386.499 3.493 10 5 GGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)c1ccc(Br)cc1F ZINC000131183039 564703514 /nfs/dbraw/zinc/70/35/14/564703514.db2.gz ZLPNZUXSQQQGHA-MRVPVSSYSA-N 0 0 386.177 3.306 10 5 GGBERN Cc1ccsc1-c1nsc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)n1 ZINC000131437495 564712032 /nfs/dbraw/zinc/71/20/32/564712032.db2.gz JJIGKMJJPOSGQP-UHFFFAOYSA-N 0 0 378.439 3.017 10 5 GGBERN O=C(NCCc1cccs1)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000063301166 564716024 /nfs/dbraw/zinc/71/60/24/564716024.db2.gz FBIFNZHSYPASPZ-UHFFFAOYSA-N 0 0 379.507 3.289 10 5 GGBERN Cn1c2ccc(Cl)cc2[nH]c1=NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000063981736 564725100 /nfs/dbraw/zinc/72/51/00/564725100.db2.gz KIGNUXXMYOBJHG-UHFFFAOYSA-N 0 0 376.825 3.288 10 5 GGBERN CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242260 564726039 /nfs/dbraw/zinc/72/60/39/564726039.db2.gz FQDKNZVKJUXOOJ-UHFFFAOYSA-N 0 0 391.268 3.240 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccnc2)s1 ZINC000064245128 564727179 /nfs/dbraw/zinc/72/71/79/564727179.db2.gz SXIGIMXFDSVHFH-UHFFFAOYSA-N 0 0 379.419 3.035 10 5 GGBERN CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245115 564727280 /nfs/dbraw/zinc/72/72/80/564727280.db2.gz NTNLYJFDWQVJBX-UHFFFAOYSA-N 0 0 380.369 3.496 10 5 GGBERN COc1ccc2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 ZINC000064244950 564727459 /nfs/dbraw/zinc/72/74/59/564727459.db2.gz UOAXCYPOVCYZMR-UHFFFAOYSA-N 0 0 378.431 3.297 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)s1 ZINC000064243945 564727475 /nfs/dbraw/zinc/72/74/75/564727475.db2.gz RCKKBXLBAKCQLY-UHFFFAOYSA-N 0 0 378.884 3.380 10 5 GGBERN O=C(CNc1ccccc1[N+](=O)[O-])NCc1cc(F)cc(Br)c1 ZINC000065875113 564751627 /nfs/dbraw/zinc/75/16/27/564751627.db2.gz XVKBIASCGJTMDA-UHFFFAOYSA-N 0 0 382.189 3.225 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2C(F)(F)F)s1 ZINC000066001494 564753583 /nfs/dbraw/zinc/75/35/83/564753583.db2.gz HUCKRJGZHPQQFD-UHFFFAOYSA-N 0 0 380.369 3.196 10 5 GGBERN O=c1c(Br)cn(Cc2ncc(-c3cccc(F)c3)o2)cc1[N+](=O)[O-] ZINC000132881238 564756103 /nfs/dbraw/zinc/75/61/03/564756103.db2.gz FNQCLTOXSHIOFG-UHFFFAOYSA-N 0 0 394.156 3.361 10 5 GGBERN COc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1CO ZINC000133067169 564761946 /nfs/dbraw/zinc/76/19/46/564761946.db2.gz YVIBXLAJEUWHEY-UHFFFAOYSA-N 0 0 395.209 3.419 10 5 GGBERN COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000066333449 564762308 /nfs/dbraw/zinc/76/23/08/564762308.db2.gz LLVHXWSXYYCXCE-SNVBAGLBSA-N 0 0 386.451 3.021 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)s1 ZINC000066327447 564762591 /nfs/dbraw/zinc/76/25/91/564762591.db2.gz ILSWXCCTACPDML-NSHDSACASA-N 0 0 388.492 3.088 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N(C)c2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000066582058 564770127 /nfs/dbraw/zinc/77/01/27/564770127.db2.gz FMLJLDNULOQVHY-UHFFFAOYSA-N 0 0 376.221 3.430 10 5 GGBERN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1c(Cl)ccc(F)c1Cl ZINC000133563970 564778016 /nfs/dbraw/zinc/77/80/16/564778016.db2.gz YLJPRVIFYKZACX-QMMMGPOBSA-N 0 0 390.202 3.298 10 5 GGBERN CN(Cc1ccc(Br)cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134207392 564796497 /nfs/dbraw/zinc/79/64/97/564796497.db2.gz VAKKFSDGTLKMCI-UHFFFAOYSA-N 0 0 399.266 3.319 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC[C@@H]1CCCC[C@@H]1O ZINC000134474131 564804286 /nfs/dbraw/zinc/80/42/86/564804286.db2.gz CCLWGGIJZGEHDW-LRDDRELGSA-N 0 0 399.285 3.347 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC[C@H]1CCCC[C@@H]1O ZINC000134474150 564804673 /nfs/dbraw/zinc/80/46/73/564804673.db2.gz CCLWGGIJZGEHDW-WBMJQRKESA-N 0 0 399.285 3.347 10 5 GGBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000134608280 564809083 /nfs/dbraw/zinc/80/90/83/564809083.db2.gz AMDTVKMFZXTOPP-ABAIWWIYSA-N 0 0 385.258 3.418 10 5 GGBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000134608327 564809270 /nfs/dbraw/zinc/80/92/70/564809270.db2.gz AMDTVKMFZXTOPP-IAQYHMDHSA-N 0 0 385.258 3.418 10 5 GGBERN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135715013 564839400 /nfs/dbraw/zinc/83/94/00/564839400.db2.gz YRMWQQCDFCESKS-ZDUSSCGKSA-N 0 0 392.209 3.046 10 5 GGBERN Cc1sc(C(=O)NCCOc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000135836345 564840575 /nfs/dbraw/zinc/84/05/75/564840575.db2.gz ANEOLTWXTIJNKR-UHFFFAOYSA-N 0 0 376.221 3.475 10 5 GGBERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000137353414 564861890 /nfs/dbraw/zinc/86/18/90/564861890.db2.gz GEBRVEZDYKPMGZ-LLVKDONJSA-N 0 0 381.219 3.305 10 5 GGBERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000137830294 564863863 /nfs/dbraw/zinc/86/38/63/564863863.db2.gz DLRSDVBUPHWQGB-JTQLQIEISA-N 0 0 381.219 3.305 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000079305773 564866946 /nfs/dbraw/zinc/86/69/46/564866946.db2.gz OIBYNRPSGSPBQO-LLVKDONJSA-N 0 0 384.841 3.302 10 5 GGBERN NC(=O)c1ccc(CN2CCc3cc(Br)cc(F)c32)c([N+](=O)[O-])c1 ZINC000084340883 564869467 /nfs/dbraw/zinc/86/94/67/564869467.db2.gz ZVGDCRCNVMVZNO-UHFFFAOYSA-N 0 0 394.200 3.158 10 5 GGBERN CC(C)(C)OC(=O)n1nc(I)c2c1cccc2[N+](=O)[O-] ZINC000089195575 564870064 /nfs/dbraw/zinc/87/00/64/564870064.db2.gz OUCJNGASOUQXKI-UHFFFAOYSA-N 0 0 389.149 3.332 10 5 GGBERN NC(=O)c1c(F)cc(Br)cc1NCCNc1ccccc1[N+](=O)[O-] ZINC000092827350 564882571 /nfs/dbraw/zinc/88/25/71/564882571.db2.gz NLMYBGBNQFJEFA-UHFFFAOYSA-N 0 0 397.204 3.119 10 5 GGBERN COc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000150782462 564889920 /nfs/dbraw/zinc/88/99/20/564889920.db2.gz JTCWTBOPEQYJOV-NXEZZACHSA-N 0 0 382.360 3.003 10 5 GGBERN NC(=O)c1c(F)cc(Br)cc1NCCNc1ccc([N+](=O)[O-])cc1 ZINC000094132439 564897116 /nfs/dbraw/zinc/89/71/16/564897116.db2.gz IUKZVPUKQSLWLI-UHFFFAOYSA-N 0 0 397.204 3.119 10 5 GGBERN NC(=O)c1c(F)cc(Br)cc1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000094157628 564898088 /nfs/dbraw/zinc/89/80/88/564898088.db2.gz BDPROTYPTXJOTM-UHFFFAOYSA-N 0 0 398.188 3.086 10 5 GGBERN COc1ccccc1NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000151151696 564906964 /nfs/dbraw/zinc/90/69/64/564906964.db2.gz LCXPVUMTHIEBMM-UHFFFAOYSA-N 0 0 381.182 3.383 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151319832 564913932 /nfs/dbraw/zinc/91/39/32/564913932.db2.gz BCGOEXJBYDTWEA-GUYCJALGSA-N 0 0 397.269 3.053 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151319683 564914303 /nfs/dbraw/zinc/91/43/03/564914303.db2.gz BCGOEXJBYDTWEA-DYVFJYSZSA-N 0 0 397.269 3.053 10 5 GGBERN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000102239325 564927006 /nfs/dbraw/zinc/92/70/06/564927006.db2.gz RUXYBTLHPSTMHV-UHFFFAOYSA-N 0 0 385.193 3.091 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000151757326 564935987 /nfs/dbraw/zinc/93/59/87/564935987.db2.gz MLTCHOLDDAGLQZ-OAHLLOKOSA-N 0 0 382.438 3.390 10 5 GGBERN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000152155998 564948722 /nfs/dbraw/zinc/94/87/22/564948722.db2.gz PKNDWSMOIWEIAT-UHFFFAOYSA-N 0 0 388.181 3.395 10 5 GGBERN COc1ccccc1CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000104744883 564959345 /nfs/dbraw/zinc/95/93/45/564959345.db2.gz IEZCSTMWINWHMP-UHFFFAOYSA-N 0 0 384.841 3.120 10 5 GGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000105367186 564965512 /nfs/dbraw/zinc/96/55/12/564965512.db2.gz MAYDOVXGPLRYSN-AWEZNQCLSA-N 0 0 380.857 3.332 10 5 GGBERN CC(C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000152767869 564970435 /nfs/dbraw/zinc/97/04/35/564970435.db2.gz WGTBAELICJLWNN-UHFFFAOYSA-N 0 0 385.258 3.316 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1nc(-c2ccsc2)no1 ZINC000105713811 564972928 /nfs/dbraw/zinc/97/29/28/564972928.db2.gz JHAHYFWQZAJXNY-SNVBAGLBSA-N 0 0 379.419 3.382 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCc1ccc(Br)cc1 ZINC000106666827 564986700 /nfs/dbraw/zinc/98/67/00/564986700.db2.gz ODRRQGYUIFDFAZ-UHFFFAOYSA-N 0 0 378.226 3.375 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N(C)[C@@H]3CCOC3)cc2[N+](=O)[O-])n1 ZINC000106847120 564989724 /nfs/dbraw/zinc/98/97/24/564989724.db2.gz RKQJBMXNBIXBHJ-GFCCVEGCSA-N 0 0 379.463 3.372 10 5 GGBERN Cc1[nH]c2ccccc2c1C(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000153461147 564996057 /nfs/dbraw/zinc/99/60/57/564996057.db2.gz XZBILYWERDYPAR-UHFFFAOYSA-N 0 0 390.193 3.192 10 5 GGBERN CC(C)c1ccc(NC(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)cc1 ZINC000153474172 564996804 /nfs/dbraw/zinc/99/68/04/564996804.db2.gz BPOUKBULMPZJBT-UHFFFAOYSA-N 0 0 394.225 3.281 10 5 GGBERN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cc(F)cc2cccnc21 ZINC000153471054 564997455 /nfs/dbraw/zinc/99/74/55/564997455.db2.gz UFYLITUHDJYWPI-UHFFFAOYSA-N 0 0 378.157 3.255 10 5 GGBERN COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000107308780 564998297 /nfs/dbraw/zinc/99/82/97/564998297.db2.gz ZHWBTHGNIUTZNJ-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN Cc1cc(Br)ccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153614741 565003190 /nfs/dbraw/zinc/00/31/90/565003190.db2.gz YGHWOASFHOEHME-UHFFFAOYSA-N 0 0 399.266 3.285 10 5 GGBERN Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000153696043 565006130 /nfs/dbraw/zinc/00/61/30/565006130.db2.gz YMBBRJHQSUWANY-OAHLLOKOSA-N 0 0 381.479 3.199 10 5 GGBERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)c1 ZINC000153677066 565006253 /nfs/dbraw/zinc/00/62/53/565006253.db2.gz UJOJZXIDKVOIJQ-CQSZACIVSA-N 0 0 393.241 3.340 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CCCC2)n1 ZINC000153782266 565010811 /nfs/dbraw/zinc/01/08/11/565010811.db2.gz YJKHZZDBMBBXGM-UHFFFAOYSA-N 0 0 381.479 3.249 10 5 GGBERN O=[N+]([O-])c1cccc(OC[C@H](O)COc2cc(F)ccc2Br)c1 ZINC000153833225 565013539 /nfs/dbraw/zinc/01/35/39/565013539.db2.gz PFLAXYYDKCVVJZ-LBPRGKRZSA-N 0 0 386.173 3.315 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCCCC3)c2)s1 ZINC000153843050 565013971 /nfs/dbraw/zinc/01/39/71/565013971.db2.gz FINAKTNPLGECNY-UHFFFAOYSA-N 0 0 381.479 3.443 10 5 GGBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154016046 565021820 /nfs/dbraw/zinc/02/18/20/565021820.db2.gz HDJTZBUCJHKWEY-VIFPVBQESA-N 0 0 395.257 3.069 10 5 GGBERN Cc1ccc(OC[C@@H](O)COc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC000154006222 565022223 /nfs/dbraw/zinc/02/22/23/565022223.db2.gz SREMKNXQZJYUAT-GFCCVEGCSA-N 0 0 382.210 3.484 10 5 GGBERN CCc1cnc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000154059646 565024628 /nfs/dbraw/zinc/02/46/28/565024628.db2.gz AOAXKNQLIKDLLB-UHFFFAOYSA-N 0 0 384.255 3.349 10 5 GGBERN COc1cccc([C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CCO2)c1 ZINC000154219652 565030369 /nfs/dbraw/zinc/03/03/69/565030369.db2.gz SFBKQJRFZSGINJ-HNNXBMFYSA-N 0 0 394.225 3.339 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000154330749 565034364 /nfs/dbraw/zinc/03/43/64/565034364.db2.gz KEAVHMUDBGTRMW-HNNXBMFYSA-N 0 0 392.209 3.046 10 5 GGBERN Cc1sc(C(=O)NCCOc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000154325724 565034382 /nfs/dbraw/zinc/03/43/82/565034382.db2.gz YTDQOGKXSQBPKS-UHFFFAOYSA-N 0 0 375.328 3.187 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000154443979 565039485 /nfs/dbraw/zinc/03/94/85/565039485.db2.gz VMNGRPAEOFKMFK-WFASDCNBSA-N 0 0 397.225 3.279 10 5 GGBERN Cc1sc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000154566791 565044913 /nfs/dbraw/zinc/04/49/13/565044913.db2.gz NYNLJMGLODMDBV-LBPRGKRZSA-N 0 0 379.825 3.153 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2(c3cccc(Cl)c3)CC2)c1 ZINC000154595234 565045822 /nfs/dbraw/zinc/04/58/22/565045822.db2.gz HNJCFVVHHMMRJN-UHFFFAOYSA-N 0 0 380.853 3.399 10 5 GGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110877731 565046382 /nfs/dbraw/zinc/04/63/82/565046382.db2.gz QLNKAHMEQWYFRV-SMDDNHRTSA-N 0 0 379.463 3.132 10 5 GGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110877727 565046703 /nfs/dbraw/zinc/04/67/03/565046703.db2.gz QLNKAHMEQWYFRV-FZMZJTMJSA-N 0 0 379.463 3.132 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000154734463 565051062 /nfs/dbraw/zinc/05/10/62/565051062.db2.gz MCCSINBAADAKKE-CYBMUJFWSA-N 0 0 379.463 3.377 10 5 GGBERN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000154980510 565058915 /nfs/dbraw/zinc/05/89/15/565058915.db2.gz BGNFNJOGKXVIKS-LBPRGKRZSA-N 0 0 384.841 3.135 10 5 GGBERN Cc1csc([C@H]2CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000155032886 565059776 /nfs/dbraw/zinc/05/97/76/565059776.db2.gz JVUGOFOVMODKSO-AWEZNQCLSA-N 0 0 381.479 3.069 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccc(Br)cc32)s1 ZINC000112267041 565061554 /nfs/dbraw/zinc/06/15/54/565061554.db2.gz MUXBWIKHDSYDNK-UHFFFAOYSA-N 0 0 389.252 3.170 10 5 GGBERN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000155112206 565062236 /nfs/dbraw/zinc/06/22/36/565062236.db2.gz HVHYQPRNKDDLIW-GFCCVEGCSA-N 0 0 384.841 3.135 10 5 GGBERN CC(C)N(CCc1nccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000155554837 565068921 /nfs/dbraw/zinc/06/89/21/565068921.db2.gz HQCSURRDFXIGLJ-UHFFFAOYSA-N 0 0 389.886 3.347 10 5 GGBERN O=[N+]([O-])c1cc(Cn2nnnc2Cc2ccc(Br)cc2)cs1 ZINC000114218654 565072729 /nfs/dbraw/zinc/07/27/29/565072729.db2.gz BCLMQDKFWFPIRD-UHFFFAOYSA-N 0 0 380.227 3.044 10 5 GGBERN CO[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000156098129 565075067 /nfs/dbraw/zinc/07/50/67/565075067.db2.gz NIYHUAJQFPATBB-INIZCTEOSA-N 0 0 384.841 3.055 10 5 GGBERN C[C@H](C(=O)Nc1c[nH]cc(Br)c1=O)c1ccc([N+](=O)[O-])cc1F ZINC000183566841 565079785 /nfs/dbraw/zinc/07/97/85/565079785.db2.gz CVOKRIFTHGLUSU-ZETCQYMHSA-N 0 0 384.161 3.339 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000156642854 565099662 /nfs/dbraw/zinc/09/96/62/565099662.db2.gz UBWFBWUPZCKAJX-LLVKDONJSA-N 0 0 390.193 3.422 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)c1cccc(Br)c1 ZINC000183877984 565100186 /nfs/dbraw/zinc/10/01/86/565100186.db2.gz LQZRTNKEXJAEPV-HNNXBMFYSA-N 0 0 381.226 3.189 10 5 GGBERN CC(C)N(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CCOC1 ZINC000292306482 565110298 /nfs/dbraw/zinc/11/02/98/565110298.db2.gz AFNUCZCOWHUVIH-SNVBAGLBSA-N 0 0 375.194 3.136 10 5 GGBERN CCOC(=O)c1cnn(-c2ncc([N+](=O)[O-])cc2Br)c1C(F)F ZINC000267287689 565112591 /nfs/dbraw/zinc/11/25/91/565112591.db2.gz WXTDGYVKLZNSNV-UHFFFAOYSA-N 0 0 391.128 3.052 10 5 GGBERN C[C@]12CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@H]1C2(F)F ZINC000292457945 565117253 /nfs/dbraw/zinc/11/72/53/565117253.db2.gz YPWZLRCMGPPYOO-NEPJUHHUSA-N 0 0 384.763 3.053 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@H](Cc2ccncc2)C1 ZINC000369992335 565120726 /nfs/dbraw/zinc/12/07/26/565120726.db2.gz BIFMFIMBPGAMAV-CYBMUJFWSA-N 0 0 390.237 3.457 10 5 GGBERN CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000157279703 565127032 /nfs/dbraw/zinc/12/70/32/565127032.db2.gz MVVZOIDAXOJSRH-UHFFFAOYSA-N 0 0 393.197 3.271 10 5 GGBERN Cc1nc(C(F)(F)F)c(CNc2cc([N+](=O)[O-])ccc2NCCO)s1 ZINC000184311681 565128478 /nfs/dbraw/zinc/12/84/78/565128478.db2.gz QBPRBWUFLVQNFE-UHFFFAOYSA-N 0 0 376.360 3.395 10 5 GGBERN Cc1cc(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC000292738034 565132239 /nfs/dbraw/zinc/13/22/39/565132239.db2.gz HCXJYSQCMCXXLS-SNVBAGLBSA-N 0 0 399.347 3.081 10 5 GGBERN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cc([N+](=O)[O-])ncc1Br ZINC000370203275 565133058 /nfs/dbraw/zinc/13/30/58/565133058.db2.gz FURFFZSAAUDFFF-XFBWCDHKSA-N 0 0 388.221 3.211 10 5 GGBERN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cc([N+](=O)[O-])ncc1Br ZINC000370203273 565133468 /nfs/dbraw/zinc/13/34/68/565133468.db2.gz FURFFZSAAUDFFF-IUIKQTSFSA-N 0 0 388.221 3.211 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H](Cc2ccccc2)C1 ZINC000370306133 565136455 /nfs/dbraw/zinc/13/64/55/565136455.db2.gz SKVMEGPVBUWQNR-CYBMUJFWSA-N 0 0 390.237 3.457 10 5 GGBERN CCc1noc(C)c1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000292854799 565138528 /nfs/dbraw/zinc/13/85/28/565138528.db2.gz RQKJZNNATLEIOC-UHFFFAOYSA-N 0 0 375.353 3.062 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2c[nH]cn2)CC1 ZINC000370356291 565139757 /nfs/dbraw/zinc/13/97/57/565139757.db2.gz ZNNJDQSBNFNHEX-UHFFFAOYSA-N 0 0 393.241 3.029 10 5 GGBERN Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)s1 ZINC000184506580 565140936 /nfs/dbraw/zinc/14/09/36/565140936.db2.gz MNNCDCAIANMURO-SNVBAGLBSA-N 0 0 387.458 3.497 10 5 GGBERN Cc1csc([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000184596514 565146369 /nfs/dbraw/zinc/14/63/69/565146369.db2.gz CPHHYAHWZAIVQO-CYBMUJFWSA-N 0 0 381.479 3.069 10 5 GGBERN CCCO[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000370573068 565150104 /nfs/dbraw/zinc/15/01/04/565150104.db2.gz YUQWMPKXKWQZDX-NSHDSACASA-N 0 0 386.246 3.174 10 5 GGBERN CCCO[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000370573067 565150691 /nfs/dbraw/zinc/15/06/91/565150691.db2.gz YUQWMPKXKWQZDX-LLVKDONJSA-N 0 0 386.246 3.174 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CCc3n[nH]cc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000370636978 565152890 /nfs/dbraw/zinc/15/28/90/565152890.db2.gz VPPRAECNJYLUOK-NSHDSACASA-N 0 0 394.229 3.068 10 5 GGBERN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC000370940913 565169307 /nfs/dbraw/zinc/16/93/07/565169307.db2.gz DMWGFWBEUWXANH-GFCCVEGCSA-N 0 0 395.213 3.416 10 5 GGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Br)c[nH]c1=O ZINC000185273782 565192280 /nfs/dbraw/zinc/19/22/80/565192280.db2.gz AFJNUZAZTLPRDE-NSHDSACASA-N 0 0 394.225 3.253 10 5 GGBERN O=C(Nc1cccc2c1OCC[C@H]2O)c1ccc([N+](=O)[O-])cc1Br ZINC000185364314 565197260 /nfs/dbraw/zinc/19/72/60/565197260.db2.gz BKAHBVXTLMRTCR-CQSZACIVSA-N 0 0 393.193 3.426 10 5 GGBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](c1nccs1)C(F)(F)F ZINC000294072177 565197462 /nfs/dbraw/zinc/19/74/62/565197462.db2.gz ZXOSAHZIMNCOTG-GFCCVEGCSA-N 0 0 375.328 3.240 10 5 GGBERN Cc1cc(C)c(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000269816616 565199865 /nfs/dbraw/zinc/19/98/65/565199865.db2.gz ARWLYPHKBIEOMP-UHFFFAOYSA-N 0 0 394.225 3.313 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(c2ncc[nH]2)CC1 ZINC000270015178 565205658 /nfs/dbraw/zinc/20/56/58/565205658.db2.gz ZDRSUPSRLYAJFM-UHFFFAOYSA-N 0 0 394.229 3.492 10 5 GGBERN Cc1nn(C)c(C(=O)N2CCC[C@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000371715177 565206833 /nfs/dbraw/zinc/20/68/33/565206833.db2.gz IWCCOAVMLFABMV-VIFPVBQESA-N 0 0 399.270 3.438 10 5 GGBERN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)c1nccs1 ZINC000185674094 565214943 /nfs/dbraw/zinc/21/49/43/565214943.db2.gz AUZZKMHZIYNXBB-LLVKDONJSA-N 0 0 378.435 3.029 10 5 GGBERN O=c1ccc([N+](=O)[O-])cn1CCSc1nnc(Nc2ccccc2)s1 ZINC000159696681 565214946 /nfs/dbraw/zinc/21/49/46/565214946.db2.gz QCWWQUHOYMJGKN-UHFFFAOYSA-N 0 0 375.435 3.144 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)n1 ZINC000372002333 565218723 /nfs/dbraw/zinc/21/87/23/565218723.db2.gz FWTXFTHEUBZVEY-LBPRGKRZSA-N 0 0 397.204 3.207 10 5 GGBERN COCC[C@H]1CCCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000372049737 565220704 /nfs/dbraw/zinc/22/07/04/565220704.db2.gz VPNOZXJRKCCLGI-GFCCVEGCSA-N 0 0 376.862 3.076 10 5 GGBERN Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000159871401 565220934 /nfs/dbraw/zinc/22/09/34/565220934.db2.gz HTTWVKHGDLFPFD-MRVPVSSYSA-N 0 0 387.845 3.071 10 5 GGBERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000185796107 565221069 /nfs/dbraw/zinc/22/10/69/565221069.db2.gz NYPFYFDWQCNGGU-LBPRGKRZSA-N 0 0 381.479 3.182 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000186219741 565247656 /nfs/dbraw/zinc/24/76/56/565247656.db2.gz HVEHDMNFZCLHPV-UHFFFAOYSA-N 0 0 394.225 3.365 10 5 GGBERN Cc1nn(C)c(C)c1OS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295150246 565247768 /nfs/dbraw/zinc/24/77/68/565247768.db2.gz LZLWBWRRZVXOAV-UHFFFAOYSA-N 0 0 380.209 3.020 10 5 GGBERN CC[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000271361125 565249892 /nfs/dbraw/zinc/24/98/92/565249892.db2.gz GLTAEFIANRWRLI-NSHDSACASA-N 0 0 395.257 3.090 10 5 GGBERN CC(F)(F)CCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000295213005 565251689 /nfs/dbraw/zinc/25/16/89/565251689.db2.gz ATLPITZPOVQNIY-UHFFFAOYSA-N 0 0 398.147 3.365 10 5 GGBERN CSc1cccc(C(=O)Nc2cc(Br)c[nH]c2=O)c1[N+](=O)[O-] ZINC000186285711 565251777 /nfs/dbraw/zinc/25/17/77/565251777.db2.gz BCHBHPBZLQLJED-UHFFFAOYSA-N 0 0 384.211 3.020 10 5 GGBERN COc1c(F)cc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000186335503 565256162 /nfs/dbraw/zinc/25/61/62/565256162.db2.gz OSJOBQBYSSNBAG-ZETCQYMHSA-N 0 0 394.833 3.497 10 5 GGBERN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H](Cc2ccncc2)C1 ZINC000372961917 565263005 /nfs/dbraw/zinc/26/30/05/565263005.db2.gz VAPQVVWSLAPYQR-CYBMUJFWSA-N 0 0 390.237 3.457 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)NCCSCc2ccc(Cl)cc2Cl)n1 ZINC000272146897 565278363 /nfs/dbraw/zinc/27/83/63/565278363.db2.gz WKZXUMSWECNVCN-UHFFFAOYSA-N 0 0 389.264 3.298 10 5 GGBERN O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000373419901 565284388 /nfs/dbraw/zinc/28/43/88/565284388.db2.gz XDLLDZLPKIOMQQ-UHFFFAOYSA-N 0 0 377.388 3.191 10 5 GGBERN COC1CCC(N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000272488920 565289197 /nfs/dbraw/zinc/28/91/97/565289197.db2.gz PRTYTMCJLACFLO-UHFFFAOYSA-N 0 0 376.862 3.135 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(C2CCOCC2)CC1 ZINC000161883770 565296586 /nfs/dbraw/zinc/29/65/86/565296586.db2.gz SDQGYYJPMSCCBT-UHFFFAOYSA-N 0 0 388.873 3.076 10 5 GGBERN O=C(Nc1ccsc1Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000186971905 565298608 /nfs/dbraw/zinc/29/86/08/565298608.db2.gz AFWULBVTRINWDC-QMMMGPOBSA-N 0 0 383.788 3.440 10 5 GGBERN Cc1c(NC(=O)N2CCO[C@@H](C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000373843867 565306760 /nfs/dbraw/zinc/30/67/60/565306760.db2.gz MPDYRBCSQAOIQW-CQSZACIVSA-N 0 0 384.230 3.308 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2ncc[nH]2)CC1 ZINC000273110655 565308221 /nfs/dbraw/zinc/30/82/21/565308221.db2.gz KVHKMPWFHHNMMN-UHFFFAOYSA-N 0 0 380.857 3.470 10 5 GGBERN Cc1c(NC(=O)N2CCOC[C@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000373928585 565309470 /nfs/dbraw/zinc/30/94/70/565309470.db2.gz LLNJRISQROUKFF-AWEZNQCLSA-N 0 0 384.230 3.308 10 5 GGBERN C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1c(Cl)ccc(F)c1Cl ZINC000162260471 565310988 /nfs/dbraw/zinc/31/09/88/565310988.db2.gz YWLMWPMOOIHHDR-MRVPVSSYSA-N 0 0 388.182 3.080 10 5 GGBERN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000373945861 565312408 /nfs/dbraw/zinc/31/24/08/565312408.db2.gz KAQXJJYLYSGCCZ-NSHDSACASA-N 0 0 398.257 3.364 10 5 GGBERN CN(Cc1ccc(F)cc1Cl)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162353845 565314619 /nfs/dbraw/zinc/31/46/19/565314619.db2.gz FFTBITNQVBETIK-UHFFFAOYSA-N 0 0 386.832 3.392 10 5 GGBERN Cc1c(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000374027348 565316655 /nfs/dbraw/zinc/31/66/55/565316655.db2.gz MYRYPOFURBFENY-NWDGAFQWSA-N 0 0 379.214 3.141 10 5 GGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000162438852 565317714 /nfs/dbraw/zinc/31/77/14/565317714.db2.gz VBWHHEUBVVMFNT-UHFFFAOYSA-N 0 0 382.463 3.111 10 5 GGBERN Cc1nc(C(F)(F)F)c(Cn2cc([N+](=O)[O-])cc(Br)c2=O)s1 ZINC000273448907 565321539 /nfs/dbraw/zinc/32/15/39/565321539.db2.gz FLFOTTFMIJXAIE-UHFFFAOYSA-N 0 0 398.160 3.351 10 5 GGBERN CC(C)c1ccc(C(=O)Nc2cc(Br)c[nH]c2=O)cc1[N+](=O)[O-] ZINC000187448214 565333802 /nfs/dbraw/zinc/33/38/02/565333802.db2.gz DIQYBQDJKJRDED-UHFFFAOYSA-N 0 0 380.198 3.421 10 5 GGBERN CC(C)N([C@@H]1CCOC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000297023711 565351576 /nfs/dbraw/zinc/35/15/76/565351576.db2.gz KPRWLDKJRZFJGY-SECBINFHSA-N 0 0 383.253 3.090 10 5 GGBERN NC(=O)[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21 ZINC000374901186 565359190 /nfs/dbraw/zinc/35/91/90/565359190.db2.gz JCWJVVIUGQOOLH-CYBMUJFWSA-N 0 0 390.237 3.337 10 5 GGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCC2 ZINC000375093457 565367780 /nfs/dbraw/zinc/36/77/80/565367780.db2.gz JVIITDHZYYUOIR-STQMWFEESA-N 0 0 398.257 3.172 10 5 GGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCC2 ZINC000375093456 565368401 /nfs/dbraw/zinc/36/84/01/565368401.db2.gz JVIITDHZYYUOIR-QWHCGFSZSA-N 0 0 398.257 3.172 10 5 GGBERN Cc1nc([C@@H]2CCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000188004647 565370103 /nfs/dbraw/zinc/37/01/03/565370103.db2.gz LJFAFVFNAYQEPU-INIZCTEOSA-N 0 0 381.479 3.069 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375259113 565378102 /nfs/dbraw/zinc/37/81/02/565378102.db2.gz ULRCKLUWABGTHR-VIFPVBQESA-N 0 0 380.202 3.007 10 5 GGBERN O=[N+]([O-])c1ccc(NCc2cccc(N3CCOCC3)n2)c(Br)c1 ZINC000274731149 565379138 /nfs/dbraw/zinc/37/91/38/565379138.db2.gz BZJBUYPNFIZMPG-UHFFFAOYSA-N 0 0 393.241 3.201 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000375339215 565382212 /nfs/dbraw/zinc/38/22/12/565382212.db2.gz XIRHZPMKPUXCJY-MRXNPFEDSA-N 0 0 383.242 3.308 10 5 GGBERN CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000170622695 565383063 /nfs/dbraw/zinc/38/30/63/565383063.db2.gz GVYYIXSTNVOVBU-ZDUSSCGKSA-N 0 0 376.862 3.218 10 5 GGBERN CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000170622697 565383371 /nfs/dbraw/zinc/38/33/71/565383371.db2.gz GVYYIXSTNVOVBU-CYBMUJFWSA-N 0 0 376.862 3.218 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCOC2 ZINC000375408318 565385436 /nfs/dbraw/zinc/38/54/36/565385436.db2.gz FBFPTAWOSPBUIY-HNNXBMFYSA-N 0 0 384.230 3.392 10 5 GGBERN O=C(CSc1nnc(C(F)(F)F)s1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000188181340 565385668 /nfs/dbraw/zinc/38/56/68/565385668.db2.gz AWSGLBLJZMSBFA-UHFFFAOYSA-N 0 0 390.368 3.147 10 5 GGBERN Cc1sc(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)cc1[N+](=O)[O-] ZINC000275032649 565390284 /nfs/dbraw/zinc/39/02/84/565390284.db2.gz CRKFCUKMTNPXLM-UHFFFAOYSA-N 0 0 382.829 3.092 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000375551601 565393998 /nfs/dbraw/zinc/39/39/98/565393998.db2.gz GBXNBVYCKJVFHS-RISCZKNCSA-N 0 0 384.230 3.436 10 5 GGBERN Cn1ccnc1[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375541837 565394874 /nfs/dbraw/zinc/39/48/74/565394874.db2.gz SXRVVCOIVBBWOQ-SNVBAGLBSA-N 0 0 394.229 3.112 10 5 GGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCN(Cc2cscn2)CC1 ZINC000171023163 565404091 /nfs/dbraw/zinc/40/40/91/565404091.db2.gz BZQNQSVEHUEMJH-UHFFFAOYSA-N 0 0 380.857 3.053 10 5 GGBERN Cc1nn(CCC(=O)N(C)c2ccc(Br)cc2F)c(C)c1[N+](=O)[O-] ZINC000171440243 565432734 /nfs/dbraw/zinc/43/27/34/565432734.db2.gz YOEQGAAULSFKQZ-UHFFFAOYSA-N 0 0 399.220 3.363 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2nccs2)c2ccccc2)s1 ZINC000171713117 565446506 /nfs/dbraw/zinc/44/65/06/565446506.db2.gz HJUCFBISJANSCN-CYBMUJFWSA-N 0 0 381.460 3.181 10 5 GGBERN O=C(N[C@H]1CCCOc2ccccc21)c1cc([N+](=O)[O-])ncc1Br ZINC000376673249 565447883 /nfs/dbraw/zinc/44/78/83/565447883.db2.gz QQOANELENIKGAR-ZDUSSCGKSA-N 0 0 392.209 3.396 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000189250519 565453315 /nfs/dbraw/zinc/45/33/15/565453315.db2.gz MPSWDBGKUKEEQC-UHFFFAOYSA-N 0 0 395.209 3.061 10 5 GGBERN CC(C)[C@@](C)(NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000276663373 565456584 /nfs/dbraw/zinc/45/65/84/565456584.db2.gz GFGBCTVHSPJVAI-MRXNPFEDSA-N 0 0 395.257 3.392 10 5 GGBERN C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000171917246 565457303 /nfs/dbraw/zinc/45/73/03/565457303.db2.gz JQRKLWLKUFZBFQ-SNVBAGLBSA-N 0 0 382.825 3.143 10 5 GGBERN COc1cc(Br)ccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189325917 565458847 /nfs/dbraw/zinc/45/88/47/565458847.db2.gz FQKZIGZJZYLSDQ-UHFFFAOYSA-N 0 0 379.210 3.225 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCc1nnc2n1CCC2 ZINC000301056533 565461817 /nfs/dbraw/zinc/46/18/17/565461817.db2.gz AQGVMKPYULKCGX-UHFFFAOYSA-N 0 0 375.738 3.459 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(Br)cc3)cc2N1 ZINC000301072478 565462262 /nfs/dbraw/zinc/46/22/62/565462262.db2.gz HJDXSNWOCYPHSR-UHFFFAOYSA-N 0 0 378.182 3.300 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3cccc(Br)c3)cc2N1 ZINC000301091301 565464186 /nfs/dbraw/zinc/46/41/86/565464186.db2.gz LFUMNQNQJLOIBD-UHFFFAOYSA-N 0 0 378.182 3.300 10 5 GGBERN C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000301162372 565469386 /nfs/dbraw/zinc/46/93/86/565469386.db2.gz AZRSGXKOJQEMQX-VIFPVBQESA-N 0 0 384.483 3.169 10 5 GGBERN NC(=O)[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301186464 565470554 /nfs/dbraw/zinc/47/05/54/565470554.db2.gz JVVOCRZMZAWPOF-NSHDSACASA-N 0 0 396.216 3.253 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1N1CCN(c2ccc(Br)cn2)CC1 ZINC000301187591 565470918 /nfs/dbraw/zinc/47/09/18/565470918.db2.gz QCMVUVNPLGDHPN-UHFFFAOYSA-N 0 0 377.242 3.387 10 5 GGBERN CN(Cc1ccc(Cl)nc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301229076 565472932 /nfs/dbraw/zinc/47/29/32/565472932.db2.gz GTHIVPVPUNKLEM-UHFFFAOYSA-N 0 0 391.783 3.276 10 5 GGBERN COc1cnccc1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000189568261 565475446 /nfs/dbraw/zinc/47/54/46/565475446.db2.gz RULJBLSHKGDQDV-JTQLQIEISA-N 0 0 394.225 3.181 10 5 GGBERN O=C(c1cccc(Cl)c1)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301268920 565476367 /nfs/dbraw/zinc/47/63/67/565476367.db2.gz IYQASYDRRVWASZ-UHFFFAOYSA-N 0 0 381.219 3.259 10 5 GGBERN O=C1COc2cc([N+](=O)[O-])c(NCc3cc(Br)cs3)cc2N1 ZINC000301317865 565478995 /nfs/dbraw/zinc/47/89/95/565478995.db2.gz OXASWTHWNFYMDD-UHFFFAOYSA-N 0 0 384.211 3.362 10 5 GGBERN O=[N+]([O-])c1cnn(-c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)c1 ZINC000301452043 565487067 /nfs/dbraw/zinc/48/70/67/565487067.db2.gz AIXJYQZURGVUEG-UHFFFAOYSA-N 0 0 376.163 3.192 10 5 GGBERN COc1cc(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])ccc1Br ZINC000301480984 565490030 /nfs/dbraw/zinc/49/00/30/565490030.db2.gz SDBPJSYWFATSLE-UHFFFAOYSA-N 0 0 391.181 3.117 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCN(c3ccc(F)cc3)CC2)c(Br)c1 ZINC000301515999 565492564 /nfs/dbraw/zinc/49/25/64/565492564.db2.gz FKGAMZWTIVKIAD-UHFFFAOYSA-N 0 0 381.205 3.218 10 5 GGBERN O=[N+]([O-])c1cnc(N2CCC(COc3ccccn3)CC2)c(Br)c1 ZINC000301547960 565494679 /nfs/dbraw/zinc/49/46/79/565494679.db2.gz FTLPUJSHFLYIDY-UHFFFAOYSA-N 0 0 393.241 3.443 10 5 GGBERN CC(C)OC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301545606 565494840 /nfs/dbraw/zinc/49/48/40/565494840.db2.gz PHTJNEUINLCTAM-UHFFFAOYSA-N 0 0 387.234 3.174 10 5 GGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301561157 565496101 /nfs/dbraw/zinc/49/61/01/565496101.db2.gz UJPOEGAZCQPHPT-LLVKDONJSA-N 0 0 399.289 3.129 10 5 GGBERN COc1ccccc1N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301608337 565498405 /nfs/dbraw/zinc/49/84/05/565498405.db2.gz OOSYICHVESOXPA-LLVKDONJSA-N 0 0 393.241 3.452 10 5 GGBERN COc1ccccc1N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301608339 565498564 /nfs/dbraw/zinc/49/85/64/565498564.db2.gz OOSYICHVESOXPA-NSHDSACASA-N 0 0 393.241 3.452 10 5 GGBERN O=[N+]([O-])c1ccc(Br)cc1NCCc1nc(-c2ccco2)n[nH]1 ZINC000301644293 565501967 /nfs/dbraw/zinc/50/19/67/565501967.db2.gz CHHIENUFRUYSMZ-UHFFFAOYSA-N 0 0 378.186 3.390 10 5 GGBERN CCC(CC)(CNc1cc(Br)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000301666830 565503715 /nfs/dbraw/zinc/50/37/15/565503715.db2.gz MCKUFMIOMORCQV-UHFFFAOYSA-N 0 0 379.276 3.373 10 5 GGBERN CCNC(=O)N1CC[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301686303 565504697 /nfs/dbraw/zinc/50/46/97/565504697.db2.gz WZOAKEFDNYRBGR-MRVPVSSYSA-N 0 0 380.754 3.483 10 5 GGBERN Cc1ccnc(N2CCN(Cc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000301701011 565505511 /nfs/dbraw/zinc/50/55/11/565505511.db2.gz FSSIOBLDUIQGPK-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN C[C@H](Cc1ccc(F)c(Br)c1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301726495 565507296 /nfs/dbraw/zinc/50/72/96/565507296.db2.gz VJZJQHCJTQQAGB-MRVPVSSYSA-N 0 0 397.204 3.033 10 5 GGBERN COc1ccc(Br)cc1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000172846607 565507446 /nfs/dbraw/zinc/50/74/46/565507446.db2.gz LTGSTMFRDBMOMF-UHFFFAOYSA-N 0 0 379.210 3.225 10 5 GGBERN O=[N+]([O-])c1c(N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)nc2sccn21 ZINC000301784713 565509775 /nfs/dbraw/zinc/50/97/75/565509775.db2.gz OYQJEYDNGINOAU-LLVKDONJSA-N 0 0 379.829 3.400 10 5 GGBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1Br ZINC000301757323 565509931 /nfs/dbraw/zinc/50/99/31/565509931.db2.gz DZCWFYVUYFTMOK-UHFFFAOYSA-N 0 0 393.241 3.241 10 5 GGBERN CO[C@@H]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301791325 565510326 /nfs/dbraw/zinc/51/03/26/565510326.db2.gz RGHWEOOJNSYQJT-VHSXEESVSA-N 0 0 382.360 3.258 10 5 GGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H](c2ccsc2)O1 ZINC000301789982 565510682 /nfs/dbraw/zinc/51/06/82/565510682.db2.gz MZCABIPTIGPFPE-NHYWBVRUSA-N 0 0 382.463 3.026 10 5 GGBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301898689 565516509 /nfs/dbraw/zinc/51/65/09/565516509.db2.gz SKNCRWNAXMOCDK-LLVKDONJSA-N 0 0 399.289 3.129 10 5 GGBERN COc1c(C)cc(CN(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1C ZINC000301925975 565518548 /nfs/dbraw/zinc/51/85/48/565518548.db2.gz HEOYODCYHGCHEV-UHFFFAOYSA-N 0 0 384.479 3.322 10 5 GGBERN CCO[C@@H]1C[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000301924090 565519070 /nfs/dbraw/zinc/51/90/70/565519070.db2.gz FZZXIQYIYWRZRH-QWHCGFSZSA-N 0 0 388.511 3.234 10 5 GGBERN COc1ccc(Cl)cc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301933896 565519618 /nfs/dbraw/zinc/51/96/18/565519618.db2.gz NVNDTQZHUHLACM-UHFFFAOYSA-N 0 0 376.843 3.334 10 5 GGBERN CN(Cc1ccc(F)cc1Cl)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301940170 565519711 /nfs/dbraw/zinc/51/97/11/565519711.db2.gz UHFFQGFGCCFWCP-UHFFFAOYSA-N 0 0 378.834 3.489 10 5 GGBERN C[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000277781359 565519777 /nfs/dbraw/zinc/51/97/77/565519777.db2.gz WQSBXTGNUCTETH-MRVPVSSYSA-N 0 0 386.779 3.138 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000301936250 565519972 /nfs/dbraw/zinc/51/99/72/565519972.db2.gz RJZHCPFOHRLOLW-CQSZACIVSA-N 0 0 380.198 3.036 10 5 GGBERN C[C@@H](Cc1cccc(Br)c1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301960289 565521203 /nfs/dbraw/zinc/52/12/03/565521203.db2.gz HKVYKLMIMKPBMR-JTQLQIEISA-N 0 0 376.214 3.443 10 5 GGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277854468 565525232 /nfs/dbraw/zinc/52/52/32/565525232.db2.gz JOJLZDMVOHIMBG-RNCFNFMXSA-N 0 0 378.372 3.092 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccccc2Br)n1 ZINC000378406653 565525242 /nfs/dbraw/zinc/52/52/42/565525242.db2.gz UWDSAJQKOOKTCU-LBPRGKRZSA-N 0 0 379.214 3.068 10 5 GGBERN CSc1cccc(C(=O)N2CCC(Nc3nccs3)CC2)c1[N+](=O)[O-] ZINC000190397369 565528945 /nfs/dbraw/zinc/52/89/45/565528945.db2.gz BIEXPGHWXWWIEG-UHFFFAOYSA-N 0 0 378.479 3.490 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc(-c3cccs3)n2C)c1 ZINC000302089402 565529113 /nfs/dbraw/zinc/52/91/13/565529113.db2.gz LPTSJCDVLJSSBE-UHFFFAOYSA-N 0 0 376.419 3.390 10 5 GGBERN NS(=O)(=O)c1cccc(NCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000302148438 565532925 /nfs/dbraw/zinc/53/29/25/565532925.db2.gz SGXNFNFGISTCHN-UHFFFAOYSA-N 0 0 376.221 3.161 10 5 GGBERN CC[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000302176992 565534899 /nfs/dbraw/zinc/53/48/99/565534899.db2.gz NASLSJBEKQOUNQ-SECBINFHSA-N 0 0 380.451 3.499 10 5 GGBERN COC(=O)c1ccc(F)c(CNc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC000302183848 565535053 /nfs/dbraw/zinc/53/50/53/565535053.db2.gz ORWYUCPDOCZPFU-UHFFFAOYSA-N 0 0 384.161 3.290 10 5 GGBERN CS(=O)(=O)c1ccc(Sc2nnc(C(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC000302470663 565542634 /nfs/dbraw/zinc/54/26/34/565542634.db2.gz CVWJQUHPSMUYMY-UHFFFAOYSA-N 0 0 385.370 3.020 10 5 GGBERN Cc1cccc(N2CCN(c3ccc(Br)cn3)CC2)c1[N+](=O)[O-] ZINC000302498809 565543757 /nfs/dbraw/zinc/54/37/57/565543757.db2.gz NQFOLOKMVISJSI-UHFFFAOYSA-N 0 0 377.242 3.387 10 5 GGBERN CCC1(CC)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000302479524 565543769 /nfs/dbraw/zinc/54/37/69/565543769.db2.gz WCXMBOVCZMAJDY-UHFFFAOYSA-N 0 0 380.388 3.407 10 5 GGBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)c1[N+](=O)[O-] ZINC000190623009 565546264 /nfs/dbraw/zinc/54/62/64/565546264.db2.gz NGRJQTXDWYYIDP-QMMMGPOBSA-N 0 0 397.229 3.142 10 5 GGBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000302560926 565546676 /nfs/dbraw/zinc/54/66/76/565546676.db2.gz MUGDVUMBIBLBMW-VIFPVBQESA-N 0 0 377.392 3.379 10 5 GGBERN Cc1csc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)n1 ZINC000302663711 565548518 /nfs/dbraw/zinc/54/85/18/565548518.db2.gz PNDCQBVXVIDLRN-LBPRGKRZSA-N 0 0 381.479 3.147 10 5 GGBERN Cc1cc(N2CCC[C@H](NC(=O)C(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302681352 565549727 /nfs/dbraw/zinc/54/97/27/565549727.db2.gz PCJCSYKGEIQKMW-LBPRGKRZSA-N 0 0 384.274 3.407 10 5 GGBERN COC(=O)c1cnc(Nc2ccc(Cl)c(C[S@](C)=O)c2)c([N+](=O)[O-])c1 ZINC000302769766 565555242 /nfs/dbraw/zinc/55/52/42/565555242.db2.gz MQDCAKLEONSVQB-VWLOTQADSA-N 0 0 383.813 3.052 10 5 GGBERN COC(=O)c1cnc(N2CCc3cccc(Br)c3C2)c([N+](=O)[O-])c1 ZINC000302777422 565555895 /nfs/dbraw/zinc/55/58/95/565555895.db2.gz PLAXKMJJQAJEGB-UHFFFAOYSA-N 0 0 392.209 3.102 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278408829 565556231 /nfs/dbraw/zinc/55/62/31/565556231.db2.gz YJZWXPZTGLTQSG-TVQRCGJNSA-N 0 0 380.750 3.332 10 5 GGBERN C[C@@H]1COCC[C@@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000278553564 565565392 /nfs/dbraw/zinc/56/53/92/565565392.db2.gz OTYBFPLWXAFNTB-KOLCDFICSA-N 0 0 378.372 3.247 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000278835319 565580024 /nfs/dbraw/zinc/58/00/24/565580024.db2.gz VNFWNZWITLEZTP-LBPRGKRZSA-N 0 0 376.722 3.324 10 5 GGBERN C[C@@H](COCc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173795226 565587580 /nfs/dbraw/zinc/58/75/80/565587580.db2.gz VXLQZRYFUQXIBI-LBPRGKRZSA-N 0 0 384.841 3.132 10 5 GGBERN C[C@H](COCc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173795241 565587776 /nfs/dbraw/zinc/58/77/76/565587776.db2.gz VXLQZRYFUQXIBI-GFCCVEGCSA-N 0 0 384.841 3.132 10 5 GGBERN Cc1csc([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)n1 ZINC000173820702 565590170 /nfs/dbraw/zinc/59/01/70/565590170.db2.gz ALPTWUBEPCYADT-NSHDSACASA-N 0 0 385.442 3.067 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000173862382 565594365 /nfs/dbraw/zinc/59/43/65/565594365.db2.gz XFWZCEYNDYHYKB-GFCCVEGCSA-N 0 0 384.504 3.459 10 5 GGBERN CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)C[C@]2(CCOC2)O1 ZINC000408337687 565604314 /nfs/dbraw/zinc/60/43/14/565604314.db2.gz VTIGZLHYKPTYOO-LRDDRELGSA-N 0 0 385.258 3.440 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000408387665 565607353 /nfs/dbraw/zinc/60/73/53/565607353.db2.gz XNYZGVYYRRCSRS-MRXNPFEDSA-N 0 0 383.242 3.390 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCSC2(CCCCC2)C1 ZINC000408390068 565607514 /nfs/dbraw/zinc/60/75/14/565607514.db2.gz QWFAIGUCIWLEQG-UHFFFAOYSA-N 0 0 386.495 3.044 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000408436974 565609800 /nfs/dbraw/zinc/60/98/00/565609800.db2.gz MTNBBUPVJNZHFY-UHFFFAOYSA-N 0 0 389.271 3.373 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCC12CCC2 ZINC000408436529 565609913 /nfs/dbraw/zinc/60/99/13/565609913.db2.gz DEAAAQCLRJNOIV-UHFFFAOYSA-N 0 0 375.244 3.065 10 5 GGBERN Cc1sc(C(=O)NCCCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000279409826 565611550 /nfs/dbraw/zinc/61/15/50/565611550.db2.gz MGMYGXXMJNYTIH-UHFFFAOYSA-N 0 0 387.259 3.134 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Br)cc2Cl)n1 ZINC000191577881 565614893 /nfs/dbraw/zinc/61/48/93/565614893.db2.gz HRZVTFMRRALFOM-UHFFFAOYSA-N 0 0 387.621 3.157 10 5 GGBERN CCOc1ccc(Br)cc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191596948 565615548 /nfs/dbraw/zinc/61/55/48/565615548.db2.gz PNXSVJSIGCBFNP-UHFFFAOYSA-N 0 0 383.202 3.225 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)n1 ZINC000191674897 565620789 /nfs/dbraw/zinc/62/07/89/565620789.db2.gz PQSLWYAABVNQJG-VIFPVBQESA-N 0 0 399.220 3.074 10 5 GGBERN CCOc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1Br ZINC000191717786 565624009 /nfs/dbraw/zinc/62/40/09/565624009.db2.gz MCTAKQBTMCZFBZ-UHFFFAOYSA-N 0 0 383.202 3.225 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)c(C)cc2OC)n1 ZINC000191710655 565624471 /nfs/dbraw/zinc/62/44/71/565624471.db2.gz XYOGOLBNOPRPRN-UHFFFAOYSA-N 0 0 383.202 3.143 10 5 GGBERN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])nc1 ZINC000409667576 565631562 /nfs/dbraw/zinc/63/15/62/565631562.db2.gz TYWNKNDKDTWUQD-UHFFFAOYSA-N 0 0 383.235 3.439 10 5 GGBERN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C)c1Cl ZINC000327801688 565633199 /nfs/dbraw/zinc/63/31/99/565633199.db2.gz IPDZNHOAZLMBPV-UHFFFAOYSA-N 0 0 384.797 3.144 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCC[C@H]1C(F)F ZINC000409907607 565648930 /nfs/dbraw/zinc/64/89/30/565648930.db2.gz RGJLQIYVOWADAB-VIFPVBQESA-N 0 0 399.213 3.166 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCc1cccc2[nH]ccc21 ZINC000409925743 565649920 /nfs/dbraw/zinc/64/99/20/565649920.db2.gz FBXXNXJOEPZTRE-UHFFFAOYSA-N 0 0 379.825 3.251 10 5 GGBERN Cc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000192036153 565651605 /nfs/dbraw/zinc/65/16/05/565651605.db2.gz SFEWUWABTRVCCC-HNNXBMFYSA-N 0 0 382.463 3.035 10 5 GGBERN CO[C@]1(C)CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000280222647 565660065 /nfs/dbraw/zinc/66/00/65/565660065.db2.gz KZDGTJGQLMEBQH-OAHLLOKOSA-N 0 0 376.862 3.136 10 5 GGBERN O=C(NCc1cc(Cl)ccc1N1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000410048745 565660935 /nfs/dbraw/zinc/66/09/35/565660935.db2.gz VTTHVAKEUFNMKF-UHFFFAOYSA-N 0 0 381.841 3.076 10 5 GGBERN Cc1c(NC(=O)N(C)Cc2nccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000280412733 565670593 /nfs/dbraw/zinc/67/05/93/565670593.db2.gz AAVNHOFDBAGOGZ-UHFFFAOYSA-N 0 0 382.218 3.063 10 5 GGBERN O=C(Nc1ccc(N2CCC2=O)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000410244885 565672337 /nfs/dbraw/zinc/67/23/37/565672337.db2.gz QROXCJCXLGIVMZ-UHFFFAOYSA-N 0 0 396.222 3.408 10 5 GGBERN Cc1nn(C)c(C)c1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280501462 565676271 /nfs/dbraw/zinc/67/62/71/565676271.db2.gz DUJABQZXATYPCY-UHFFFAOYSA-N 0 0 381.230 3.197 10 5 GGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192362183 565682013 /nfs/dbraw/zinc/68/20/13/565682013.db2.gz OVJKOBWZFSAGEV-LBPRGKRZSA-N 0 0 393.241 3.167 10 5 GGBERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192362189 565682297 /nfs/dbraw/zinc/68/22/97/565682297.db2.gz OVJKOBWZFSAGEV-GFCCVEGCSA-N 0 0 393.241 3.167 10 5 GGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000175192968 565684051 /nfs/dbraw/zinc/68/40/51/565684051.db2.gz GWELQFBJTKEFNY-NXEZZACHSA-N 0 0 388.205 3.460 10 5 GGBERN Cc1c(NC(=O)NCCOCC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000280660638 565686913 /nfs/dbraw/zinc/68/69/13/565686913.db2.gz DFYBGQVETCKTFE-UHFFFAOYSA-N 0 0 382.161 3.069 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CCC[C@H]2CCO)cc(Br)cc1[N+](=O)[O-] ZINC000280684183 565688199 /nfs/dbraw/zinc/68/81/99/565688199.db2.gz GDVNWHQXCDYQPP-JQWIXIFHSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1c(NC(=O)N2CCC(C)(CO)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280705273 565690301 /nfs/dbraw/zinc/69/03/01/565690301.db2.gz IDYRXBJBLQVLFW-UHFFFAOYSA-N 0 0 386.246 3.292 10 5 GGBERN Cc1c(NC(=O)NCCCc2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000280744197 565692515 /nfs/dbraw/zinc/69/25/15/565692515.db2.gz LYGXYTRAGFLISX-UHFFFAOYSA-N 0 0 396.245 3.154 10 5 GGBERN Cc1c(NC(=O)N(CC(C)(C)O)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280751024 565693650 /nfs/dbraw/zinc/69/36/50/565693650.db2.gz MNJJZJCAVCUTHV-UHFFFAOYSA-N 0 0 386.246 3.433 10 5 GGBERN CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280764665 565694350 /nfs/dbraw/zinc/69/43/50/565694350.db2.gz QZHFOVWFANUSLY-CYBMUJFWSA-N 0 0 398.257 3.395 10 5 GGBERN COC[C@@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000175347984 565695209 /nfs/dbraw/zinc/69/52/09/565695209.db2.gz YDLSPUUFNYJCNK-CYBMUJFWSA-N 0 0 388.829 3.124 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@H](O)C(C)(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280791010 565695413 /nfs/dbraw/zinc/69/54/13/565695413.db2.gz QCSGKSWOHJHNBB-CYBMUJFWSA-N 0 0 386.246 3.290 10 5 GGBERN CC[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)N1CCCC1=O ZINC000280806968 565696698 /nfs/dbraw/zinc/69/66/98/565696698.db2.gz VJDWSZKTQNOEBY-LBPRGKRZSA-N 0 0 384.230 3.005 10 5 GGBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000411017084 565704511 /nfs/dbraw/zinc/70/45/11/565704511.db2.gz BDVHCZUBKHRFRX-YPMHNXCESA-N 0 0 399.241 3.209 10 5 GGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000281006832 565707482 /nfs/dbraw/zinc/70/74/82/565707482.db2.gz DUYFEHGEXYCPQI-ZDUSSCGKSA-N 0 0 393.241 3.458 10 5 GGBERN CC(C)COC1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000281099915 565712347 /nfs/dbraw/zinc/71/23/47/565712347.db2.gz FFYKNOKAJONECK-UHFFFAOYSA-N 0 0 394.852 3.213 10 5 GGBERN Cc1cnc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000175620232 565712562 /nfs/dbraw/zinc/71/25/62/565712562.db2.gz IFNXDLBEOLFHFL-SECBINFHSA-N 0 0 375.859 3.361 10 5 GGBERN CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1O ZINC000330711961 565720031 /nfs/dbraw/zinc/72/00/31/565720031.db2.gz ASSHNBPRCYWUSD-UKRRQHHQSA-N 0 0 399.285 3.155 10 5 GGBERN Cc1c(NC(=O)C(=O)NC2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000281257494 565720135 /nfs/dbraw/zinc/72/01/35/565720135.db2.gz VGPQEFSFFVIKAV-UHFFFAOYSA-N 0 0 384.230 3.053 10 5 GGBERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000281341924 565724392 /nfs/dbraw/zinc/72/43/92/565724392.db2.gz RLDNEWAUYGMTIJ-AWEZNQCLSA-N 0 0 393.241 3.458 10 5 GGBERN CC1(C)CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000331115166 565740109 /nfs/dbraw/zinc/74/01/09/565740109.db2.gz VDPDMVBPRIAETF-NSHDSACASA-N 0 0 384.351 3.333 10 5 GGBERN CN(C(=O)[C@H]1Cc2cc(Br)ccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000193480242 565755403 /nfs/dbraw/zinc/75/54/03/565755403.db2.gz CNRNMXJEMSXUAL-OAHLLOKOSA-N 0 0 377.194 3.324 10 5 GGBERN CN1CCOc2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc21 ZINC000176189625 565755840 /nfs/dbraw/zinc/75/58/40/565755840.db2.gz BULLQHXWZNKEQI-UHFFFAOYSA-N 0 0 392.209 3.438 10 5 GGBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC=C(Br)C1 ZINC000282154205 565767215 /nfs/dbraw/zinc/76/72/15/565767215.db2.gz INZDOCIRXUSNRR-UHFFFAOYSA-N 0 0 377.141 3.321 10 5 GGBERN Cc1c(NC(=O)[C@H]2CCc3cnn(C)c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000282406948 565778086 /nfs/dbraw/zinc/77/80/86/565778086.db2.gz YWEYZPGPDVGECG-JTQLQIEISA-N 0 0 393.241 3.143 10 5 GGBERN CCOC(=O)CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000193823910 565778437 /nfs/dbraw/zinc/77/84/37/565778437.db2.gz VQUNDFNQWUPGLL-UHFFFAOYSA-N 0 0 387.230 3.161 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000412468764 565790580 /nfs/dbraw/zinc/79/05/80/565790580.db2.gz XJUKVVIJHNDVIR-HNNXBMFYSA-N 0 0 383.242 3.307 10 5 GGBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1ccc(Br)c(F)c1 ZINC000176723865 565798676 /nfs/dbraw/zinc/79/86/76/565798676.db2.gz MOTVCHLNPYQBFR-UHFFFAOYSA-N 0 0 378.157 3.255 10 5 GGBERN CN(C)c1ncccc1N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176780010 565801891 /nfs/dbraw/zinc/80/18/91/565801891.db2.gz JPOULEIYAPDCNE-UHFFFAOYSA-N 0 0 379.214 3.095 10 5 GGBERN O=C(NCc1cnc(Cl)s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000283189260 565812098 /nfs/dbraw/zinc/81/20/98/565812098.db2.gz HVNXAKKTOOGSAJ-UHFFFAOYSA-N 0 0 380.857 3.238 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000194433512 565814585 /nfs/dbraw/zinc/81/45/85/565814585.db2.gz MCCVOCVYDQWFBX-XJKSGUPXSA-N 0 0 382.463 3.103 10 5 GGBERN CC(C)Cn1ccnc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177345213 565844415 /nfs/dbraw/zinc/84/44/15/565844415.db2.gz XTFHSVXPTUSHLC-UHFFFAOYSA-N 0 0 381.230 3.140 10 5 GGBERN C[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1cccnc1 ZINC000284318034 565849422 /nfs/dbraw/zinc/84/94/22/565849422.db2.gz AZGFEYAIKBLKIJ-NSHDSACASA-N 0 0 390.237 3.441 10 5 GGBERN CC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCS1(=O)=O ZINC000194960602 565850875 /nfs/dbraw/zinc/85/08/75/565850875.db2.gz RWERGXROKHGRMW-UHFFFAOYSA-N 0 0 380.388 3.013 10 5 GGBERN CN(C)S(=O)(=O)c1ccc(NC2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000413457021 565853677 /nfs/dbraw/zinc/85/36/77/565853677.db2.gz YIHQHSOREUHGJD-UHFFFAOYSA-N 0 0 377.413 3.081 10 5 GGBERN CC(C)C1(c2ccccc2)CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000413554546 565859757 /nfs/dbraw/zinc/85/97/57/565859757.db2.gz NSJGLFNAJIWTST-UHFFFAOYSA-N 0 0 380.491 3.474 10 5 GGBERN COCc1c(Br)cccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195358965 565878021 /nfs/dbraw/zinc/87/80/21/565878021.db2.gz DHWYZHNOVIKBBL-UHFFFAOYSA-N 0 0 380.198 3.459 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(NCc2nnc(-c3ccc(Br)cc3)[nH]2)n1 ZINC000178207747 565905485 /nfs/dbraw/zinc/90/54/85/565905485.db2.gz NEJGDKWGEMFHKY-UHFFFAOYSA-N 0 0 389.213 3.458 10 5 GGBERN Cc1sc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000178223954 565906955 /nfs/dbraw/zinc/90/69/55/565906955.db2.gz YGRDUBMRKIZLKI-LBPRGKRZSA-N 0 0 379.825 3.153 10 5 GGBERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000178323796 565912027 /nfs/dbraw/zinc/91/20/27/565912027.db2.gz PJULCJAMBGXKBK-SNVBAGLBSA-N 0 0 399.241 3.161 10 5 GGBERN O=[N+]([O-])c1c(Oc2ccc(I)nc2)nc2ccccn21 ZINC000225472479 565914614 /nfs/dbraw/zinc/91/46/14/565914614.db2.gz MFOPWLPZZNMSAO-UHFFFAOYSA-N 0 0 382.117 3.034 10 5 GGBERN Cn1nccc1C1=CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000285595946 565916183 /nfs/dbraw/zinc/91/61/83/565916183.db2.gz FKDUEJFFNIZPAC-UHFFFAOYSA-N 0 0 391.225 3.020 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1NCC1CCC(O)CC1 ZINC000227715376 565923728 /nfs/dbraw/zinc/92/37/28/565923728.db2.gz DTLFIZDXWOMOBK-UHFFFAOYSA-N 0 0 376.194 3.162 10 5 GGBERN COc1ccc(Cl)cc1CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178622223 565929038 /nfs/dbraw/zinc/92/90/38/565929038.db2.gz QPHGRVUGZLJFOR-UHFFFAOYSA-N 0 0 384.841 3.219 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCSc2ccc(F)cc2)c1 ZINC000178615160 565929660 /nfs/dbraw/zinc/92/96/60/565929660.db2.gz INRJRYOJGNBRTP-UHFFFAOYSA-N 0 0 384.454 3.336 10 5 GGBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000178947792 565948317 /nfs/dbraw/zinc/94/83/17/565948317.db2.gz CUYYOGXWPZXCLR-INIZCTEOSA-N 0 0 380.853 3.398 10 5 GGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000178947817 565948982 /nfs/dbraw/zinc/94/89/82/565948982.db2.gz SWMGTVWWPJUCCF-KRWDZBQOSA-N 0 0 380.853 3.398 10 5 GGBERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000360808761 565961977 /nfs/dbraw/zinc/96/19/77/565961977.db2.gz GKTGWXKUEWOUJK-UHOFOFEASA-N 0 0 385.258 3.126 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1CC(F)F ZINC000286785328 565979658 /nfs/dbraw/zinc/97/96/58/565979658.db2.gz SMKGZANQFQABNA-SNVBAGLBSA-N 0 0 393.184 3.162 10 5 GGBERN CN1C(=O)C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000179466166 565981606 /nfs/dbraw/zinc/98/16/06/565981606.db2.gz VTHYZYDYCQAJQU-SWLSCSKDSA-N 0 0 379.825 3.012 10 5 GGBERN CN1C(=O)C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000179466144 565982181 /nfs/dbraw/zinc/98/21/81/565982181.db2.gz VTHYZYDYCQAJQU-IUODEOHRSA-N 0 0 379.825 3.012 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@@H]1CC(F)F ZINC000286838671 565982615 /nfs/dbraw/zinc/98/26/15/565982615.db2.gz ZEZAGXKNLFDWEN-JTQLQIEISA-N 0 0 380.800 3.223 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1CC(F)F ZINC000286838677 565982870 /nfs/dbraw/zinc/98/28/70/565982870.db2.gz ZEZAGXKNLFDWEN-SNVBAGLBSA-N 0 0 380.800 3.223 10 5 GGBERN Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245529945 565994170 /nfs/dbraw/zinc/99/41/70/565994170.db2.gz WYGPYDAAAOZVOA-GWCFXTLKSA-N 0 0 384.274 3.220 10 5 GGBERN Cc1cc([N+](=O)[O-])cn(Cc2cc3c(cc2Br)OCCCO3)c1=O ZINC000179691545 566000352 /nfs/dbraw/zinc/00/03/52/566000352.db2.gz WOMVYPNRYGZRFF-UHFFFAOYSA-N 0 0 395.209 3.037 10 5 GGBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1c(F)cccc1Br ZINC000179722400 566003808 /nfs/dbraw/zinc/00/38/08/566003808.db2.gz UFPSNEXBPOICFN-UHFFFAOYSA-N 0 0 378.157 3.255 10 5 GGBERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc([N+](=O)[O-])ccc1Br ZINC000245773041 566006479 /nfs/dbraw/zinc/00/64/79/566006479.db2.gz GSIPAGIKXZTSOD-LERXQTSPSA-N 0 0 381.226 3.045 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000287277150 566009089 /nfs/dbraw/zinc/00/90/89/566009089.db2.gz YQNPIUVMHXLNAN-ZDUSSCGKSA-N 0 0 379.214 3.366 10 5 GGBERN O=C1CCCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000245985514 566013268 /nfs/dbraw/zinc/01/32/68/566013268.db2.gz PYBIDWCATDHIQI-OLZOCXBDSA-N 0 0 386.857 3.161 10 5 GGBERN Cc1ccnc(C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)n1 ZINC000363778512 566020885 /nfs/dbraw/zinc/02/08/85/566020885.db2.gz NGGKFSKNSLPBJU-UHFFFAOYSA-N 0 0 378.230 3.235 10 5 GGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000180076984 566030258 /nfs/dbraw/zinc/03/02/58/566030258.db2.gz DDPCPAOWZZCXHM-HNNXBMFYSA-N 0 0 381.479 3.151 10 5 GGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000180076956 566030306 /nfs/dbraw/zinc/03/03/06/566030306.db2.gz DDPCPAOWZZCXHM-OAHLLOKOSA-N 0 0 381.479 3.151 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)cc([N+](=O)[O-])c1F ZINC000180104029 566032815 /nfs/dbraw/zinc/03/28/15/566032815.db2.gz BAZPFPZTWOMMEC-LBPRGKRZSA-N 0 0 385.442 3.415 10 5 GGBERN COCCN(Cc1cccs1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416367000 566057039 /nfs/dbraw/zinc/05/70/39/566057039.db2.gz CSFXSVTVGWAITN-UHFFFAOYSA-N 0 0 384.479 3.110 10 5 GGBERN Cc1csc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000416394065 566062032 /nfs/dbraw/zinc/06/20/32/566062032.db2.gz XWMOUZNMOOVNDF-MRVPVSSYSA-N 0 0 395.384 3.418 10 5 GGBERN Cc1cc(S(=O)(=O)NC2(c3nccs3)CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416399981 566062264 /nfs/dbraw/zinc/06/22/64/566062264.db2.gz PYHVZUORMBYDHU-UHFFFAOYSA-N 0 0 381.479 3.416 10 5 GGBERN Cc1csc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000416394068 566062524 /nfs/dbraw/zinc/06/25/24/566062524.db2.gz XWMOUZNMOOVNDF-QMMMGPOBSA-N 0 0 395.384 3.418 10 5 GGBERN Cc1ccc2c(n1)OCCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000180436416 566062612 /nfs/dbraw/zinc/06/26/12/566062612.db2.gz BBNZATHQUZMWMT-UHFFFAOYSA-N 0 0 378.182 3.100 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCCC(F)(F)C1 ZINC000416432148 566066826 /nfs/dbraw/zinc/06/68/26/566066826.db2.gz JNQLYJQHUUKANT-VIFPVBQESA-N 0 0 388.314 3.470 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)c(C)cc1[N+](=O)[O-] ZINC000416428282 566067274 /nfs/dbraw/zinc/06/72/74/566067274.db2.gz TXGMPYMUSZRWEN-OAHLLOKOSA-N 0 0 382.463 3.035 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000416432147 566067334 /nfs/dbraw/zinc/06/73/34/566067334.db2.gz JNQLYJQHUUKANT-SECBINFHSA-N 0 0 388.314 3.470 10 5 GGBERN CSc1ccc(S(=O)(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1Cl ZINC000416452375 566069789 /nfs/dbraw/zinc/06/97/89/566069789.db2.gz CFCKEPDRDRLNDQ-UHFFFAOYSA-N 0 0 399.881 3.112 10 5 GGBERN Cn1cc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)cn1 ZINC000180561372 566072677 /nfs/dbraw/zinc/07/26/77/566072677.db2.gz BPFFDFZFFYBPLX-LBPRGKRZSA-N 0 0 379.214 3.068 10 5 GGBERN COc1cc(S(=O)(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000416480365 566073877 /nfs/dbraw/zinc/07/38/77/566073877.db2.gz QOXKRMFEWHADEU-UHFFFAOYSA-N 0 0 384.841 3.120 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC1(C(F)(F)F)CC1 ZINC000416491423 566075067 /nfs/dbraw/zinc/07/50/67/566075067.db2.gz YYNQTTZAEGCBNO-UHFFFAOYSA-N 0 0 392.277 3.234 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000416503081 566077380 /nfs/dbraw/zinc/07/73/80/566077380.db2.gz NWIBIMNEIMRNPC-LLVKDONJSA-N 0 0 376.862 3.040 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@@H]1C(F)F ZINC000416517975 566079928 /nfs/dbraw/zinc/07/99/28/566079928.db2.gz BZFAQZKETDNPFK-SECBINFHSA-N 0 0 388.314 3.422 10 5 GGBERN C[C@H](Cc1ccc(Br)cc1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180660994 566080611 /nfs/dbraw/zinc/08/06/11/566080611.db2.gz ZBFPFXDWIWXVJK-SNVBAGLBSA-N 0 0 378.226 3.301 10 5 GGBERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1Br ZINC000248845341 566090448 /nfs/dbraw/zinc/09/04/48/566090448.db2.gz RKRXZVZXAFFZHF-KCPJHIHWSA-N 0 0 395.253 3.435 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000416627986 566097230 /nfs/dbraw/zinc/09/72/30/566097230.db2.gz FWYCDWMLUWSTEV-UHFFFAOYSA-N 0 0 383.857 3.208 10 5 GGBERN C[C@@H]1CC(C)(C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416624198 566097256 /nfs/dbraw/zinc/09/72/56/566097256.db2.gz ZBXINNFSLXHOPG-SECBINFHSA-N 0 0 377.260 3.166 10 5 GGBERN CCc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181076567 566111744 /nfs/dbraw/zinc/11/17/44/566111744.db2.gz QMYPAGBLVOTFKS-OAHLLOKOSA-N 0 0 393.237 3.383 10 5 GGBERN O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000181080118 566112401 /nfs/dbraw/zinc/11/24/01/566112401.db2.gz MRUZKJZKMUQPHY-CQSZACIVSA-N 0 0 399.628 3.474 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000181113884 566115886 /nfs/dbraw/zinc/11/58/86/566115886.db2.gz ZFQQJNDUMQSKIU-OAHLLOKOSA-N 0 0 379.210 3.129 10 5 GGBERN Cn1nccc1C1=CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000289331414 566117804 /nfs/dbraw/zinc/11/78/04/566117804.db2.gz JIDUQOUNGOYRCV-UHFFFAOYSA-N 0 0 391.225 3.020 10 5 GGBERN Cc1c(NC(=O)N[C@@H]2CCC[C@@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000417073190 566123771 /nfs/dbraw/zinc/12/37/71/566123771.db2.gz JHGRNDCTFFDQKF-ZYHUDNBSSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1c(NC(=O)N[C@H]2CCC[C@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000417073186 566123929 /nfs/dbraw/zinc/12/39/29/566123929.db2.gz JHGRNDCTFFDQKF-JQWIXIFHSA-N 0 0 386.246 3.338 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCCC(F)(F)[C@@H]1O ZINC000417105938 566124837 /nfs/dbraw/zinc/12/48/37/566124837.db2.gz FOYUIIRYIQBYQS-WDEREUQCSA-N 0 0 394.172 3.028 10 5 GGBERN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@H](CC(F)(F)F)C2)cc1Cl ZINC000289748044 566137675 /nfs/dbraw/zinc/13/76/75/566137675.db2.gz GHNAJMKZQQWANI-SSDOTTSWSA-N 0 0 390.742 3.350 10 5 GGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181522584 566147572 /nfs/dbraw/zinc/14/75/72/566147572.db2.gz NZWVTPAMDMRDQE-SMDDNHRTSA-N 0 0 382.463 3.026 10 5 GGBERN Cc1cc(CN(C)Cc2cc(I)cc([N+](=O)[O-])c2)no1 ZINC000290102127 566157232 /nfs/dbraw/zinc/15/72/32/566157232.db2.gz WYQILYLIIFOASY-UHFFFAOYSA-N 0 0 387.177 3.128 10 5 GGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc(OC)c1Br ZINC000181732209 566162830 /nfs/dbraw/zinc/16/28/30/566162830.db2.gz UMUNWTCSIFUNJF-UHFFFAOYSA-N 0 0 396.197 3.330 10 5 GGBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)cn1 ZINC000182132122 566185717 /nfs/dbraw/zinc/18/57/17/566185717.db2.gz PNAHHKKYCLPBIE-UHFFFAOYSA-N 0 0 381.841 3.312 10 5 GGBERN CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCCC2 ZINC000367197736 566190425 /nfs/dbraw/zinc/19/04/25/566190425.db2.gz ZNAISVCGIGEAQJ-STQMWFEESA-N 0 0 398.257 3.220 10 5 GGBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000182883523 566228093 /nfs/dbraw/zinc/22/80/93/566228093.db2.gz CYXGVHARCSMJNE-LLVKDONJSA-N 0 0 385.442 3.067 10 5 GGBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@]3(C2)CCCOC3)c(Cl)cc1Cl ZINC000368131705 566231703 /nfs/dbraw/zinc/23/17/03/566231703.db2.gz BPPCXYLLXWDJRF-AWEZNQCLSA-N 0 0 395.264 3.093 10 5 GGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000368282748 566235036 /nfs/dbraw/zinc/23/50/36/566235036.db2.gz GSONVJVSAOAGOU-LBPRGKRZSA-N 0 0 388.873 3.136 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(OCC3CC3)CC2)c1 ZINC000368469063 566239919 /nfs/dbraw/zinc/23/99/19/566239919.db2.gz DFROTEANGVRGGT-UHFFFAOYSA-N 0 0 388.873 3.136 10 5 GGBERN O=C(C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000183236210 566241651 /nfs/dbraw/zinc/24/16/51/566241651.db2.gz CQSLKIVLLAWHES-CYBMUJFWSA-N 0 0 380.447 3.082 10 5 GGBERN Cc1cnn([C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)c1 ZINC000368674766 566244266 /nfs/dbraw/zinc/24/42/66/566244266.db2.gz CVWYZPFCPVXERX-ZDUSSCGKSA-N 0 0 394.229 3.341 10 5 GGBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C[C@H](C)c2nccs2)c1 ZINC000183339550 566244682 /nfs/dbraw/zinc/24/46/82/566244682.db2.gz MGUZYGHOVRBMTF-JTQLQIEISA-N 0 0 389.886 3.437 10 5 GGBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183371283 566245557 /nfs/dbraw/zinc/24/55/57/566245557.db2.gz PBQLYBATUKGSBA-LLVKDONJSA-N 0 0 395.217 3.235 10 5 GGBERN CCC(F)(F)C(C)(C)CS(=O)(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000599306724 566253110 /nfs/dbraw/zinc/25/31/10/566253110.db2.gz BVVJVWRHWPDTAK-UHFFFAOYSA-N 0 0 378.441 3.470 10 5 GGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599377117 566258919 /nfs/dbraw/zinc/25/89/19/566258919.db2.gz ZQXCUXHLOBAPOL-HYVNUMGLSA-N 0 0 378.837 3.006 10 5 GGBERN CC(C)CCO[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000599431974 566264339 /nfs/dbraw/zinc/26/43/39/566264339.db2.gz WLMJRUKQEFCTOK-JOCQHMNTSA-N 0 0 376.500 3.309 10 5 GGBERN COC(=O)c1ccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000555980250 566265507 /nfs/dbraw/zinc/26/55/07/566265507.db2.gz VOMOHZBXBUQPDL-UHFFFAOYSA-N 0 0 399.222 3.135 10 5 GGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC2(C(F)(F)F)CCCC2)cc1 ZINC000599502657 566270138 /nfs/dbraw/zinc/27/01/38/566270138.db2.gz DMUWHPCSHDEFJP-UHFFFAOYSA-N 0 0 380.388 3.179 10 5 GGBERN COc1ccc(S(=O)(=O)NCC2(C(F)(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000599503048 566270754 /nfs/dbraw/zinc/27/07/54/566270754.db2.gz PYUDHYGUWAZMRZ-UHFFFAOYSA-N 0 0 382.360 3.004 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(C(F)(F)F)CCCC1 ZINC000599502666 566270947 /nfs/dbraw/zinc/27/09/47/566270947.db2.gz DYMIOYHQTZGQDF-UHFFFAOYSA-N 0 0 382.360 3.004 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCCC2(CC2)CC1 ZINC000599509812 566272558 /nfs/dbraw/zinc/27/25/58/566272558.db2.gz RVNIEICTPMAQOV-UHFFFAOYSA-N 0 0 389.271 3.312 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCn3c(cc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000462285029 566275221 /nfs/dbraw/zinc/27/52/21/566275221.db2.gz FNEFODJCQDJULR-UHFFFAOYSA-N 0 0 377.447 3.124 10 5 GGBERN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CC2)c2ccc(Br)cc21 ZINC000599559467 566275810 /nfs/dbraw/zinc/27/58/10/566275810.db2.gz VVLUUNPHYXCQKY-UHFFFAOYSA-N 0 0 390.237 3.071 10 5 GGBERN CN(Cc1cccs1)C(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556288039 566281885 /nfs/dbraw/zinc/28/18/85/566281885.db2.gz PSAHZRMESXLKEA-UHFFFAOYSA-N 0 0 384.255 3.489 10 5 GGBERN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)NC(=O)Nc1ccccc1 ZINC000556287939 566282039 /nfs/dbraw/zinc/28/20/39/566282039.db2.gz OMBDBXRUUQDBBA-UHFFFAOYSA-N 0 0 393.197 3.118 10 5 GGBERN CCO[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000462325952 566282617 /nfs/dbraw/zinc/28/26/17/566282617.db2.gz IHTXXBCMEMMDQM-GJZGRUSLSA-N 0 0 388.873 3.183 10 5 GGBERN CC(C)(C)[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000599745497 566291532 /nfs/dbraw/zinc/29/15/32/566291532.db2.gz CDZTYZHHDRNFCS-MFKMUULPSA-N 0 0 385.258 3.226 10 5 GGBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000599743215 566291548 /nfs/dbraw/zinc/29/15/48/566291548.db2.gz BTFXLTKRKPTKTR-MRVPVSSYSA-N 0 0 379.157 3.201 10 5 GGBERN Cc1cccc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1Br ZINC000599742493 566291589 /nfs/dbraw/zinc/29/15/89/566291589.db2.gz HLRCBHBEPPVCLD-UHFFFAOYSA-N 0 0 390.237 3.188 10 5 GGBERN CCS(=O)(=O)c1ccc(Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1 ZINC000445480289 566293197 /nfs/dbraw/zinc/29/31/97/566293197.db2.gz LZCKHRSFHABIHZ-UHFFFAOYSA-N 0 0 379.419 3.091 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000599785587 566295441 /nfs/dbraw/zinc/29/54/41/566295441.db2.gz ZRPUSWXKTWJDKH-CUOATXAZSA-N 0 0 384.230 3.043 10 5 GGBERN CC1(C)CCC[C@](O)(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599799214 566296405 /nfs/dbraw/zinc/29/64/05/566296405.db2.gz XGFASHPMWWFPJZ-MRXNPFEDSA-N 0 0 385.258 3.418 10 5 GGBERN COc1cccc(F)c1[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000462407545 566297628 /nfs/dbraw/zinc/29/76/28/566297628.db2.gz KLEZVJONKMGFLJ-VIFPVBQESA-N 0 0 388.804 3.435 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC000462419949 566299730 /nfs/dbraw/zinc/29/97/30/566299730.db2.gz UCRWTGCVCZOIAN-LLVKDONJSA-N 0 0 385.873 3.195 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CC12CCSCC2 ZINC000420706407 566305146 /nfs/dbraw/zinc/30/51/46/566305146.db2.gz LCIKQBXQRYKWHF-JTQLQIEISA-N 0 0 376.887 3.060 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CC12CCSCC2 ZINC000420710341 566307277 /nfs/dbraw/zinc/30/72/77/566307277.db2.gz VIBMBUYUQPGHHZ-JTQLQIEISA-N 0 0 376.887 3.060 10 5 GGBERN CCC(F)(F)C(C)(C)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600044298 566310364 /nfs/dbraw/zinc/31/03/64/566310364.db2.gz OOPWMZNRSAYBSG-UHFFFAOYSA-N 0 0 377.775 3.374 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(CCOc1cc(F)cc(Br)c1)CC2 ZINC000445815763 566312906 /nfs/dbraw/zinc/31/29/06/566312906.db2.gz OINICDDHKLBUBX-UHFFFAOYSA-N 0 0 396.216 3.329 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(-c2nc(-c3cccnc3)no2)c1 ZINC000535735400 566321840 /nfs/dbraw/zinc/32/18/40/566321840.db2.gz ZXUULHPFMHPUBF-UHFFFAOYSA-N 0 0 394.128 3.311 10 5 GGBERN Cn1cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cn1 ZINC000446121176 566330919 /nfs/dbraw/zinc/33/09/19/566330919.db2.gz IUIHFZULQCZVTM-NSHDSACASA-N 0 0 377.710 3.407 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CC3)c3ccc(Br)cc32)n1 ZINC000600281991 566331135 /nfs/dbraw/zinc/33/11/35/566331135.db2.gz KMBZUVGCCTZHGP-UHFFFAOYSA-N 0 0 391.225 3.266 10 5 GGBERN Cc1cn(Cc2ccc(I)c(Cl)c2)nc1[N+](=O)[O-] ZINC000509743417 566333043 /nfs/dbraw/zinc/33/30/43/566333043.db2.gz BHQPHPVFBICHNJ-UHFFFAOYSA-N 0 0 377.569 3.406 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000462609337 566333496 /nfs/dbraw/zinc/33/34/96/566333496.db2.gz BHTXGXXXSSVGPQ-QMMMGPOBSA-N 0 0 395.245 3.375 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000462656402 566336783 /nfs/dbraw/zinc/33/67/83/566336783.db2.gz BRWCTXGXUSOELP-AWEZNQCLSA-N 0 0 378.903 3.319 10 5 GGBERN CCC(F)(F)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000600390696 566337290 /nfs/dbraw/zinc/33/72/90/566337290.db2.gz VXFIXQMTYBPFMX-UHFFFAOYSA-N 0 0 376.425 3.481 10 5 GGBERN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600507361 566342053 /nfs/dbraw/zinc/34/20/53/566342053.db2.gz CZNHZPBMLOLQRK-LBPRGKRZSA-N 0 0 379.214 3.366 10 5 GGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600483635 566342167 /nfs/dbraw/zinc/34/21/67/566342167.db2.gz VTBQLEPFQNADAP-JXQWACKNSA-N 0 0 382.507 3.223 10 5 GGBERN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600508725 566342546 /nfs/dbraw/zinc/34/25/46/566342546.db2.gz NCLCDDSIOSMEFI-ZDUSSCGKSA-N 0 0 379.214 3.366 10 5 GGBERN CCO[C@@H](C)c1nc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000462702077 566342727 /nfs/dbraw/zinc/34/27/27/566342727.db2.gz LDHWYPKIXQRVCS-VIFPVBQESA-N 0 0 391.496 3.031 10 5 GGBERN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000600510380 566343525 /nfs/dbraw/zinc/34/35/25/566343525.db2.gz WGRBXYCDDRIQSW-ZDUSSCGKSA-N 0 0 379.214 3.366 10 5 GGBERN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600508723 566343594 /nfs/dbraw/zinc/34/35/94/566343594.db2.gz NCLCDDSIOSMEFI-CYBMUJFWSA-N 0 0 379.214 3.366 10 5 GGBERN O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000600529704 566344827 /nfs/dbraw/zinc/34/48/27/566344827.db2.gz XZRRMSIACHIMMN-QWRGUYRKSA-N 0 0 379.356 3.306 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000462707503 566345189 /nfs/dbraw/zinc/34/51/89/566345189.db2.gz ZERHFMBOBJAKSY-UHFFFAOYSA-N 0 0 388.873 3.280 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](O)CC12CCC2 ZINC000421113356 566345341 /nfs/dbraw/zinc/34/53/41/566345341.db2.gz SCTLILKQGGIRHF-ZDUSSCGKSA-N 0 0 384.230 3.269 10 5 GGBERN COCCN(Cc1sccc1Br)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000482968443 566346118 /nfs/dbraw/zinc/34/61/18/566346118.db2.gz YTOHRZVUXFXRJP-UHFFFAOYSA-N 0 0 388.243 3.036 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000482983230 566348726 /nfs/dbraw/zinc/34/87/26/566348726.db2.gz NVZZVGCATCGXAJ-UHFFFAOYSA-N 0 0 399.266 3.362 10 5 GGBERN Cc1n[nH]c(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000600595926 566349098 /nfs/dbraw/zinc/34/90/98/566349098.db2.gz RQTMKVVDJPDOQK-CABZTGNLSA-N 0 0 393.241 3.407 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1(CO)CC2(CCC2)C1 ZINC000557039404 566355450 /nfs/dbraw/zinc/35/54/50/566355450.db2.gz CCPIYUGDVXUXSJ-UHFFFAOYSA-N 0 0 397.269 3.338 10 5 GGBERN Cn1cc(Cl)c(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 ZINC000421228529 566357325 /nfs/dbraw/zinc/35/73/25/566357325.db2.gz RMUCYFHXKFRKOJ-UHFFFAOYSA-N 0 0 382.829 3.213 10 5 GGBERN CSCCCN(c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000600668157 566357565 /nfs/dbraw/zinc/35/75/65/566357565.db2.gz STIFDBOBNMSYQB-UHFFFAOYSA-N 0 0 381.479 3.247 10 5 GGBERN CSCCCN(c1cccnc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000600667786 566357768 /nfs/dbraw/zinc/35/77/68/566357768.db2.gz LLZLWCNKVCHACA-UHFFFAOYSA-N 0 0 381.479 3.247 10 5 GGBERN Cc1[nH]nc2nc(C)cc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)c12 ZINC000557160827 566368507 /nfs/dbraw/zinc/36/85/07/566368507.db2.gz XPMBBYNAQVAJNM-UHFFFAOYSA-N 0 0 390.197 3.498 10 5 GGBERN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000557157071 566368734 /nfs/dbraw/zinc/36/87/34/566368734.db2.gz KNWVMQBTPBXIOA-UWVGGRQHSA-N 0 0 385.214 3.275 10 5 GGBERN CC1(C)[C@@H](O)CCN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462923414 566368857 /nfs/dbraw/zinc/36/88/57/566368857.db2.gz DFBUVBCCSFEXJO-LBPRGKRZSA-N 0 0 378.372 3.078 10 5 GGBERN CO[C@H](C)CN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447040786 566380937 /nfs/dbraw/zinc/38/09/37/566380937.db2.gz TXAVEVDAJKWGEG-SNVBAGLBSA-N 0 0 384.376 3.048 10 5 GGBERN NC(=O)c1ccc(SCc2nc(-c3ncsc3Cl)no2)c([N+](=O)[O-])c1 ZINC000463181676 566389444 /nfs/dbraw/zinc/38/94/44/566389444.db2.gz QPNSCRQNPKUNOM-UHFFFAOYSA-N 0 0 397.825 3.146 10 5 GGBERN C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccc([S@](C)=O)cc1 ZINC000601135951 566391901 /nfs/dbraw/zinc/39/19/01/566391901.db2.gz UHLSBRYBECCACS-NRYVIMAVSA-N 0 0 376.360 3.258 10 5 GGBERN C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccc([S@@](C)=O)cc1 ZINC000601135950 566391920 /nfs/dbraw/zinc/39/19/20/566391920.db2.gz UHLSBRYBECCACS-IWHNICOQSA-N 0 0 376.360 3.258 10 5 GGBERN CC(C)[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000447175710 566392196 /nfs/dbraw/zinc/39/21/96/566392196.db2.gz KUTIZLVEYBCSPW-JTQLQIEISA-N 0 0 377.260 3.024 10 5 GGBERN C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ncc(Br)cn1 ZINC000601167728 566393268 /nfs/dbraw/zinc/39/32/68/566393268.db2.gz CGBGJIQEMUJUPH-YFKPBYRVSA-N 0 0 395.139 3.073 10 5 GGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000601190165 566395486 /nfs/dbraw/zinc/39/54/86/566395486.db2.gz RMMQAXJHRHUCPF-NKWVEPMBSA-N 0 0 376.257 3.259 10 5 GGBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(Cc2nccs2)CC1 ZINC000601216875 566396590 /nfs/dbraw/zinc/39/65/90/566396590.db2.gz YCXDNLHPPLOUJU-UHFFFAOYSA-N 0 0 375.376 3.263 10 5 GGBERN COC[C@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000536705423 566396637 /nfs/dbraw/zinc/39/66/37/566396637.db2.gz STBKRXPLZRKLIH-HNNXBMFYSA-N 0 0 384.841 3.223 10 5 GGBERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000510616501 566399400 /nfs/dbraw/zinc/39/94/00/566399400.db2.gz OPGNICROOSEFPC-UHFFFAOYSA-N 0 0 380.447 3.038 10 5 GGBERN Cc1cc(S(=O)(=O)N(C)[C@H](C)c2sc(C)nc2C)c([N+](=O)[O-])s1 ZINC000601339807 566399889 /nfs/dbraw/zinc/39/98/89/566399889.db2.gz HRGBYZUKGLHZOF-SECBINFHSA-N 0 0 375.497 3.420 10 5 GGBERN Cc1cc(S(=O)(=O)N(C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])s1 ZINC000601341288 566400560 /nfs/dbraw/zinc/40/05/60/566400560.db2.gz AFCAZNRWQXIPRD-NSHDSACASA-N 0 0 387.508 3.428 10 5 GGBERN C[C@H]1C[C@@H](COc2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000447305510 566401302 /nfs/dbraw/zinc/40/13/02/566401302.db2.gz MDPZIJLYKKIDMS-UWVGGRQHSA-N 0 0 377.178 3.393 10 5 GGBERN Cc1cc(S(=O)(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601370775 566402764 /nfs/dbraw/zinc/40/27/64/566402764.db2.gz WSTCGJTXPHWMGC-CABZTGNLSA-N 0 0 388.492 3.177 10 5 GGBERN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)C[C@@H]2CCC2(F)F)cc1 ZINC000601383333 566402966 /nfs/dbraw/zinc/40/29/66/566402966.db2.gz PIWFRZODBNTFKN-AAEUAGOBSA-N 0 0 378.422 3.017 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC(=O)C[C@H]2c2ccccc2)c([N+](=O)[O-])s1 ZINC000601418718 566404190 /nfs/dbraw/zinc/40/41/90/566404190.db2.gz ZSKDSDCFIABFPF-AWEZNQCLSA-N 0 0 380.447 3.060 10 5 GGBERN CCn1ccnc1[C@H]1CCCCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601410204 566404216 /nfs/dbraw/zinc/40/42/16/566404216.db2.gz BLAHSJBNAWFTEK-GFCCVEGCSA-N 0 0 384.483 3.097 10 5 GGBERN Cc1ccnc([C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000601459312 566408612 /nfs/dbraw/zinc/40/86/12/566408612.db2.gz AEUDQQRVJZJUCH-LBPRGKRZSA-N 0 0 381.841 3.130 10 5 GGBERN Cc1cc(S(=O)(=O)N2CCC(Cc3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000601496460 566409982 /nfs/dbraw/zinc/40/99/82/566409982.db2.gz FNIMVGNCTFQNRY-UHFFFAOYSA-N 0 0 381.479 3.003 10 5 GGBERN O=C(Cc1cnn2c1CCCC2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000601566626 566412592 /nfs/dbraw/zinc/41/25/92/566412592.db2.gz USEYEWZNCOHDDZ-UHFFFAOYSA-N 0 0 379.214 3.071 10 5 GGBERN C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)c1ccccc1[N+](=O)[O-] ZINC000537036486 566418868 /nfs/dbraw/zinc/41/88/68/566418868.db2.gz FFISRUNYQPWFET-VFZGTOFNSA-N 0 0 396.216 3.374 10 5 GGBERN O=C(N[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1I ZINC000601701830 566419140 /nfs/dbraw/zinc/41/91/40/566419140.db2.gz ABMNJWSCGPKDBJ-GFCCVEGCSA-N 0 0 386.189 3.262 10 5 GGBERN C[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)c1ccccc1[N+](=O)[O-] ZINC000537036484 566419492 /nfs/dbraw/zinc/41/94/92/566419492.db2.gz FFISRUNYQPWFET-PSLIRLAXSA-N 0 0 396.216 3.374 10 5 GGBERN CSc1ccc(C(=O)N=c2ccn(C3CCSCC3)[nH]2)cc1[N+](=O)[O-] ZINC000601716144 566420128 /nfs/dbraw/zinc/42/01/28/566420128.db2.gz ZSXNFWOZLOEYPC-UHFFFAOYSA-N 0 0 378.479 3.256 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N=c1ccn(C2CCSCC2)[nH]1 ZINC000601715944 566420213 /nfs/dbraw/zinc/42/02/13/566420213.db2.gz URSLHYAXKWEVGK-UHFFFAOYSA-N 0 0 380.857 3.116 10 5 GGBERN COc1ccc(Br)c(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000447669860 566420253 /nfs/dbraw/zinc/42/02/53/566420253.db2.gz HLYCKIOEUBGOFD-UHFFFAOYSA-N 0 0 377.198 3.276 10 5 GGBERN CCn1nc(C)c(CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C ZINC000601703984 566420358 /nfs/dbraw/zinc/42/03/58/566420358.db2.gz YGBOJVHTSSLFTM-UHFFFAOYSA-N 0 0 395.257 3.463 10 5 GGBERN O=C(N[C@]12C[C@H]1CCCC2)c1ccc([N+](=O)[O-])cc1I ZINC000601777584 566423199 /nfs/dbraw/zinc/42/31/99/566423199.db2.gz TZNQBBIAAIYSEI-YMTOWFKASA-N 0 0 386.189 3.262 10 5 GGBERN Cc1csc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1Br ZINC000601776260 566423747 /nfs/dbraw/zinc/42/37/47/566423747.db2.gz HXRKFVPXWYMPST-OAHLLOKOSA-N 0 0 399.266 3.365 10 5 GGBERN C[C@@](CO)(NC(=O)[C@@H]1SCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000601782651 566424846 /nfs/dbraw/zinc/42/48/46/566424846.db2.gz YZYGXSPHRIMEOJ-WBVHZDCISA-N 0 0 378.475 3.011 10 5 GGBERN C[C@](CO)(NC(=O)[C@@H]1SCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000601782648 566425316 /nfs/dbraw/zinc/42/53/16/566425316.db2.gz YZYGXSPHRIMEOJ-NVXWUHKLSA-N 0 0 378.475 3.011 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCn3c(cc4ccccc43)C2)s1 ZINC000557863422 566430513 /nfs/dbraw/zinc/43/05/13/566430513.db2.gz DYGOYIFVTYSQBE-UHFFFAOYSA-N 0 0 377.447 3.206 10 5 GGBERN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cccc(Br)c1 ZINC000484589241 566438969 /nfs/dbraw/zinc/43/89/69/566438969.db2.gz HNINWAIEPNRBSW-UHFFFAOYSA-N 0 0 388.015 3.330 10 5 GGBERN COc1ccc2c(c1)CCC[C@@H]2CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000463864980 566439241 /nfs/dbraw/zinc/43/92/41/566439241.db2.gz GXKIZNSQOVZYQQ-GFCCVEGCSA-N 0 0 382.463 3.063 10 5 GGBERN COc1cc(CSc2nnc(N(C(C)=O)C3CC3)s2)ccc1[N+](=O)[O-] ZINC000484595297 566439377 /nfs/dbraw/zinc/43/93/77/566439377.db2.gz ZRTKBXYDGPMFFJ-UHFFFAOYSA-N 0 0 380.451 3.263 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000537547520 566450232 /nfs/dbraw/zinc/45/02/32/566450232.db2.gz HBEMCRJPNIMILL-UHFFFAOYSA-N 0 0 386.227 3.161 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(Br)c[nH]1 ZINC000558151534 566455330 /nfs/dbraw/zinc/45/53/30/566455330.db2.gz SIPXYAOKLBNSJW-UHFFFAOYSA-N 0 0 377.198 3.139 10 5 GGBERN O=[N+]([O-])c1ccc(NCCc2ccc(I)s2)cn1 ZINC000558201859 566458027 /nfs/dbraw/zinc/45/80/27/566458027.db2.gz ZMUWWWMXBXEPIW-UHFFFAOYSA-N 0 0 375.191 3.311 10 5 GGBERN COC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000537701003 566464689 /nfs/dbraw/zinc/46/46/89/566464689.db2.gz JCWQQODFJKVUND-CQSZACIVSA-N 0 0 379.210 3.475 10 5 GGBERN CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000484996781 566468213 /nfs/dbraw/zinc/46/82/13/566468213.db2.gz YYEKCGFODDLGCJ-UHFFFAOYSA-N 0 0 382.341 3.380 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000537785383 566470351 /nfs/dbraw/zinc/47/03/51/566470351.db2.gz AKDWLUNMJLPFCS-HNNXBMFYSA-N 0 0 379.210 3.129 10 5 GGBERN O=C(NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1I ZINC000511564873 566471805 /nfs/dbraw/zinc/47/18/05/566471805.db2.gz HMTMMCFSKIVKLD-UHFFFAOYSA-N 0 0 396.184 3.172 10 5 GGBERN COc1cc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000577892132 566473932 /nfs/dbraw/zinc/47/39/32/566473932.db2.gz DNXUCDUUMMJROU-UHFFFAOYSA-N 0 0 386.813 3.375 10 5 GGBERN COC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000464506213 566481246 /nfs/dbraw/zinc/48/12/46/566481246.db2.gz DESJYNZLDVJIMQ-LLVKDONJSA-N 0 0 385.136 3.055 10 5 GGBERN COC[C@@](C)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000464504623 566481295 /nfs/dbraw/zinc/48/12/95/566481295.db2.gz KBXBUFOQOJKHON-ISVAXAHUSA-N 0 0 384.738 3.099 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000538016845 566487880 /nfs/dbraw/zinc/48/78/80/566487880.db2.gz VJMCDRUFUDACRT-JOYOIKCWSA-N 0 0 395.264 3.091 10 5 GGBERN C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000538138026 566495518 /nfs/dbraw/zinc/49/55/18/566495518.db2.gz MWUFLBXBGMQFSH-MEBBXXQBSA-N 0 0 378.226 3.235 10 5 GGBERN Cc1cccc(CNC(=O)CNc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000578251978 566504325 /nfs/dbraw/zinc/50/43/25/566504325.db2.gz ZEJKUOPDPYHTLE-UHFFFAOYSA-N 0 0 378.226 3.394 10 5 GGBERN CSc1cccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000485514347 566506972 /nfs/dbraw/zinc/50/69/72/566506972.db2.gz JGFJTOOZJWUNCX-UHFFFAOYSA-N 0 0 380.447 3.281 10 5 GGBERN CC(C)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000485520172 566507643 /nfs/dbraw/zinc/50/76/43/566507643.db2.gz SNWWSSMGSOSVJH-UHFFFAOYSA-N 0 0 377.260 3.448 10 5 GGBERN CC[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000485666171 566517169 /nfs/dbraw/zinc/51/71/69/566517169.db2.gz FARXGKHWAAJSHS-LLVKDONJSA-N 0 0 385.193 3.111 10 5 GGBERN CSc1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000485768853 566524215 /nfs/dbraw/zinc/52/42/15/566524215.db2.gz JVQJCYNYSVNZOQ-CHWSQXEVSA-N 0 0 382.507 3.443 10 5 GGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)c1cccs1 ZINC000603448044 566527371 /nfs/dbraw/zinc/52/73/71/566527371.db2.gz ZZHRBNVFKZTBQI-SECBINFHSA-N 0 0 375.435 3.417 10 5 GGBERN Cc1cc(C)c(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000559142007 566528408 /nfs/dbraw/zinc/52/84/08/566528408.db2.gz XDDMZPCDOGWVMM-NSHDSACASA-N 0 0 395.384 3.250 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)s1 ZINC000559149560 566530007 /nfs/dbraw/zinc/53/00/07/566530007.db2.gz IDDMHEQBFSMEGD-GFCCVEGCSA-N 0 0 388.854 3.152 10 5 GGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CCc2nccs2)C(C)C)c1 ZINC000578581356 566535736 /nfs/dbraw/zinc/53/57/36/566535736.db2.gz QHVMEEWREWSBGB-UHFFFAOYSA-N 0 0 383.495 3.310 10 5 GGBERN C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2ncsc2c1 ZINC000485954234 566542417 /nfs/dbraw/zinc/54/24/17/566542417.db2.gz IJPSMOAXJMIVFX-NSHDSACASA-N 0 0 377.447 3.385 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C3CC3)c3cc(Cl)ccc32)s1 ZINC000485953247 566542509 /nfs/dbraw/zinc/54/25/09/566542509.db2.gz GKUPUGNPJPOBFD-UHFFFAOYSA-N 0 0 399.881 3.487 10 5 GGBERN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000485967489 566544422 /nfs/dbraw/zinc/54/44/22/566544422.db2.gz QPOMICOVLOXGMO-NSHDSACASA-N 0 0 377.447 3.385 10 5 GGBERN C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485964548 566544705 /nfs/dbraw/zinc/54/47/05/566544705.db2.gz IUONDBIRXHNPRT-NSHDSACASA-N 0 0 377.447 3.385 10 5 GGBERN NS(=O)(=O)c1c(NCc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000603929060 566545466 /nfs/dbraw/zinc/54/54/66/566545466.db2.gz TYOCXUVPPVEEMF-UHFFFAOYSA-N 0 0 376.221 3.161 10 5 GGBERN O=[N+]([O-])c1cc(CNc2ncncc2Br)cc(C(F)(F)F)c1 ZINC000486020594 566550479 /nfs/dbraw/zinc/55/04/79/566550479.db2.gz VDEWJZRLCWCRIT-UHFFFAOYSA-N 0 0 377.120 3.200 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1csc2ccccc12 ZINC000604035369 566551989 /nfs/dbraw/zinc/55/19/89/566551989.db2.gz DXIFQFMYPFZKJM-UHFFFAOYSA-N 0 0 378.431 3.297 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(=O)Nc2ccccc21 ZINC000559543676 566555749 /nfs/dbraw/zinc/55/57/49/566555749.db2.gz LGQUOLQDHXXLQC-UHFFFAOYSA-N 0 0 390.193 3.265 10 5 GGBERN Cc1cc(Br)cc(C)c1S(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000604473614 566565829 /nfs/dbraw/zinc/56/58/29/566565829.db2.gz APUQPJFYQCUKPW-UHFFFAOYSA-N 0 0 399.266 3.453 10 5 GGBERN Cc1sc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1Br ZINC000424748325 566566655 /nfs/dbraw/zinc/56/66/55/566566655.db2.gz BLVPDKSWMNDTQF-UHFFFAOYSA-N 0 0 382.239 3.321 10 5 GGBERN COCCN(Cc1ccc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000604493783 566567491 /nfs/dbraw/zinc/56/74/91/566567491.db2.gz OVKPKGWLGMGZRN-UHFFFAOYSA-N 0 0 384.479 3.110 10 5 GGBERN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC[C@H]2COCC[C@@H]21 ZINC000486206640 566568470 /nfs/dbraw/zinc/56/84/70/566568470.db2.gz WLALAZLTOGBPHF-IUCAKERBSA-N 0 0 375.244 3.060 10 5 GGBERN CSc1cccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2C)c1[N+](=O)[O-] ZINC000486248486 566571348 /nfs/dbraw/zinc/57/13/48/566571348.db2.gz DQTIWLSMCMQMKY-UHFFFAOYSA-N 0 0 380.447 3.281 10 5 GGBERN COc1ncc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Br ZINC000424832404 566576809 /nfs/dbraw/zinc/57/68/09/566576809.db2.gz UVXOIOHNZZACQF-UHFFFAOYSA-N 0 0 394.225 3.076 10 5 GGBERN CCOc1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000486370411 566582073 /nfs/dbraw/zinc/58/20/73/566582073.db2.gz HCNKRLFONQRJKU-VIFPVBQESA-N 0 0 395.213 3.037 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCC1=CCCC1 ZINC000513163291 566585627 /nfs/dbraw/zinc/58/56/27/566585627.db2.gz ARYRFISRHYQPLP-UHFFFAOYSA-N 0 0 375.244 3.136 10 5 GGBERN COCCN(Cc1scnc1C)c1ncc([N+](=O)[O-])cc1Br ZINC000486467893 566592225 /nfs/dbraw/zinc/59/22/25/566592225.db2.gz NJGDCKOIHSTLNA-UHFFFAOYSA-N 0 0 387.259 3.170 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN2CC[C@H](OC(F)F)C2)c1 ZINC000579289864 566596207 /nfs/dbraw/zinc/59/62/07/566596207.db2.gz PKPJMUUFLNQHPC-NSHDSACASA-N 0 0 398.147 3.013 10 5 GGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000539693213 566596586 /nfs/dbraw/zinc/59/65/86/566596586.db2.gz JDWZTRQXHAAXCV-UHFFFAOYSA-N 0 0 380.191 3.398 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]1C(F)(F)F ZINC000579294167 566596545 /nfs/dbraw/zinc/59/65/45/566596545.db2.gz HEQLVCGYHCAFAJ-QMMMGPOBSA-N 0 0 379.143 3.227 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000539746024 566599735 /nfs/dbraw/zinc/59/97/35/566599735.db2.gz BCUJCOVAQOXDNG-UHFFFAOYSA-N 0 0 394.225 3.110 10 5 GGBERN COC(=O)c1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000560127737 566601123 /nfs/dbraw/zinc/60/11/23/566601123.db2.gz MYPLEXAITVTTQF-UHFFFAOYSA-N 0 0 379.166 3.396 10 5 GGBERN CCc1nn(C)c(CC)c1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560129977 566601633 /nfs/dbraw/zinc/60/16/33/566601633.db2.gz KJPAVYPUYNKWLL-UHFFFAOYSA-N 0 0 395.257 3.397 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000467020177 566616407 /nfs/dbraw/zinc/61/64/07/566616407.db2.gz AKORFGJEPWJXBU-UHFFFAOYSA-N 0 0 393.241 3.375 10 5 GGBERN Cc1ccsc1[C@@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000539986324 566619627 /nfs/dbraw/zinc/61/96/27/566619627.db2.gz VPKVXKKNMONJND-CYBMUJFWSA-N 0 0 399.266 3.120 10 5 GGBERN Cc1sc(S(=O)(=O)NCCc2c[nH]c3cccc(C)c23)cc1[N+](=O)[O-] ZINC000467080054 566625081 /nfs/dbraw/zinc/62/50/81/566625081.db2.gz RRRDTMAMXYNACP-UHFFFAOYSA-N 0 0 379.463 3.275 10 5 GGBERN Cc1sc(S(=O)(=O)NCc2ccccc2OC2CCC2)cc1[N+](=O)[O-] ZINC000467092430 566625424 /nfs/dbraw/zinc/62/54/24/566625424.db2.gz SYVVUUSIEFAPAX-UHFFFAOYSA-N 0 0 382.463 3.375 10 5 GGBERN COc1ccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(Cl)c1 ZINC000467084660 566625939 /nfs/dbraw/zinc/62/59/39/566625939.db2.gz JBJJEFLGLUGMMJ-UHFFFAOYSA-N 0 0 390.870 3.148 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc(-c3ccccc3F)cs2)s1 ZINC000486841733 566628494 /nfs/dbraw/zinc/62/84/94/566628494.db2.gz FRJYNEGUMLCWGB-UHFFFAOYSA-N 0 0 399.450 3.397 10 5 GGBERN Cc1cc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000513847253 566628533 /nfs/dbraw/zinc/62/85/33/566628533.db2.gz HIIBAADUCMCFDB-UHFFFAOYSA-N 0 0 384.841 3.052 10 5 GGBERN CSc1ccc(-c2csc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000540115942 566629646 /nfs/dbraw/zinc/62/96/46/566629646.db2.gz BEORLYWFRIEMOI-UHFFFAOYSA-N 0 0 375.435 3.426 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000560481851 566629909 /nfs/dbraw/zinc/62/99/09/566629909.db2.gz DWLQCVDCBXXWKY-CQSZACIVSA-N 0 0 377.198 3.125 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)n1 ZINC000540124146 566631243 /nfs/dbraw/zinc/63/12/43/566631243.db2.gz DLOQWEVBLUXIEH-UHFFFAOYSA-N 0 0 393.119 3.362 10 5 GGBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cnc2c(Br)cccn12 ZINC000560557217 566637415 /nfs/dbraw/zinc/63/74/15/566637415.db2.gz FDWKWRRLTLUGSH-UHFFFAOYSA-N 0 0 391.181 3.023 10 5 GGBERN O=C(C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000425386387 566637893 /nfs/dbraw/zinc/63/78/93/566637893.db2.gz PAEDMUGJHBGDCX-UHFFFAOYSA-N 0 0 396.285 3.192 10 5 GGBERN CN(C1(C)CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000486949876 566638007 /nfs/dbraw/zinc/63/80/07/566638007.db2.gz YFNDBXGYFLMHBV-UHFFFAOYSA-N 0 0 377.260 3.311 10 5 GGBERN CCN(CC)C(=O)C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425403044 566639411 /nfs/dbraw/zinc/63/94/11/566639411.db2.gz SPAWVLUUFKRAJT-UHFFFAOYSA-N 0 0 398.301 3.438 10 5 GGBERN CN(C1(C)CCCC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000486991142 566641608 /nfs/dbraw/zinc/64/16/08/566641608.db2.gz ZYQLLBVJBRXZNR-UHFFFAOYSA-N 0 0 377.260 3.311 10 5 GGBERN CO[C@@H](C)c1noc(CN(C)Cc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000425413908 566642263 /nfs/dbraw/zinc/64/22/63/566642263.db2.gz CTQSONPWYOIIDH-VIFPVBQESA-N 0 0 385.218 3.080 10 5 GGBERN CO[C@H](C)c1noc(CN(C)Cc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000425413905 566642300 /nfs/dbraw/zinc/64/23/00/566642300.db2.gz CTQSONPWYOIIDH-SECBINFHSA-N 0 0 385.218 3.080 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000467392970 566643473 /nfs/dbraw/zinc/64/34/73/566643473.db2.gz JWFINVCJUQHGJQ-AWEZNQCLSA-N 0 0 384.454 3.500 10 5 GGBERN COc1ccc(Cl)cc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467395234 566643882 /nfs/dbraw/zinc/64/38/82/566643882.db2.gz HLQVSWXNQURNIH-UHFFFAOYSA-N 0 0 376.843 3.105 10 5 GGBERN Cc1ccncc1N1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425450303 566644802 /nfs/dbraw/zinc/64/48/02/566644802.db2.gz XYZUKWXVZIGKQC-UHFFFAOYSA-N 0 0 391.269 3.383 10 5 GGBERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448227 566645198 /nfs/dbraw/zinc/64/51/98/566645198.db2.gz RBEIPZUHSOEJHU-DGFSRKRXSA-N 0 0 383.242 3.131 10 5 GGBERN Cc1sc(S(=O)(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467422842 566646539 /nfs/dbraw/zinc/64/65/39/566646539.db2.gz HOAKWGQSBUCUFM-XHDPSFHLSA-N 0 0 382.463 3.115 10 5 GGBERN CC[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000425467447 566646839 /nfs/dbraw/zinc/64/68/39/566646839.db2.gz BQFQLJMXLDYULE-ZBFHGGJFSA-N 0 0 385.258 3.127 10 5 GGBERN C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000540337625 566647392 /nfs/dbraw/zinc/64/73/92/566647392.db2.gz JQBUTSXISILDTM-ZUZCIYMTSA-N 0 0 378.226 3.235 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000425490425 566649435 /nfs/dbraw/zinc/64/94/35/566649435.db2.gz KYGFXWZFWSRIEL-JOYOIKCWSA-N 0 0 383.164 3.102 10 5 GGBERN C[C@H](NC(=O)c1cncc(I)c1)c1ccccc1[N+](=O)[O-] ZINC000540437770 566650094 /nfs/dbraw/zinc/65/00/94/566650094.db2.gz MDUIKGPYZQBIOF-VIFPVBQESA-N 0 0 397.172 3.085 10 5 GGBERN C[C@@H](NC(=O)c1cncc(I)c1)c1ccccc1[N+](=O)[O-] ZINC000540437758 566650473 /nfs/dbraw/zinc/65/04/73/566650473.db2.gz MDUIKGPYZQBIOF-SECBINFHSA-N 0 0 397.172 3.085 10 5 GGBERN Cc1ccc(CN(CCO)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)o1 ZINC000560695884 566650938 /nfs/dbraw/zinc/65/09/38/566650938.db2.gz KZBYYDKXBPGKNX-UHFFFAOYSA-N 0 0 397.225 3.202 10 5 GGBERN COC(=O)c1conc1C(C)(C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425585578 566656803 /nfs/dbraw/zinc/65/68/03/566656803.db2.gz KPCSTDIWNWVILL-UHFFFAOYSA-N 0 0 398.213 3.157 10 5 GGBERN Cc1cc(I)cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000560775828 566657237 /nfs/dbraw/zinc/65/72/37/566657237.db2.gz GGWQMQWNQJTALP-UHFFFAOYSA-N 0 0 397.172 3.464 10 5 GGBERN Cc1cc(Br)cn2cc(CCNc3ccc([N+](=O)[O-])nc3)nc12 ZINC000514633502 566658983 /nfs/dbraw/zinc/65/89/83/566658983.db2.gz FXGFNHLWKSZPJG-UHFFFAOYSA-N 0 0 376.214 3.363 10 5 GGBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCc2c(F)cc(Br)cc21 ZINC000540777765 566671424 /nfs/dbraw/zinc/67/14/24/566671424.db2.gz NTBHCUXWHMDZAR-UHFFFAOYSA-N 0 0 397.204 3.062 10 5 GGBERN O=C(c1cc(F)cc(Br)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540880683 566678598 /nfs/dbraw/zinc/67/85/98/566678598.db2.gz MDAKGZXBSSBJLF-UHFFFAOYSA-N 0 0 380.173 3.090 10 5 GGBERN CC(C)N(CCN1CCCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000450541811 566683151 /nfs/dbraw/zinc/68/31/51/566683151.db2.gz UCPDJSLAIXQQQM-UHFFFAOYSA-N 0 0 389.543 3.151 10 5 GGBERN Cc1c(NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000580323877 566684193 /nfs/dbraw/zinc/68/41/93/566684193.db2.gz MYZIXEYEYDYBQY-YGRLFVJLSA-N 0 0 384.230 3.308 10 5 GGBERN CS(=O)(=O)c1ccc(N2CCc3c(Cl)cc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000450586032 566687875 /nfs/dbraw/zinc/68/78/75/566687875.db2.gz NTDKWVVIEQAULD-UHFFFAOYSA-N 0 0 384.816 3.354 10 5 GGBERN Cc1ccc(Br)cc1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450631935 566690920 /nfs/dbraw/zinc/69/09/20/566690920.db2.gz JBLQIILARXLYSJ-UHFFFAOYSA-N 0 0 390.237 3.188 10 5 GGBERN COc1cc(CN[C@@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000541052776 566691031 /nfs/dbraw/zinc/69/10/31/566691031.db2.gz JKMWMVPPPGEZNE-AWEZNQCLSA-N 0 0 381.226 3.189 10 5 GGBERN COc1cc(CN[C@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000541052777 566691546 /nfs/dbraw/zinc/69/15/46/566691546.db2.gz JKMWMVPPPGEZNE-CQSZACIVSA-N 0 0 381.226 3.189 10 5 GGBERN O=[N+]([O-])c1cc(Br)cnc1N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000450658610 566694682 /nfs/dbraw/zinc/69/46/82/566694682.db2.gz NQVUXHANBWSVAV-CJNGLKHVSA-N 0 0 396.216 3.057 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450650942 566694725 /nfs/dbraw/zinc/69/47/25/566694725.db2.gz DEXSZVRNVHPBCR-BLLLJJGKSA-N 0 0 396.216 3.057 10 5 GGBERN O=[N+]([O-])c1cnc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(Br)c1 ZINC000450659468 566694992 /nfs/dbraw/zinc/69/49/92/566694992.db2.gz QQFYLHSXSSCNBR-CJNGLKHVSA-N 0 0 396.216 3.057 10 5 GGBERN Cc1cc(N[C@@H](CO)C[C@H](O)C(C)(C)C)c(Br)cc1[N+](=O)[O-] ZINC000561322953 566695116 /nfs/dbraw/zinc/69/51/16/566695116.db2.gz DDOLINLYAVXGAS-YGRLFVJLSA-N 0 0 375.263 3.236 10 5 GGBERN CCC1(CC)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1(=O)=O ZINC000426175616 566697458 /nfs/dbraw/zinc/69/74/58/566697458.db2.gz VCSXRFMBNLZFKX-UHFFFAOYSA-N 0 0 389.861 3.069 10 5 GGBERN O=[N+]([O-])c1cnc(NCc2ccnc(OC(F)F)c2)c(Br)c1 ZINC000561347892 566698577 /nfs/dbraw/zinc/69/85/77/566698577.db2.gz WYHCJGZSPSFTMB-UHFFFAOYSA-N 0 0 375.129 3.361 10 5 GGBERN Cn1cc(Br)c(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)n1 ZINC000450723777 566699613 /nfs/dbraw/zinc/69/96/13/566699613.db2.gz DIQWBSUBSAWUEH-UHFFFAOYSA-N 0 0 377.145 3.304 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000541313087 566714839 /nfs/dbraw/zinc/71/48/39/566714839.db2.gz FQWZJODUCIZGDY-UHFFFAOYSA-N 0 0 388.804 3.183 10 5 GGBERN CN(C[C@@H]1CC=CCC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000541313073 566714916 /nfs/dbraw/zinc/71/49/16/566714916.db2.gz FOLXVIKHVJVXLH-LLVKDONJSA-N 0 0 389.271 3.334 10 5 GGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC000450886316 566715053 /nfs/dbraw/zinc/71/50/53/566715053.db2.gz FMRWXLYHHPOFMT-LLVKDONJSA-N 0 0 384.205 3.155 10 5 GGBERN C[C@@H]1CN(CC(F)(F)F)CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000450881134 566715407 /nfs/dbraw/zinc/71/54/07/566715407.db2.gz YQEUJTQRVJDGHJ-SECBINFHSA-N 0 0 397.195 3.073 10 5 GGBERN COc1ccc(Br)cc1C[C@@H](CO)CNc1ccc([N+](=O)[O-])nc1 ZINC000450888252 566715703 /nfs/dbraw/zinc/71/57/03/566715703.db2.gz KZSXBARIPZJOMD-LLVKDONJSA-N 0 0 396.241 3.024 10 5 GGBERN COC[C@@H](Cn1cc([N+](=O)[O-])cc(C)c1=O)c1ccc(Br)cc1 ZINC000450889181 566717647 /nfs/dbraw/zinc/71/76/47/566717647.db2.gz PUJYRNCLISNCBE-CYBMUJFWSA-N 0 0 381.226 3.258 10 5 GGBERN O=C1CC[C@@H](COc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCN1 ZINC000450895310 566717790 /nfs/dbraw/zinc/71/77/90/566717790.db2.gz IYVYGOHBMMBBFX-SNVBAGLBSA-N 0 0 394.225 3.201 10 5 GGBERN C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000468705229 566721030 /nfs/dbraw/zinc/72/10/30/566721030.db2.gz IFJQAEBCWCNNJN-SNVBAGLBSA-N 0 0 378.226 3.301 10 5 GGBERN Nc1c(C(=O)N[C@H]2CCOc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000468698726 566721106 /nfs/dbraw/zinc/72/11/06/566721106.db2.gz OMRFRHABGFWGEV-LBPRGKRZSA-N 0 0 392.209 3.193 10 5 GGBERN O=C(CN[C@@H](CO)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000561607340 566722678 /nfs/dbraw/zinc/72/26/78/566722678.db2.gz LEOHQPPGMGLBJX-HNNXBMFYSA-N 0 0 384.219 3.163 10 5 GGBERN CCOC(=O)[C@@H](c1ccc(Br)cc1F)n1cc([N+](=O)[O-])c(C)n1 ZINC000450961394 566723648 /nfs/dbraw/zinc/72/36/48/566723648.db2.gz RAYPMXIMKOCUMT-CYBMUJFWSA-N 0 0 386.177 3.154 10 5 GGBERN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000426758849 566727223 /nfs/dbraw/zinc/72/72/23/566727223.db2.gz JRLWKKNUAFFNQP-HNNXBMFYSA-N 0 0 379.210 3.143 10 5 GGBERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000488625980 566736084 /nfs/dbraw/zinc/73/60/84/566736084.db2.gz IAUYPHFAJQYDNL-SNVBAGLBSA-N 0 0 399.241 3.161 10 5 GGBERN CO[C@@H](CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000468844020 566737184 /nfs/dbraw/zinc/73/71/84/566737184.db2.gz FBTQPWISEXUOOL-LBPRGKRZSA-N 0 0 383.754 3.057 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2c(Br)ccc(F)c2C1 ZINC000541639487 566739466 /nfs/dbraw/zinc/73/94/66/566739466.db2.gz SXHCDMJXCMGAMK-UHFFFAOYSA-N 0 0 380.173 3.090 10 5 GGBERN COCc1cc(Cl)ccc1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581007330 566742618 /nfs/dbraw/zinc/74/26/18/566742618.db2.gz HPZXRPMLMVGRMK-UHFFFAOYSA-N 0 0 384.841 3.280 10 5 GGBERN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCc2sc(Cl)cc21 ZINC000488724786 566744671 /nfs/dbraw/zinc/74/46/71/566744671.db2.gz SUDFGULQKBGTEE-SNVBAGLBSA-N 0 0 387.870 3.447 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@@H]2CCCc3sc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000488754970 566746466 /nfs/dbraw/zinc/74/64/66/566746466.db2.gz QXAKOMYNUVRFDS-SNVBAGLBSA-N 0 0 387.870 3.447 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@H]2CCCc3sc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000488754969 566746503 /nfs/dbraw/zinc/74/65/03/566746503.db2.gz QXAKOMYNUVRFDS-JTQLQIEISA-N 0 0 387.870 3.447 10 5 GGBERN C[C@@H]1COCC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000561891242 566746534 /nfs/dbraw/zinc/74/65/34/566746534.db2.gz CCAUYTFIHZPXEU-BXKDBHETSA-N 0 0 382.214 3.471 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCc2nc3cc(Cl)ccc3s2)n1 ZINC000427116529 566748715 /nfs/dbraw/zinc/74/87/15/566748715.db2.gz YKTAPVJXGISZDC-UHFFFAOYSA-N 0 0 379.829 3.047 10 5 GGBERN Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1Br ZINC000469027447 566755085 /nfs/dbraw/zinc/75/50/85/566755085.db2.gz QDEXPXNRJRPQJY-UHFFFAOYSA-N 0 0 391.268 3.206 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000469037795 566756688 /nfs/dbraw/zinc/75/66/88/566756688.db2.gz NOVLJWCPNDFQKW-UHFFFAOYSA-N 0 0 383.857 3.101 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](O)COc2ccccc2Br)n1 ZINC000541935951 566760948 /nfs/dbraw/zinc/76/09/48/566760948.db2.gz KTJRASTXLKFBDO-LBPRGKRZSA-N 0 0 396.241 3.221 10 5 GGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(F)c(Br)c1 ZINC000609384423 566761922 /nfs/dbraw/zinc/76/19/22/566761922.db2.gz UJCIIIYNCJNVGK-SSDOTTSWSA-N 0 0 383.177 3.163 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccc(Br)cc2)n1 ZINC000427282284 566762710 /nfs/dbraw/zinc/76/27/10/566762710.db2.gz DPDGEVGIXIRQJZ-UHFFFAOYSA-N 0 0 381.230 3.239 10 5 GGBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCc3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000609476734 566765054 /nfs/dbraw/zinc/76/50/54/566765054.db2.gz CQMXDKMNGHRLQE-GFCCVEGCSA-N 0 0 393.241 3.450 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)n1 ZINC000427366179 566768834 /nfs/dbraw/zinc/76/88/34/566768834.db2.gz MGPUHQMEJFAAHC-SECBINFHSA-N 0 0 399.220 3.074 10 5 GGBERN Cc1nc2ccc(S(=O)(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000489112246 566771278 /nfs/dbraw/zinc/77/12/78/566771278.db2.gz XKQKBSXOVAJLCZ-UHFFFAOYSA-N 0 0 377.447 3.034 10 5 GGBERN COCc1csc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000609652554 566778526 /nfs/dbraw/zinc/77/85/26/566778526.db2.gz QAZXNLOHLPOAFM-UHFFFAOYSA-N 0 0 383.451 3.078 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccc2ccccc2n1 ZINC000609638648 566779097 /nfs/dbraw/zinc/77/90/97/566779097.db2.gz VQXKNVGAHSISOI-UHFFFAOYSA-N 0 0 377.809 3.275 10 5 GGBERN Cc1cc(C(=O)N(CCO)Cc2cc(Br)cs2)cc([N+](=O)[O-])c1 ZINC000427563010 566779587 /nfs/dbraw/zinc/77/95/87/566779587.db2.gz DHOVFWMXOYDOHZ-UHFFFAOYSA-N 0 0 399.266 3.362 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427566736 566779726 /nfs/dbraw/zinc/77/97/26/566779726.db2.gz YOZVWIISRSAOTO-UHFFFAOYSA-N 0 0 399.266 3.362 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)n1 ZINC000489291277 566780708 /nfs/dbraw/zinc/78/07/08/566780708.db2.gz KXELGGGAXPQOHW-UHFFFAOYSA-N 0 0 380.817 3.179 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Br)cn1 ZINC000581511908 566783458 /nfs/dbraw/zinc/78/34/58/566783458.db2.gz IMYXKZSJJZGSCX-UHFFFAOYSA-N 0 0 389.209 3.206 10 5 GGBERN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCOC2(CCSCC2)C1 ZINC000542225983 566784155 /nfs/dbraw/zinc/78/41/55/566784155.db2.gz HXYVPQJQFYWJPC-ZDUSSCGKSA-N 0 0 382.507 3.248 10 5 GGBERN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H](C)[C@H](C)O1 ZINC000581517215 566785396 /nfs/dbraw/zinc/78/53/96/566785396.db2.gz TWAMTLVRVTZGOS-MXWKQRLJSA-N 0 0 390.221 3.197 10 5 GGBERN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000489452428 566789248 /nfs/dbraw/zinc/78/92/48/566789248.db2.gz MVZKZFYXJWIDCW-UHFFFAOYSA-N 0 0 391.232 3.389 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@@H]1CC1CCC1 ZINC000516889520 566789994 /nfs/dbraw/zinc/78/99/94/566789994.db2.gz JEOYUYPMAUSOKR-ZDUSSCGKSA-N 0 0 383.242 3.389 10 5 GGBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000609841104 566789987 /nfs/dbraw/zinc/78/99/87/566789987.db2.gz AMSGGZBBXKQYBL-PSASIEDQSA-N 0 0 385.877 3.420 10 5 GGBERN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000609841107 566790162 /nfs/dbraw/zinc/79/01/62/566790162.db2.gz AMSGGZBBXKQYBL-WPRPVWTQSA-N 0 0 385.877 3.420 10 5 GGBERN CN(Cc1cc(Br)ccc1Cl)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000427749338 566794078 /nfs/dbraw/zinc/79/40/78/566794078.db2.gz SQRGCSQXWBNOKV-UHFFFAOYSA-N 0 0 387.621 3.016 10 5 GGBERN CN(C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1Br ZINC000469498180 566794257 /nfs/dbraw/zinc/79/42/57/566794257.db2.gz TZPOXTMWEWKQLC-UHFFFAOYSA-N 0 0 393.241 3.253 10 5 GGBERN CS[C@H]1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000451320825 566795769 /nfs/dbraw/zinc/79/57/69/566795769.db2.gz MJFDSFYZQGEUSS-ZDUSSCGKSA-N 0 0 378.479 3.094 10 5 GGBERN CC[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)c1cccc([N+](=O)[O-])c1 ZINC000469528481 566797055 /nfs/dbraw/zinc/79/70/55/566797055.db2.gz DWSOSVHLMWZOCB-GFCCVEGCSA-N 0 0 380.198 3.339 10 5 GGBERN CCC1(CC)CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[S@@]1=O ZINC000469539159 566798255 /nfs/dbraw/zinc/79/82/55/566798255.db2.gz COXURCAXTAJXEP-QFIPXVFZSA-N 0 0 390.303 3.188 10 5 GGBERN CCC1(CC)CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[S@]1=O ZINC000469539160 566798338 /nfs/dbraw/zinc/79/83/38/566798338.db2.gz COXURCAXTAJXEP-JOCHJYFZSA-N 0 0 390.303 3.188 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCN(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000610005270 566798959 /nfs/dbraw/zinc/79/89/59/566798959.db2.gz KRYQPKLEYPZNLG-UHFFFAOYSA-N 0 0 381.841 3.202 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000562562111 566802819 /nfs/dbraw/zinc/80/28/19/566802819.db2.gz GMFBLLDVPOFBCP-GFCCVEGCSA-N 0 0 376.210 3.382 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000489699485 566803548 /nfs/dbraw/zinc/80/35/48/566803548.db2.gz BMHSCMILBLNABI-UHFFFAOYSA-N 0 0 390.795 3.356 10 5 GGBERN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)C[C@@H]2CCCC2(F)F)cc1 ZINC000451360604 566804078 /nfs/dbraw/zinc/80/40/78/566804078.db2.gz NJAGXXZUDUZEEZ-GXTWGEPZSA-N 0 0 392.449 3.407 10 5 GGBERN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1(C)C ZINC000610136390 566810343 /nfs/dbraw/zinc/81/03/43/566810343.db2.gz LROXFAAYMBGQDY-LSDHHAIUSA-N 0 0 390.889 3.381 10 5 GGBERN CCCN([C@H]1C[C@@H](OCC)C1(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000610137148 566810803 /nfs/dbraw/zinc/81/08/03/566810803.db2.gz ZGJOQENIYWSJDI-NWDGAFQWSA-N 0 0 376.500 3.261 10 5 GGBERN CCCN([C@@H]1C[C@@H](OCC)C1(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000610137150 566810809 /nfs/dbraw/zinc/81/08/09/566810809.db2.gz ZGJOQENIYWSJDI-VXGBXAGGSA-N 0 0 376.500 3.261 10 5 GGBERN Cc1nc2ccc(S(=O)(=O)NCc3cccc([N+](=O)[O-])c3C)cc2s1 ZINC000489799452 566811549 /nfs/dbraw/zinc/81/15/49/566811549.db2.gz DQKLRGAJNBMWOL-UHFFFAOYSA-N 0 0 377.447 3.300 10 5 GGBERN COc1ccc(Br)cc1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000610224586 566817172 /nfs/dbraw/zinc/81/71/72/566817172.db2.gz RCYTWJAWQVRTLR-UHFFFAOYSA-N 0 0 379.210 3.225 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000489971898 566819769 /nfs/dbraw/zinc/81/97/69/566819769.db2.gz LTIJTSVEYPUDAG-NSHDSACASA-N 0 0 378.397 3.097 10 5 GGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000610266967 566819934 /nfs/dbraw/zinc/81/99/34/566819934.db2.gz WNLDIOBUKOWFSH-CYBMUJFWSA-N 0 0 388.873 3.361 10 5 GGBERN C[C@@H](Cc1cc(Br)ccc1F)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000428138367 566820582 /nfs/dbraw/zinc/82/05/82/566820582.db2.gz QHCCWWBYAFNGFW-VIFPVBQESA-N 0 0 394.204 3.004 10 5 GGBERN CO[C@H](CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000469936361 566829546 /nfs/dbraw/zinc/82/95/46/566829546.db2.gz AAOLBYOWYSUIFW-PRHODGIISA-N 0 0 384.738 3.099 10 5 GGBERN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2Cl)c([N+](=O)[O-])c1 ZINC000610412105 566829703 /nfs/dbraw/zinc/82/97/03/566829703.db2.gz SLRGRKJVLAKSOF-UHFFFAOYSA-N 0 0 384.797 3.144 10 5 GGBERN CO[C@H](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000469949611 566830666 /nfs/dbraw/zinc/83/06/66/566830666.db2.gz XPMSAVPIUFJEOV-SNVBAGLBSA-N 0 0 385.136 3.055 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CCC2)n1 ZINC000610431349 566831310 /nfs/dbraw/zinc/83/13/10/566831310.db2.gz VVKORLPXVVZYBC-UHFFFAOYSA-N 0 0 381.479 3.334 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCNC(=O)c2cccc(Br)c2)n1 ZINC000542865177 566832782 /nfs/dbraw/zinc/83/27/82/566832782.db2.gz WPWQBMRSPUKPBC-UHFFFAOYSA-N 0 0 393.241 3.211 10 5 GGBERN Cc1c(C(=O)Nc2cc(I)ccc2O)cccc1[N+](=O)[O-] ZINC000610485629 566834514 /nfs/dbraw/zinc/83/45/14/566834514.db2.gz SBBDLOGUOKQWON-UHFFFAOYSA-N 0 0 398.156 3.466 10 5 GGBERN O=C(N[C@H]1CSc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000562928383 566835163 /nfs/dbraw/zinc/83/51/63/566835163.db2.gz QXYTXPZZONRANO-LBPRGKRZSA-N 0 0 380.223 3.329 10 5 GGBERN Cc1cccc(C(=O)Nc2cc(I)ccc2O)c1[N+](=O)[O-] ZINC000610485926 566835186 /nfs/dbraw/zinc/83/51/86/566835186.db2.gz ILYVVUOOXSPUML-UHFFFAOYSA-N 0 0 398.156 3.466 10 5 GGBERN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000562928382 566835872 /nfs/dbraw/zinc/83/58/72/566835872.db2.gz QXYTXPZZONRANO-GFCCVEGCSA-N 0 0 380.223 3.329 10 5 GGBERN CC[C@H](NC(=O)CCn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000610526968 566839774 /nfs/dbraw/zinc/83/97/74/566839774.db2.gz QOWFQRIXRALHPJ-AWEZNQCLSA-N 0 0 381.230 3.211 10 5 GGBERN COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610570907 566843167 /nfs/dbraw/zinc/84/31/67/566843167.db2.gz HBTHCNQJPNQPCB-UHFFFAOYSA-N 0 0 382.170 3.033 10 5 GGBERN CC(F)(F)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451605250 566848222 /nfs/dbraw/zinc/84/82/22/566848222.db2.gz DFEOXHVWAWKKCV-UHFFFAOYSA-N 0 0 376.303 3.327 10 5 GGBERN Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nn2c1OCCC2 ZINC000451619086 566852222 /nfs/dbraw/zinc/85/22/22/566852222.db2.gz WYGIKRQJUWDVQE-UHFFFAOYSA-N 0 0 395.213 3.205 10 5 GGBERN COc1ccccc1CCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517872996 566853026 /nfs/dbraw/zinc/85/30/26/566853026.db2.gz YYTDXXLTJZYMRL-UHFFFAOYSA-N 0 0 384.841 3.120 10 5 GGBERN CC(C)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000610715851 566855833 /nfs/dbraw/zinc/85/58/33/566855833.db2.gz QAYNOUHQBQEABX-ZDUSSCGKSA-N 0 0 376.862 3.122 10 5 GGBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000451644930 566855893 /nfs/dbraw/zinc/85/58/93/566855893.db2.gz WPYXRROHIAMNBU-UHFFFAOYSA-N 0 0 384.816 3.275 10 5 GGBERN CC(C)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610715850 566856121 /nfs/dbraw/zinc/85/61/21/566856121.db2.gz QAYNOUHQBQEABX-CYBMUJFWSA-N 0 0 376.862 3.122 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NCC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000451673758 566860610 /nfs/dbraw/zinc/86/06/10/566860610.db2.gz WKPSZEPYTVRYBS-UHFFFAOYSA-N 0 0 383.857 3.208 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000518292697 566875311 /nfs/dbraw/zinc/87/53/11/566875311.db2.gz GTDGSTZVRYVWRA-UHFFFAOYSA-N 0 0 393.241 3.340 10 5 GGBERN Cn1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2c1CCCC2 ZINC000451764715 566876828 /nfs/dbraw/zinc/87/68/28/566876828.db2.gz SMYNUVBRDLHORG-UHFFFAOYSA-N 0 0 379.214 3.222 10 5 GGBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000451774064 566879124 /nfs/dbraw/zinc/87/91/24/566879124.db2.gz DJCWLKPEAREMOC-DGCLKSJQSA-N 0 0 380.388 3.130 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000451797888 566884645 /nfs/dbraw/zinc/88/46/45/566884645.db2.gz AHAJGHVRPOOUKC-LBPRGKRZSA-N 0 0 388.873 3.184 10 5 GGBERN Cc1cccnc1CCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000451808038 566885879 /nfs/dbraw/zinc/88/58/79/566885879.db2.gz HXKINZKQYWTJMM-UHFFFAOYSA-N 0 0 383.857 3.171 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCOC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000611073258 566887609 /nfs/dbraw/zinc/88/76/09/566887609.db2.gz OOFQNWNGCMOPFQ-LLVKDONJSA-N 0 0 397.147 3.069 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCc3ncccc3C2)cc1[N+](=O)[O-] ZINC000611073697 566887663 /nfs/dbraw/zinc/88/76/63/566887663.db2.gz JYTUYNAIFTVFDB-UHFFFAOYSA-N 0 0 376.210 3.259 10 5 GGBERN O=[N+]([O-])c1cncc(Br)c1N1CCC2(C1)Oc1ccccc1O2 ZINC000582778330 566893165 /nfs/dbraw/zinc/89/31/65/566893165.db2.gz RHMCYEHJWIEATQ-UHFFFAOYSA-N 0 0 378.182 3.130 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Br)cc3OC)no2)n1 ZINC000582811437 566896946 /nfs/dbraw/zinc/89/69/46/566896946.db2.gz IKHKQNXVPIFQDL-UHFFFAOYSA-N 0 0 394.185 3.299 10 5 GGBERN CC1CCC(OC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000518667765 566899118 /nfs/dbraw/zinc/89/91/18/566899118.db2.gz LEOMMQAFNLSBLP-UHFFFAOYSA-N 0 0 388.511 3.405 10 5 GGBERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1O ZINC000543675554 566899732 /nfs/dbraw/zinc/89/97/32/566899732.db2.gz ZDPPTNGAHHQNMK-GXTWGEPZSA-N 0 0 385.258 3.226 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3cc(Br)cnc32)n1 ZINC000582850927 566900344 /nfs/dbraw/zinc/90/03/44/566900344.db2.gz DPZQNVUKORNVEC-UHFFFAOYSA-N 0 0 390.197 3.374 10 5 GGBERN COc1cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000429018801 566900911 /nfs/dbraw/zinc/90/09/11/566900911.db2.gz HZJNOXUMTNXMDZ-AWEZNQCLSA-N 0 0 399.216 3.328 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCC2)n1 ZINC000470766680 566903689 /nfs/dbraw/zinc/90/36/89/566903689.db2.gz QRLFAGOVRPGWBI-UHFFFAOYSA-N 0 0 387.870 3.371 10 5 GGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCc1ccccc1Br ZINC000518843024 566906036 /nfs/dbraw/zinc/90/60/36/566906036.db2.gz QFRSPDOOKUYBQG-UHFFFAOYSA-N 0 0 399.266 3.019 10 5 GGBERN O=C(COc1ccc(Cl)c(Cl)c1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518830947 566906983 /nfs/dbraw/zinc/90/69/83/566906983.db2.gz TVBZQFSKMWABSG-UHFFFAOYSA-N 0 0 385.203 3.476 10 5 GGBERN COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000470833397 566908163 /nfs/dbraw/zinc/90/81/63/566908163.db2.gz SAZPUHXIKACIGV-VIFPVBQESA-N 0 0 382.214 3.195 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000451924043 566909290 /nfs/dbraw/zinc/90/92/90/566909290.db2.gz BBKRYQJRFHUILC-UHFFFAOYSA-N 0 0 382.825 3.045 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(OC3CCCC3)cc2)s1 ZINC000563698585 566909780 /nfs/dbraw/zinc/90/97/80/566909780.db2.gz XZKIPMOWXSAXSV-UHFFFAOYSA-N 0 0 382.463 3.456 10 5 GGBERN CN(Cc1ccc(Br)c(F)c1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000491611786 566913741 /nfs/dbraw/zinc/91/37/41/566913741.db2.gz CYYWYRKPFDCZJN-UHFFFAOYSA-N 0 0 380.177 3.176 10 5 GGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ncsc1Br ZINC000563759532 566915143 /nfs/dbraw/zinc/91/51/43/566915143.db2.gz QHXGWWDTXGJXBX-UHFFFAOYSA-N 0 0 390.646 3.440 10 5 GGBERN O=[N+]([O-])c1cnc(N(CCO)Cc2cc(Br)cs2)c(Cl)c1 ZINC000491762097 566915608 /nfs/dbraw/zinc/91/56/08/566915608.db2.gz JWCIWALIBDZBBF-UHFFFAOYSA-N 0 0 392.662 3.466 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CC[C@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000611496862 566921486 /nfs/dbraw/zinc/92/14/86/566921486.db2.gz BAGQQJVFNSXFJZ-QPUJVOFHSA-N 0 0 395.250 3.034 10 5 GGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](OC(F)F)C2)cc1SC ZINC000611573346 566928687 /nfs/dbraw/zinc/92/86/87/566928687.db2.gz LUMIVCOIRIGUOF-VIFPVBQESA-N 0 0 376.381 3.169 10 5 GGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](OC(F)F)C2)cc1SC ZINC000611573340 566928940 /nfs/dbraw/zinc/92/89/40/566928940.db2.gz LUMIVCOIRIGUOF-SECBINFHSA-N 0 0 376.381 3.169 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000611585008 566930119 /nfs/dbraw/zinc/93/01/19/566930119.db2.gz AWBVMHISRPUYHQ-VIFPVBQESA-N 0 0 379.157 3.201 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](OC(F)F)C1 ZINC000611585412 566930183 /nfs/dbraw/zinc/93/01/83/566930183.db2.gz DUIFQEWSZHTLJM-SECBINFHSA-N 0 0 379.157 3.201 10 5 GGBERN O=[N+]([O-])c1ccc2ncnc(N[C@H](CO)c3cccc(Br)c3)c2c1 ZINC000611710916 566934187 /nfs/dbraw/zinc/93/41/87/566934187.db2.gz IBXFUBHUOZZBAA-OAHLLOKOSA-N 0 0 389.209 3.446 10 5 GGBERN Cc1nn(C)c(C)c1[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(F)(F)F ZINC000429605273 566941200 /nfs/dbraw/zinc/94/12/00/566941200.db2.gz PLSMHBVBGWNQNH-LBPRGKRZSA-N 0 0 376.360 3.348 10 5 GGBERN Cc1nccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1Br ZINC000519557608 566947333 /nfs/dbraw/zinc/94/73/33/566947333.db2.gz PGLWPMVTYGIISQ-UHFFFAOYSA-N 0 0 393.241 3.189 10 5 GGBERN Cc1c(NCC(=O)N(C)CC(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000429797034 566951122 /nfs/dbraw/zinc/95/11/22/566951122.db2.gz RVEANNAGRCIVJR-UHFFFAOYSA-N 0 0 384.152 3.098 10 5 GGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](n2ccnc2)C1 ZINC000612286190 566963830 /nfs/dbraw/zinc/96/38/30/566963830.db2.gz DQTBSKUTAUHYHC-CYBMUJFWSA-N 0 0 380.857 3.401 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(CCOc1cccc(Br)c1)CC2 ZINC000544442653 566964312 /nfs/dbraw/zinc/96/43/12/566964312.db2.gz RRZNTJXXANJIGR-UHFFFAOYSA-N 0 0 378.226 3.189 10 5 GGBERN COC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000612319153 566965443 /nfs/dbraw/zinc/96/54/43/566965443.db2.gz CZVBUHGIZWNSGA-UHFFFAOYSA-N 0 0 381.797 3.161 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c(Br)c1 ZINC000430002658 566974159 /nfs/dbraw/zinc/97/41/59/566974159.db2.gz OWXXOEFSSSEYJB-GXTWGEPZSA-N 0 0 397.250 3.192 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cc3c(c(Br)c1)OCO3)CC2 ZINC000612469164 566976439 /nfs/dbraw/zinc/97/64/39/566976439.db2.gz HBMWFTFXIUIZGW-UHFFFAOYSA-N 0 0 392.209 3.039 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c(Cl)cccc1Cl ZINC000519891649 566977722 /nfs/dbraw/zinc/97/77/22/566977722.db2.gz LKNZLHBGFXYBIH-UHFFFAOYSA-N 0 0 391.232 3.389 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000544842537 567000905 /nfs/dbraw/zinc/00/09/05/567000905.db2.gz FDTNNMSYBGXMNY-LBPRGKRZSA-N 0 0 389.216 3.314 10 5 GGBERN COC(=O)CC1(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CCCC1 ZINC000520437749 567005336 /nfs/dbraw/zinc/00/53/36/567005336.db2.gz JVLTUEKWRKZSFP-UHFFFAOYSA-N 0 0 399.241 3.271 10 5 GGBERN Cc1c(NC(=O)C(=O)Nc2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000430328497 567009634 /nfs/dbraw/zinc/00/96/34/567009634.db2.gz GXVWIIYZXVAVGX-UHFFFAOYSA-N 0 0 378.182 3.243 10 5 GGBERN COC(=O)c1ccc(OCC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000613109208 567014059 /nfs/dbraw/zinc/01/40/59/567014059.db2.gz SUQPMTJDMZEBRK-UHFFFAOYSA-N 0 0 394.177 3.406 10 5 GGBERN CCOc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000520692959 567018529 /nfs/dbraw/zinc/01/85/29/567018529.db2.gz NLPFWZRWSNBJLU-UHFFFAOYSA-N 0 0 388.804 3.265 10 5 GGBERN CC(C)[C@@H]1C[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000452832001 567021293 /nfs/dbraw/zinc/02/12/93/567021293.db2.gz LWFDXYQHOBOMJH-LRDDRELGSA-N 0 0 399.285 3.467 10 5 GGBERN COC[C@](C)(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000430618534 567024809 /nfs/dbraw/zinc/02/48/09/567024809.db2.gz VDKOLVHAWUVNOR-NSHDSACASA-N 0 0 385.136 3.055 10 5 GGBERN COC(=O)[C@H](CC(C)C)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452931672 567034147 /nfs/dbraw/zinc/03/41/47/567034147.db2.gz YDJZIZRBUBGGPH-ZDUSSCGKSA-N 0 0 387.230 3.017 10 5 GGBERN COc1ccccc1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431141491 567058704 /nfs/dbraw/zinc/05/87/04/567058704.db2.gz TUSYJZKUVFJOMW-UHFFFAOYSA-N 0 0 393.193 3.496 10 5 GGBERN O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccc(Cl)cc1Cl ZINC000495484093 567060046 /nfs/dbraw/zinc/06/00/46/567060046.db2.gz DNIQUVAKLNXZQI-UHFFFAOYSA-N 0 0 381.219 3.293 10 5 GGBERN Cc1nc([N+](=O)[O-])c(-c2noc(Cc3ccc(C)cc3Br)n2)n1C ZINC000453162292 567060053 /nfs/dbraw/zinc/06/00/53/567060053.db2.gz KTXBEPSKOHNCQS-UHFFFAOYSA-N 0 0 392.213 3.348 10 5 GGBERN CCc1sc(-c2nnc(CSc3ncc([N+](=O)[O-])c(N)n3)o2)cc1C ZINC000521462988 567061760 /nfs/dbraw/zinc/06/17/60/567061760.db2.gz UPYIECGWZCJSRB-UHFFFAOYSA-N 0 0 378.439 3.072 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000431166920 567062415 /nfs/dbraw/zinc/06/24/15/567062415.db2.gz KEFWSQWTTNIDIL-DZGCQCFKSA-N 0 0 376.210 3.347 10 5 GGBERN O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000521533972 567065323 /nfs/dbraw/zinc/06/53/23/567065323.db2.gz WAKAMTBQIDTUNA-UHFFFAOYSA-N 0 0 394.225 3.121 10 5 GGBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(I)cc3)no2)nc1 ZINC000545635424 567066672 /nfs/dbraw/zinc/06/66/72/567066672.db2.gz VSVFDNGYBOWYRG-UHFFFAOYSA-N 0 0 394.128 3.311 10 5 GGBERN CC(=O)N[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CCCC1 ZINC000431246276 567068392 /nfs/dbraw/zinc/06/83/92/567068392.db2.gz BHYLMECECGEHOF-OAHLLOKOSA-N 0 0 398.257 3.299 10 5 GGBERN Cc1c(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000431253836 567070365 /nfs/dbraw/zinc/07/03/65/567070365.db2.gz DZWRDTHWKLKELB-ZDUSSCGKSA-N 0 0 398.257 3.251 10 5 GGBERN Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nc(C)n1 ZINC000545742781 567073037 /nfs/dbraw/zinc/07/30/37/567073037.db2.gz UERDZGVAPVVJSB-UHFFFAOYSA-N 0 0 390.197 3.405 10 5 GGBERN O=[N+]([O-])c1ccc(Cc2noc(/C=C/c3cnccn3)n2)c(Br)c1 ZINC000545740102 567073123 /nfs/dbraw/zinc/07/31/23/567073123.db2.gz GNLJMTRBAAHHRR-DUXPYHPUSA-N 0 0 388.181 3.292 10 5 GGBERN COc1ncc(Br)cc1Cc1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000545764942 567074066 /nfs/dbraw/zinc/07/40/66/567074066.db2.gz NDSZCLRDVCGRBY-UHFFFAOYSA-N 0 0 391.181 3.402 10 5 GGBERN O=C1C[C@@H](c2cccc(Nc3ncc(Br)cc3[N+](=O)[O-])c2)CN1 ZINC000431427376 567080173 /nfs/dbraw/zinc/08/01/73/567080173.db2.gz NHEOYTUHGMJTLB-SNVBAGLBSA-N 0 0 377.198 3.099 10 5 GGBERN Cc1nn(C)c(C)c1CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585750549 567085622 /nfs/dbraw/zinc/08/56/22/567085622.db2.gz UXDCEXDFCOWZSB-UHFFFAOYSA-N 0 0 381.230 3.279 10 5 GGBERN COC(=O)c1cc(N[C@@H](C)c2ncc(Br)cn2)cc(C)c1[N+](=O)[O-] ZINC000431501215 567086686 /nfs/dbraw/zinc/08/66/86/567086686.db2.gz WOYSYQOZNKOEAK-VIFPVBQESA-N 0 0 395.213 3.415 10 5 GGBERN C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000585760847 567087862 /nfs/dbraw/zinc/08/78/62/567087862.db2.gz QUEYVOZKXVHHGP-QMMMGPOBSA-N 0 0 398.238 3.235 10 5 GGBERN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C(=O)c1cscn1 ZINC000453569991 567091416 /nfs/dbraw/zinc/09/14/16/567091416.db2.gz BJLPPRHWKYOFRG-NSHDSACASA-N 0 0 380.857 3.051 10 5 GGBERN COc1ccccc1OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000522019599 567092876 /nfs/dbraw/zinc/09/28/76/567092876.db2.gz KMUZGARUAMTPHC-UHFFFAOYSA-N 0 0 381.182 3.383 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCCC[C@H]1CCO ZINC000586835089 567099604 /nfs/dbraw/zinc/09/96/04/567099604.db2.gz DCNJWXJGVVYGCG-ZDUSSCGKSA-N 0 0 385.258 3.053 10 5 GGBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000587433871 567104615 /nfs/dbraw/zinc/10/46/15/567104615.db2.gz DRCQXUDJMSAMND-RDDDGLTNSA-N 0 0 397.147 3.149 10 5 GGBERN COc1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1Br ZINC000587780543 567104996 /nfs/dbraw/zinc/10/49/96/567104996.db2.gz YWRSIYNNHJFYQL-UHFFFAOYSA-N 0 0 382.214 3.053 10 5 GGBERN CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000588040226 567109209 /nfs/dbraw/zinc/10/92/09/567109209.db2.gz VCKXWZADVWRXCR-AWEZNQCLSA-N 0 0 377.413 3.225 10 5 GGBERN CN(Cc1ccc(F)cc1Br)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588032059 567109237 /nfs/dbraw/zinc/10/92/37/567109237.db2.gz ZKBLOBWZGNZRJN-UHFFFAOYSA-N 0 0 384.205 3.207 10 5 GGBERN Cc1c(Br)c(N2C[C@@H](C(F)(F)F)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC000588068425 567111332 /nfs/dbraw/zinc/11/13/32/567111332.db2.gz NNIVOCYBIFUPBJ-MUWHJKNJSA-N 0 0 384.152 3.217 10 5 GGBERN CCC1(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000453831274 567118348 /nfs/dbraw/zinc/11/83/48/567118348.db2.gz GEGUOUUFBLWSCI-UHFFFAOYSA-N 0 0 384.230 3.135 10 5 GGBERN C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431931854 567118851 /nfs/dbraw/zinc/11/88/51/567118851.db2.gz TWIQIIKWXILBNA-TXEJJXNPSA-N 0 0 384.274 3.350 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)n1 ZINC000497868270 567129878 /nfs/dbraw/zinc/12/98/78/567129878.db2.gz KTESXDLWGUCSCX-UHFFFAOYSA-N 0 0 378.694 3.175 10 5 GGBERN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c2ccc(Br)cc21 ZINC000588766739 567134964 /nfs/dbraw/zinc/13/49/64/567134964.db2.gz RZLGZAVLHAKAHC-UHFFFAOYSA-N 0 0 392.209 3.396 10 5 GGBERN Cc1nc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000497947687 567135100 /nfs/dbraw/zinc/13/51/00/567135100.db2.gz BFSLKOKELFHPNA-CYBMUJFWSA-N 0 0 385.492 3.104 10 5 GGBERN CCn1cc([C@@H]2CSCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cn1 ZINC000588811082 567139348 /nfs/dbraw/zinc/13/93/48/567139348.db2.gz XYUXONGCEJMNNT-HNNXBMFYSA-N 0 0 380.857 3.395 10 5 GGBERN CCc1nn(C)c(Nc2cc(OC)c(Br)c(OC)c2)c1[N+](=O)[O-] ZINC000588825641 567139359 /nfs/dbraw/zinc/13/93/59/567139359.db2.gz AYBFAUIFRBZBSJ-UHFFFAOYSA-N 0 0 385.218 3.414 10 5 GGBERN CCn1c(CNc2ccncc2[N+](=O)[O-])nc2cc(Br)ccc21 ZINC000588831914 567139562 /nfs/dbraw/zinc/13/95/62/567139562.db2.gz IKQOVEXKMQSONH-UHFFFAOYSA-N 0 0 376.214 3.156 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000474209487 567148194 /nfs/dbraw/zinc/14/81/94/567148194.db2.gz HQTCXXKEBGXTEF-INIZCTEOSA-N 0 0 388.873 3.138 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000474209489 567148264 /nfs/dbraw/zinc/14/82/64/567148264.db2.gz HQTCXXKEBGXTEF-MRXNPFEDSA-N 0 0 388.873 3.138 10 5 GGBERN C[C@H]1CC2(CCC2)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432310258 567149591 /nfs/dbraw/zinc/14/95/91/567149591.db2.gz HDMAGAROODUBRX-JTQLQIEISA-N 0 0 389.271 3.311 10 5 GGBERN C[C@H]1CC2(CCC2)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000432310279 567149970 /nfs/dbraw/zinc/14/99/70/567149970.db2.gz HIJSKUXCLNXODH-JTQLQIEISA-N 0 0 389.271 3.311 10 5 GGBERN C[C@@H]1CC2(CCC2)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432310259 567150243 /nfs/dbraw/zinc/15/02/43/567150243.db2.gz HDMAGAROODUBRX-SNVBAGLBSA-N 0 0 389.271 3.311 10 5 GGBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589021854 567150943 /nfs/dbraw/zinc/15/09/43/567150943.db2.gz UKCZGTNVBFAJOE-HQJQHLMTSA-N 0 0 397.147 3.149 10 5 GGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000589021580 567151183 /nfs/dbraw/zinc/15/11/83/567151183.db2.gz NXGOMQICPOPSBT-ZANVPECISA-N 0 0 378.372 3.499 10 5 GGBERN Cc1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c(C)c1Br ZINC000589147753 567160291 /nfs/dbraw/zinc/16/02/91/567160291.db2.gz KFRIYCLCKOUTLC-UHFFFAOYSA-N 0 0 378.186 3.425 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000432455698 567161080 /nfs/dbraw/zinc/16/10/80/567161080.db2.gz LNWYXNYDUAMPEN-QMMMGPOBSA-N 0 0 396.201 3.039 10 5 GGBERN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1coc(-c2ccc(F)cc2)n1 ZINC000474359711 567162076 /nfs/dbraw/zinc/16/20/76/567162076.db2.gz VKWLZVWDKXEGCS-UHFFFAOYSA-N 0 0 394.156 3.361 10 5 GGBERN Cc1ccc(NC(=O)N[C@@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000432482914 567162252 /nfs/dbraw/zinc/16/22/52/567162252.db2.gz KJDCRPFVORMZIH-VIFPVBQESA-N 0 0 380.202 3.338 10 5 GGBERN C[C@@H]1C[C@H](C)[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000474399640 567168591 /nfs/dbraw/zinc/16/85/91/567168591.db2.gz ZTDGRPCTGWIHTL-VWYCJHECSA-N 0 0 391.287 3.412 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Br)o1 ZINC000566585913 567170164 /nfs/dbraw/zinc/17/01/64/567170164.db2.gz ZIRQUOVEPAOUEY-UHFFFAOYSA-N 0 0 378.182 3.404 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN2CC[C@H](C(F)F)C2)c1 ZINC000589258223 567170440 /nfs/dbraw/zinc/17/04/40/567170440.db2.gz VIWSOMSYUHWHQF-VIFPVBQESA-N 0 0 382.148 3.286 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ncc(Br)s1 ZINC000432641922 567176063 /nfs/dbraw/zinc/17/60/63/567176063.db2.gz CUEJHGSOVQJIOA-QMMMGPOBSA-N 0 0 391.268 3.490 10 5 GGBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCSC[C@H]2c2nccs2)c1 ZINC000589510830 567181865 /nfs/dbraw/zinc/18/18/65/567181865.db2.gz XXNCDLUEIKFURO-AWEZNQCLSA-N 0 0 379.463 3.128 10 5 GGBERN COc1ncccc1CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000589486019 567182049 /nfs/dbraw/zinc/18/20/49/567182049.db2.gz GTTKEPNXRUQNOB-UHFFFAOYSA-N 0 0 394.225 3.042 10 5 GGBERN C[C@H](Cc1ccccc1Br)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589585170 567184152 /nfs/dbraw/zinc/18/41/52/567184152.db2.gz UEDGPONSJYHHEJ-SNVBAGLBSA-N 0 0 380.242 3.475 10 5 GGBERN O=[N+]([O-])c1cc(I)cc(CN2CCCSCC2)c1 ZINC000566766425 567188007 /nfs/dbraw/zinc/18/80/07/567188007.db2.gz MNKGEUWKSFFLQC-UHFFFAOYSA-N 0 0 378.235 3.138 10 5 GGBERN Cc1cccc2[nH]c(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])nc21 ZINC000498583627 567189541 /nfs/dbraw/zinc/18/95/41/567189541.db2.gz MDIGTIRASSRJIK-UHFFFAOYSA-N 0 0 389.209 3.472 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(-n2cccn2)n1 ZINC000566929503 567203514 /nfs/dbraw/zinc/20/35/14/567203514.db2.gz ORWRCNJQCWBIKE-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN O=C(N[C@H]1COc2ccc(F)cc2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000567015592 567211133 /nfs/dbraw/zinc/21/11/33/567211133.db2.gz FNWJWOCZRPEMCD-CYBMUJFWSA-N 0 0 395.184 3.230 10 5 GGBERN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)c(Br)c1 ZINC000590145766 567212314 /nfs/dbraw/zinc/21/23/14/567212314.db2.gz USKFNRXPUVRHLM-MRVPVSSYSA-N 0 0 380.177 3.134 10 5 GGBERN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ncc(Br)cn1 ZINC000432986045 567212372 /nfs/dbraw/zinc/21/23/72/567212372.db2.gz UIPVOQIMYCHZJN-QMMMGPOBSA-N 0 0 378.186 3.139 10 5 GGBERN CO[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1C ZINC000567032438 567212479 /nfs/dbraw/zinc/21/24/79/567212479.db2.gz REVJPPPAYYHIBU-YGRLFVJLSA-N 0 0 390.221 3.056 10 5 GGBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(Br)c(Cl)cc21 ZINC000615889234 567212886 /nfs/dbraw/zinc/21/28/86/567212886.db2.gz UILUFFFEATZVNU-UHFFFAOYSA-N 0 0 398.600 3.314 10 5 GGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nn(C)cc1Br ZINC000454945315 567215891 /nfs/dbraw/zinc/21/58/91/567215891.db2.gz RXVICOYNZQTLNI-UHFFFAOYSA-N 0 0 382.218 3.029 10 5 GGBERN CN(C)C(=O)c1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000567185293 567225201 /nfs/dbraw/zinc/22/52/01/567225201.db2.gz QNUREZMHYGXKPS-UHFFFAOYSA-N 0 0 392.209 3.311 10 5 GGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nn(C)cc1Br ZINC000455141115 567237767 /nfs/dbraw/zinc/23/77/67/567237767.db2.gz NKLDYAKZJJADJH-UHFFFAOYSA-N 0 0 382.218 3.029 10 5 GGBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000433270081 567238790 /nfs/dbraw/zinc/23/87/90/567238790.db2.gz QJUOWWBCDPSSIA-XHDPSFHLSA-N 0 0 385.258 3.418 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)NC2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590764559 567246343 /nfs/dbraw/zinc/24/63/43/567246343.db2.gz PWJWCECBTLXYEU-UHFFFAOYSA-N 0 0 398.815 3.385 10 5 GGBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CCC(OC(F)F)CC2)c1 ZINC000590764636 567246497 /nfs/dbraw/zinc/24/64/97/567246497.db2.gz JTMZVRLKEUHJOU-UHFFFAOYSA-N 0 0 378.397 3.040 10 5 GGBERN Cc1ccc(S(=O)(=O)NCc2cc(F)c(Cl)cc2F)cc1[N+](=O)[O-] ZINC000433440379 567249177 /nfs/dbraw/zinc/24/91/77/567249177.db2.gz AUURWOQDGGTVFO-UHFFFAOYSA-N 0 0 376.768 3.313 10 5 GGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2cc(F)c(Cl)cc2F)cc1 ZINC000433444276 567250425 /nfs/dbraw/zinc/25/04/25/567250425.db2.gz QQKMVIOHOYJMMA-UHFFFAOYSA-N 0 0 390.795 3.189 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cc(F)c(Cl)cc2F)c1 ZINC000433450499 567250924 /nfs/dbraw/zinc/25/09/24/567250924.db2.gz NGJWWJJFPZGKSK-UHFFFAOYSA-N 0 0 376.768 3.146 10 5 GGBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncccc1Br ZINC000567512703 567253567 /nfs/dbraw/zinc/25/35/67/567253567.db2.gz FKMJAOBNSBBPTF-UHFFFAOYSA-N 0 0 389.209 3.206 10 5 GGBERN CCOc1cccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000433486571 567253983 /nfs/dbraw/zinc/25/39/83/567253983.db2.gz FQTSGHYDNLZYQE-UHFFFAOYSA-N 0 0 384.841 3.168 10 5 GGBERN CC1(C2(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000590884395 567255287 /nfs/dbraw/zinc/25/52/87/567255287.db2.gz JFMQLASAFHBHJB-UHFFFAOYSA-N 0 0 386.189 3.262 10 5 GGBERN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000525687574 567257995 /nfs/dbraw/zinc/25/79/95/567257995.db2.gz QUUGNBCOSOSIIQ-LLVKDONJSA-N 0 0 388.232 3.262 10 5 GGBERN COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl ZINC000433593222 567260261 /nfs/dbraw/zinc/26/02/61/567260261.db2.gz WKHREQNQHBKHRK-UHFFFAOYSA-N 0 0 384.797 3.422 10 5 GGBERN Cc1c(NC(=O)N2CC[C@H](CCCO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000455351919 567263428 /nfs/dbraw/zinc/26/34/28/567263428.db2.gz IUZAUHLLWVKOBR-NSHDSACASA-N 0 0 386.246 3.292 10 5 GGBERN Cc1c(NC(=O)NC2(CF)CCOCC2)cc(Br)cc1[N+](=O)[O-] ZINC000455349181 567263448 /nfs/dbraw/zinc/26/34/48/567263448.db2.gz FLAKXVXLCNKBSH-UHFFFAOYSA-N 0 0 390.209 3.306 10 5 GGBERN Cc1c(NC(=O)N[C@H](C)Cc2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000455349100 567263508 /nfs/dbraw/zinc/26/35/08/567263508.db2.gz DZOONENHQXGHJN-SECBINFHSA-N 0 0 396.245 3.152 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@H](CO)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000455354201 567263564 /nfs/dbraw/zinc/26/35/64/567263564.db2.gz LHJNBVCGXWYDAP-NSHDSACASA-N 0 0 386.246 3.292 10 5 GGBERN Cc1c(NC(=O)N[C@@H](C)Cc2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000455349102 567263614 /nfs/dbraw/zinc/26/36/14/567263614.db2.gz DZOONENHQXGHJN-VIFPVBQESA-N 0 0 396.245 3.152 10 5 GGBERN CC[C@@H]1[C@H](CO)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000455354978 567264102 /nfs/dbraw/zinc/26/41/02/567264102.db2.gz NBLJULRJXNGNRB-GXFFZTMASA-N 0 0 386.246 3.290 10 5 GGBERN Cc1c(NC(=O)NC[C@]2(O)CCC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000455360952 567264186 /nfs/dbraw/zinc/26/41/86/567264186.db2.gz UQXIHWYIWCVJPL-BJOHPYRUSA-N 0 0 386.246 3.338 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccccc1SC ZINC000499660327 567264564 /nfs/dbraw/zinc/26/45/64/567264564.db2.gz NYKLHCZXYVZMHY-LLVKDONJSA-N 0 0 382.463 3.365 10 5 GGBERN CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(CC)CC ZINC000433740875 567270731 /nfs/dbraw/zinc/27/07/31/567270731.db2.gz DYUSLUNXIJXZOW-VXGBXAGGSA-N 0 0 376.500 3.261 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000455398955 567271072 /nfs/dbraw/zinc/27/10/72/567271072.db2.gz JBKGAJXTNXMVGJ-LSDHHAIUSA-N 0 0 398.257 3.276 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](O)C12CCCC2 ZINC000455404978 567271102 /nfs/dbraw/zinc/27/11/02/567271102.db2.gz SCFJGTUIHAWGRS-ZDUSSCGKSA-N 0 0 384.230 3.269 10 5 GGBERN CC(C)n1cnnc1CN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455405025 567271212 /nfs/dbraw/zinc/27/12/12/567271212.db2.gz SJCGGDVNLWWVQD-UHFFFAOYSA-N 0 0 397.233 3.194 10 5 GGBERN C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2nccn21 ZINC000455397645 567271396 /nfs/dbraw/zinc/27/13/96/567271396.db2.gz GLHHAXQZMFDVOE-PELKAZGASA-N 0 0 380.202 3.381 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCc3sc(Cl)cc3C2)cc1 ZINC000567791175 567278785 /nfs/dbraw/zinc/27/87/85/567278785.db2.gz JUDDRVRERUIIGF-UHFFFAOYSA-N 0 0 386.882 3.142 10 5 GGBERN Cc1nccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1Br ZINC000526100190 567293387 /nfs/dbraw/zinc/29/33/87/567293387.db2.gz OPMXIMIRMCGHDL-MRVPVSSYSA-N 0 0 382.189 3.364 10 5 GGBERN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000526780630 567295829 /nfs/dbraw/zinc/29/58/29/567295829.db2.gz NGWIKQXKAJPUTA-IINYFYTJSA-N 0 0 380.173 3.177 10 5 GGBERN CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000500091173 567298792 /nfs/dbraw/zinc/29/87/92/567298792.db2.gz MDSVKDJNUAFYBB-UHFFFAOYSA-N 0 0 379.419 3.306 10 5 GGBERN CSc1cccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000434297137 567304196 /nfs/dbraw/zinc/30/41/96/567304196.db2.gz DQSWYPSHBWQUQG-TVQRCGJNSA-N 0 0 378.372 3.092 10 5 GGBERN Cc1cc(Br)ccc1CN(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000434341520 567305477 /nfs/dbraw/zinc/30/54/77/567305477.db2.gz LZPMPFIQNLXWIB-UHFFFAOYSA-N 0 0 380.198 3.039 10 5 GGBERN COC(=O)c1cccc2c1CN(c1c(Br)cncc1[N+](=O)[O-])CC2 ZINC000591988758 567306769 /nfs/dbraw/zinc/30/67/69/567306769.db2.gz JUOMWBLLYGQVNX-UHFFFAOYSA-N 0 0 392.209 3.102 10 5 GGBERN CCc1ccc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000592053701 567310972 /nfs/dbraw/zinc/31/09/72/567310972.db2.gz OFXSMGQKDDQZBX-NSHDSACASA-N 0 0 395.384 3.196 10 5 GGBERN CCc1ccc(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000592053700 567311175 /nfs/dbraw/zinc/31/11/75/567311175.db2.gz OFXSMGQKDDQZBX-LLVKDONJSA-N 0 0 395.384 3.196 10 5 GGBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527064505 567311590 /nfs/dbraw/zinc/31/15/90/567311590.db2.gz FNUARSSSTRKOTN-UHFFFAOYSA-N 0 0 393.119 3.211 10 5 GGBERN CC1(CC(F)F)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000592073333 567312773 /nfs/dbraw/zinc/31/27/73/567312773.db2.gz GAKNAOJETYXWDY-UHFFFAOYSA-N 0 0 399.213 3.023 10 5 GGBERN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(F)F ZINC000592067454 567313091 /nfs/dbraw/zinc/31/30/91/567313091.db2.gz QJIANSQPMCRRDS-ZETCQYMHSA-N 0 0 376.303 3.183 10 5 GGBERN C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(F)F ZINC000592067122 567313374 /nfs/dbraw/zinc/31/33/74/567313374.db2.gz MZFLULPPTPPJJI-SSDOTTSWSA-N 0 0 376.303 3.183 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCC(F)CC2)c(Br)c1 ZINC000592105362 567315369 /nfs/dbraw/zinc/31/53/69/567315369.db2.gz FAYGHMXKUIZNGE-UHFFFAOYSA-N 0 0 395.250 3.164 10 5 GGBERN O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1ccc2ncsc2c1 ZINC000476436152 567324739 /nfs/dbraw/zinc/32/47/39/567324739.db2.gz XUKYARSGLAONQC-UHFFFAOYSA-N 0 0 375.431 3.346 10 5 GGBERN CN(Cc1cc(Cl)ccc1F)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000434757409 567325843 /nfs/dbraw/zinc/32/58/43/567325843.db2.gz PPRABUBMWOUSSG-UHFFFAOYSA-N 0 0 386.832 3.392 10 5 GGBERN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC1CCC2(CC2)CC1 ZINC000434777964 567327275 /nfs/dbraw/zinc/32/72/75/567327275.db2.gz VVVZQKAMLVWPIS-UHFFFAOYSA-N 0 0 389.271 3.358 10 5 GGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1cc(Cl)ccc1F ZINC000434773893 567327869 /nfs/dbraw/zinc/32/78/69/567327869.db2.gz GCMANEKTKJTPQO-UHFFFAOYSA-N 0 0 388.804 3.217 10 5 GGBERN O=[N+]([O-])c1cc(I)ccc1OCCC[C@H]1CCOC1 ZINC000592349964 567330742 /nfs/dbraw/zinc/33/07/42/567330742.db2.gz OMIFCFYSISHHLI-JTQLQIEISA-N 0 0 377.178 3.395 10 5 GGBERN COc1ccc(NC(=O)CN2CCc3sc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC000568507084 567334372 /nfs/dbraw/zinc/33/43/72/567334372.db2.gz WHJORLVBTOZVLU-UHFFFAOYSA-N 0 0 381.841 3.315 10 5 GGBERN CSC[C@H]1CCCN1c1nnc(CSc2ccccc2[N+](=O)[O-])n1C ZINC000592401127 567336904 /nfs/dbraw/zinc/33/69/04/567336904.db2.gz AMWMIWNWRJQEBR-GFCCVEGCSA-N 0 0 379.511 3.347 10 5 GGBERN C[C@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)n1cc(Br)cn1 ZINC000592580708 567346516 /nfs/dbraw/zinc/34/65/16/567346516.db2.gz SXQJRHPAJHGEEA-MNOVXSKESA-N 0 0 393.241 3.483 10 5 GGBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592685908 567354098 /nfs/dbraw/zinc/35/40/98/567354098.db2.gz FCLFGIVUOJMOHB-NSHDSACASA-N 0 0 387.230 3.065 10 5 GGBERN COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592688139 567355422 /nfs/dbraw/zinc/35/54/22/567355422.db2.gz HGTVKRQTWSURRN-GFCCVEGCSA-N 0 0 387.230 3.065 10 5 GGBERN COc1cc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)ccn1 ZINC000435330781 567355736 /nfs/dbraw/zinc/35/57/36/567355736.db2.gz WEIYHYGEVZYAGH-UHFFFAOYSA-N 0 0 395.213 3.391 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)n1 ZINC000456261554 567355848 /nfs/dbraw/zinc/35/58/48/567355848.db2.gz DCAPDFCTKMYYHB-LLVKDONJSA-N 0 0 397.204 3.130 10 5 GGBERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592706304 567356016 /nfs/dbraw/zinc/35/60/16/567356016.db2.gz ULYUBYFUBDWUHP-VGKMCQHDSA-N 0 0 388.873 3.041 10 5 GGBERN Cc1c(NC(=O)NC[C@@H](C)Cn2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435324188 567356109 /nfs/dbraw/zinc/35/61/09/567356109.db2.gz TZJVORJMVGBUNV-SNVBAGLBSA-N 0 0 396.245 3.320 10 5 GGBERN Cc1c(NC(=O)NC[C@H](C)Cn2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435324187 567356284 /nfs/dbraw/zinc/35/62/84/567356284.db2.gz TZJVORJMVGBUNV-JTQLQIEISA-N 0 0 396.245 3.320 10 5 GGBERN Cc1c(NC(=O)NCCc2ccccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435323415 567356316 /nfs/dbraw/zinc/35/63/16/567356316.db2.gz MOFLCVJOIZSCPV-UHFFFAOYSA-N 0 0 379.214 3.425 10 5 GGBERN Cc1c(NC(=O)N[C@H](CO)CC2CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435328375 567356334 /nfs/dbraw/zinc/35/63/34/567356334.db2.gz KUGYPEPECWSCKD-LBPRGKRZSA-N 0 0 386.246 3.338 10 5 GGBERN Cc1c(NC(=O)NCCNc2ccccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435327338 567356367 /nfs/dbraw/zinc/35/63/67/567356367.db2.gz GPGOMKVKQSWNFO-UHFFFAOYSA-N 0 0 394.229 3.294 10 5 GGBERN COc1ncccc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435323953 567356377 /nfs/dbraw/zinc/35/63/77/567356377.db2.gz QXYJGBZCDPRQBB-UHFFFAOYSA-N 0 0 395.213 3.391 10 5 GGBERN CC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1csc(C)c1 ZINC000592727488 567358156 /nfs/dbraw/zinc/35/81/56/567358156.db2.gz BJBRJWARGBSNFP-CYBMUJFWSA-N 0 0 382.463 3.249 10 5 GGBERN Cc1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3Br)C2)n(C)n1 ZINC000618173705 567359819 /nfs/dbraw/zinc/35/98/19/567359819.db2.gz WBMXGXDBDPPKMK-GFCCVEGCSA-N 0 0 394.273 3.480 10 5 GGBERN Cc1ccc(CN(CCO)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000501083649 567362991 /nfs/dbraw/zinc/36/29/91/567362991.db2.gz MQHDICVDRLMRQX-UHFFFAOYSA-N 0 0 398.213 3.285 10 5 GGBERN Cc1noc(C)c1CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501082036 567363292 /nfs/dbraw/zinc/36/32/92/567363292.db2.gz HKHLQOQMGSKDMW-UHFFFAOYSA-N 0 0 383.202 3.326 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H](CO)c1cccc(F)c1 ZINC000501100959 567363753 /nfs/dbraw/zinc/36/37/53/567363753.db2.gz RBLGLSMKZOGJOY-AWEZNQCLSA-N 0 0 398.188 3.352 10 5 GGBERN C[C@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)Cn1cccn1 ZINC000501097829 567364568 /nfs/dbraw/zinc/36/45/68/567364568.db2.gz CPFAAFJUGYUZRK-SNVBAGLBSA-N 0 0 382.218 3.012 10 5 GGBERN O=C(Nc1ccc2c(c1)CC(=O)N2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501109884 567365880 /nfs/dbraw/zinc/36/58/80/567365880.db2.gz XRCVOFZTWPOOIJ-UHFFFAOYSA-N 0 0 391.181 3.496 10 5 GGBERN CC1(C)[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000501106564 567366517 /nfs/dbraw/zinc/36/65/17/567366517.db2.gz LRXVXRYDSBYKHR-YNEHKIRRSA-N 0 0 384.230 3.292 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(F)cc1 ZINC000501128083 567368465 /nfs/dbraw/zinc/36/84/65/567368465.db2.gz KRWGCPSIQIQHHZ-AWEZNQCLSA-N 0 0 398.188 3.352 10 5 GGBERN Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000592949142 567373658 /nfs/dbraw/zinc/37/36/58/567373658.db2.gz GTMAWWOSEVZRHQ-UHFFFAOYSA-N 0 0 381.230 3.495 10 5 GGBERN NS(=O)(=O)c1cccc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000435582896 567375653 /nfs/dbraw/zinc/37/56/53/567375653.db2.gz CNUSIHYOAKPOAU-AULYBMBSSA-N 0 0 381.841 3.254 10 5 GGBERN O=C(Cc1cn2ccccc2n1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501302459 567378885 /nfs/dbraw/zinc/37/88/85/567378885.db2.gz KJHPSEZPKSRPMU-UHFFFAOYSA-N 0 0 375.182 3.186 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000477202556 567380225 /nfs/dbraw/zinc/38/02/25/567380225.db2.gz CHCFFYCVSDTEEU-UHFFFAOYSA-N 0 0 383.813 3.180 10 5 GGBERN Cn1cnc2cc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)ccc21 ZINC000501304839 567380746 /nfs/dbraw/zinc/38/07/46/567380746.db2.gz FKPZRPMIJQHNHC-UHFFFAOYSA-N 0 0 375.182 3.496 10 5 GGBERN CCO[C@@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000549286397 567384196 /nfs/dbraw/zinc/38/41/96/567384196.db2.gz YBUDKRRHDMSSHC-BPLDGKMQSA-N 0 0 381.230 3.384 10 5 GGBERN CC1(C)COC[C@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000456528907 567388300 /nfs/dbraw/zinc/38/83/00/567388300.db2.gz ZBJDEAFKXBZBOW-GFCCVEGCSA-N 0 0 378.372 3.247 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCOCC12CCCCC2 ZINC000456517070 567388534 /nfs/dbraw/zinc/38/85/34/567388534.db2.gz FQGXEIRRPZGLEP-UHFFFAOYSA-N 0 0 397.269 3.462 10 5 GGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000618466659 567392308 /nfs/dbraw/zinc/39/23/08/567392308.db2.gz URDVBHGZIGSJIO-CYBMUJFWSA-N 0 0 380.750 3.332 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(I)ccc1O ZINC000618469116 567392837 /nfs/dbraw/zinc/39/28/37/567392837.db2.gz QHDXUOQTTIFTNX-UHFFFAOYSA-N 0 0 398.156 3.466 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ccc(Br)cc3)no2)n1 ZINC000569288313 567393812 /nfs/dbraw/zinc/39/38/12/567393812.db2.gz CGKZFCXANVXSNI-UHFFFAOYSA-N 0 0 378.186 3.215 10 5 GGBERN Cc1nn(C)c(C(=O)NC2(c3ccccc3Br)CCC2)c1[N+](=O)[O-] ZINC000593197769 567394932 /nfs/dbraw/zinc/39/49/32/567394932.db2.gz XQUVBRZLGXBDDS-UHFFFAOYSA-N 0 0 393.241 3.208 10 5 GGBERN COC(=O)c1csc(CSCc2cc(C(=O)OC)ccc2[N+](=O)[O-])n1 ZINC000593200213 567395209 /nfs/dbraw/zinc/39/52/09/567395209.db2.gz UENRDKHMJXDHGA-UHFFFAOYSA-N 0 0 382.419 3.058 10 5 GGBERN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000456643802 567397986 /nfs/dbraw/zinc/39/79/86/567397986.db2.gz IDZCCRPLSRNSIT-JTQLQIEISA-N 0 0 379.766 3.204 10 5 GGBERN Cc1cc(C)c2c(c1)N(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000593218553 567399643 /nfs/dbraw/zinc/39/96/43/567399643.db2.gz VUEWIFIUIZCZJB-UHFFFAOYSA-N 0 0 382.825 3.453 10 5 GGBERN CCc1sc(-c2nnc(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)o2)cc1C ZINC000477576534 567402489 /nfs/dbraw/zinc/40/24/89/567402489.db2.gz ONHZXNQNOOTSIU-UHFFFAOYSA-N 0 0 380.813 3.441 10 5 GGBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]1n1cccn1 ZINC000549684345 567403247 /nfs/dbraw/zinc/40/32/47/567403247.db2.gz RXWDGZREDJCAKJ-KFWWJZLASA-N 0 0 381.230 3.384 10 5 GGBERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593279668 567403676 /nfs/dbraw/zinc/40/36/76/567403676.db2.gz VQGFEMPLXPVHNZ-HNNXBMFYSA-N 0 0 383.242 3.292 10 5 GGBERN O=c1[nH]c2c(cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCCC2 ZINC000593285298 567403748 /nfs/dbraw/zinc/40/37/48/567403748.db2.gz QUFDRGZUGJAPNQ-UHFFFAOYSA-N 0 0 383.813 3.028 10 5 GGBERN Cc1c(Br)cc(C(=O)N2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000456706434 567404956 /nfs/dbraw/zinc/40/49/56/567404956.db2.gz FMPVDSYMJJULSO-INIZCTEOSA-N 0 0 383.242 3.308 10 5 GGBERN Cc1c(Br)c(=O)n(Cc2cc(OC(C)C)ccn2)cc1[N+](=O)[O-] ZINC000593422117 567412293 /nfs/dbraw/zinc/41/22/93/567412293.db2.gz JFXYSTMFAMVIJD-UHFFFAOYSA-N 0 0 382.214 3.058 10 5 GGBERN CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502007890 567415984 /nfs/dbraw/zinc/41/59/84/567415984.db2.gz GZUGWBIOWVBBPL-INIZCTEOSA-N 0 0 392.253 3.469 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)n1 ZINC000502094080 567418970 /nfs/dbraw/zinc/41/89/70/567418970.db2.gz RLAHBNDJLPJHSG-UHFFFAOYSA-N 0 0 377.813 3.281 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CCOC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000549984830 567421828 /nfs/dbraw/zinc/42/18/28/567421828.db2.gz QIIFLAIOQIICFN-CYBMUJFWSA-N 0 0 388.873 3.136 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)nc1 ZINC000593545384 567422247 /nfs/dbraw/zinc/42/22/47/567422247.db2.gz DCAYKFLWGJXNBU-CQSZACIVSA-N 0 0 399.881 3.122 10 5 GGBERN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593555647 567423908 /nfs/dbraw/zinc/42/39/08/567423908.db2.gz GMVAJJQDSJEERT-NEPJUHHUSA-N 0 0 383.857 3.456 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)n1 ZINC000436457296 567425443 /nfs/dbraw/zinc/42/54/43/567425443.db2.gz MHLZPTHZCVVKIB-NSHDSACASA-N 0 0 380.685 3.154 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)n1 ZINC000436457294 567425585 /nfs/dbraw/zinc/42/55/85/567425585.db2.gz MHLZPTHZCVVKIB-LLVKDONJSA-N 0 0 380.685 3.154 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)nc1 ZINC000593603603 567427055 /nfs/dbraw/zinc/42/70/55/567427055.db2.gz WJJOXZSJGCGCIC-OAHLLOKOSA-N 0 0 385.804 3.212 10 5 GGBERN Cc1c(Br)cc(S(=O)(=O)N2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000593618056 567428638 /nfs/dbraw/zinc/42/86/38/567428638.db2.gz GBYJUMHRPGBLPG-UHFFFAOYSA-N 0 0 389.271 3.373 10 5 GGBERN Cc1sc(S(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1[N+](=O)[O-] ZINC000593626488 567429323 /nfs/dbraw/zinc/42/93/23/567429323.db2.gz AXPVQKFVRJJFKZ-UHFFFAOYSA-N 0 0 388.364 3.020 10 5 GGBERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593648404 567430806 /nfs/dbraw/zinc/43/08/06/567430806.db2.gz YIUXQEDBVDSRGF-SECBINFHSA-N 0 0 395.264 3.234 10 5 GGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593667782 567433274 /nfs/dbraw/zinc/43/32/74/567433274.db2.gz ZAPMYMSGRYMMFV-LLVKDONJSA-N 0 0 386.298 3.033 10 5 GGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593665317 567433429 /nfs/dbraw/zinc/43/34/29/567433429.db2.gz GRIMCINNHUAKKL-NSHDSACASA-N 0 0 387.191 3.321 10 5 GGBERN Cc1cc(Br)c2ccccc2c1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000478092930 567435227 /nfs/dbraw/zinc/43/52/27/567435227.db2.gz RUWVPPWVMOKECM-UHFFFAOYSA-N 0 0 390.197 3.049 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc(CO)c(F)c1 ZINC000550273025 567437071 /nfs/dbraw/zinc/43/70/71/567437071.db2.gz ZJBYIXCNGCUWTH-UHFFFAOYSA-N 0 0 397.200 3.227 10 5 GGBERN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Br)cn1 ZINC000569846635 567437957 /nfs/dbraw/zinc/43/79/57/567437957.db2.gz VMMZXNDPJXWSRY-UHFFFAOYSA-N 0 0 386.152 3.236 10 5 GGBERN CCn1c(CNc2c([N+](=O)[O-])ncn2C)nc2cc(Br)ccc21 ZINC000478139191 567438378 /nfs/dbraw/zinc/43/83/78/567438378.db2.gz UKKQKGWXVJHBIJ-UHFFFAOYSA-N 0 0 379.218 3.073 10 5 GGBERN COC(=O)c1cc(C)nc(N(C)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000550345888 567443275 /nfs/dbraw/zinc/44/32/75/567443275.db2.gz MCTVUHKCAMNPDF-UHFFFAOYSA-N 0 0 394.225 3.484 10 5 GGBERN CC(C)n1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000570066053 567455251 /nfs/dbraw/zinc/45/52/51/567455251.db2.gz NZMSPIVGMWFQIH-UHFFFAOYSA-N 0 0 382.218 3.456 10 5 GGBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1csc(Br)c1 ZINC000570076913 567456822 /nfs/dbraw/zinc/45/68/22/567456822.db2.gz NTBBGHPDXULLGJ-UHFFFAOYSA-N 0 0 382.195 3.284 10 5 GGBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Br ZINC000594071998 567456978 /nfs/dbraw/zinc/45/69/78/567456978.db2.gz MSKFMYBNKHUKGZ-GJZGRUSLSA-N 0 0 383.242 3.435 10 5 GGBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594072970 567457381 /nfs/dbraw/zinc/45/73/81/567457381.db2.gz QPXBKOICLNDADF-LSDHHAIUSA-N 0 0 383.242 3.435 10 5 GGBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(Cl)cc1Cl ZINC000619472973 567457686 /nfs/dbraw/zinc/45/76/86/567457686.db2.gz SPISJXXYPVPAKJ-UHFFFAOYSA-N 0 0 391.232 3.389 10 5 GGBERN COC[C@@H](CC(C)(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000594138163 567461357 /nfs/dbraw/zinc/46/13/57/567461357.db2.gz OLKJHLDJBVMDEX-GFCCVEGCSA-N 0 0 387.274 3.467 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594166779 567462860 /nfs/dbraw/zinc/46/28/60/567462860.db2.gz YITVXZNCYZWSGS-AAEUAGOBSA-N 0 0 380.750 3.407 10 5 GGBERN CC[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594180365 567462999 /nfs/dbraw/zinc/46/29/99/567462999.db2.gz ZLXDBLSLGYYLNV-PSASIEDQSA-N 0 0 377.260 3.496 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@H](CCO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541098 567463382 /nfs/dbraw/zinc/46/33/82/567463382.db2.gz LLXXTHGHXTZDLP-LLVKDONJSA-N 0 0 386.246 3.292 10 5 GGBERN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCCO1 ZINC000594179302 567463494 /nfs/dbraw/zinc/46/34/94/567463494.db2.gz XJDNZRSRIZMFCT-CABCVRRESA-N 0 0 385.258 3.364 10 5 GGBERN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000550986945 567470786 /nfs/dbraw/zinc/47/07/86/567470786.db2.gz GLDVXYTWZCJTAY-UHFFFAOYSA-N 0 0 396.266 3.416 10 5 GGBERN C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000570299837 567473082 /nfs/dbraw/zinc/47/30/82/567473082.db2.gz NDQHWGNFJZRXAV-JTQLQIEISA-N 0 0 392.209 3.173 10 5 GGBERN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Br)cc(C(C)(C)C)c1O ZINC000594380850 567473266 /nfs/dbraw/zinc/47/32/66/567473266.db2.gz BAGSGDNYHUACOT-UHFFFAOYSA-N 0 0 397.229 3.346 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000619753588 567478821 /nfs/dbraw/zinc/47/88/21/567478821.db2.gz KCYMZYHWKZVVEW-CYBMUJFWSA-N 0 0 378.372 3.338 10 5 GGBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000619753582 567478832 /nfs/dbraw/zinc/47/88/32/567478832.db2.gz JMFKORUVRYTXJG-CYBMUJFWSA-N 0 0 378.372 3.338 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000619753564 567479153 /nfs/dbraw/zinc/47/91/53/567479153.db2.gz DWPKSYDIJVQQCI-SECBINFHSA-N 0 0 384.401 3.400 10 5 GGBERN COc1ccc(S(=O)(=O)N[C@@H](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000594486123 567480294 /nfs/dbraw/zinc/48/02/94/567480294.db2.gz DHLXLOPWPAXJNS-JTQLQIEISA-N 0 0 378.397 3.096 10 5 GGBERN COc1ccc(S(=O)(=O)N[C@H](C)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000594488138 567481698 /nfs/dbraw/zinc/48/16/98/567481698.db2.gz PKVWJXGUSYLHNT-SNVBAGLBSA-N 0 0 378.397 3.096 10 5 GGBERN C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000594488933 567481806 /nfs/dbraw/zinc/48/18/06/567481806.db2.gz XAWAKCQUYJGRTK-GFCCVEGCSA-N 0 0 376.425 3.271 10 5 GGBERN C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594488940 567482192 /nfs/dbraw/zinc/48/21/92/567482192.db2.gz XCJCITLGOIDVDH-LBPRGKRZSA-N 0 0 376.425 3.271 10 5 GGBERN CSc1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000570420122 567483267 /nfs/dbraw/zinc/48/32/67/567483267.db2.gz SLHDCVMLIKILRS-QMMMGPOBSA-N 0 0 397.254 3.360 10 5 GGBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1nccn1CC(F)(F)F ZINC000437245093 567485418 /nfs/dbraw/zinc/48/54/18/567485418.db2.gz OLSCDBHGEXXDKF-SNVBAGLBSA-N 0 0 377.344 3.030 10 5 GGBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000478894246 567488599 /nfs/dbraw/zinc/48/85/99/567488599.db2.gz FSFCBHFVRFBKRB-RISCZKNCSA-N 0 0 380.388 3.130 10 5 GGBERN C[C@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000478894248 567488725 /nfs/dbraw/zinc/48/87/25/567488725.db2.gz FSFCBHFVRFBKRB-SMDDNHRTSA-N 0 0 380.388 3.130 10 5 GGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCOc2cccc(Br)c2C1 ZINC000594604743 567489809 /nfs/dbraw/zinc/48/98/09/567489809.db2.gz YKUHKQHNUFXGAD-UHFFFAOYSA-N 0 0 381.230 3.281 10 5 GGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCOc2cccc(Br)c2C1 ZINC000594604755 567490014 /nfs/dbraw/zinc/49/00/14/567490014.db2.gz ZCIJMQGPULGNAD-UHFFFAOYSA-N 0 0 381.230 3.281 10 5 GGBERN COc1ccc(CNC(=O)CNc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551358941 567500456 /nfs/dbraw/zinc/50/04/56/567500456.db2.gz XPFPJIYAYIGQCS-UHFFFAOYSA-N 0 0 394.225 3.094 10 5 GGBERN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000551360375 567500489 /nfs/dbraw/zinc/50/04/89/567500489.db2.gz QGTURFXJVCFZQW-UHFFFAOYSA-N 0 0 390.237 3.354 10 5 GGBERN CCS(=O)(=O)CCCCCNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551359758 567500568 /nfs/dbraw/zinc/50/05/68/567500568.db2.gz OZOGUZCGDDXAOL-UHFFFAOYSA-N 0 0 379.276 3.374 10 5 GGBERN O=c1cc(C(F)(F)F)nc(CNc2cc(Br)cc([N+](=O)[O-])c2)[nH]1 ZINC000551359457 567500914 /nfs/dbraw/zinc/50/09/14/567500914.db2.gz HWZXSBSTXNXKIU-UHFFFAOYSA-N 0 0 393.119 3.484 10 5 GGBERN CC(C)Oc1nc(N[C@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000570643816 567502334 /nfs/dbraw/zinc/50/23/34/567502334.db2.gz ARZYUWGIFSUEDK-CYBMUJFWSA-N 0 0 396.241 3.107 10 5 GGBERN Cc1nc([N+](=O)[O-])c(-c2noc(Cc3cscc3Br)n2)n1C ZINC000551415974 567504601 /nfs/dbraw/zinc/50/46/01/567504601.db2.gz VCFLIRLWTMGPAV-UHFFFAOYSA-N 0 0 384.215 3.102 10 5 GGBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000503770593 567505347 /nfs/dbraw/zinc/50/53/47/567505347.db2.gz ABPZAJAVTRMHCM-UHFFFAOYSA-N 0 0 394.758 3.187 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N(CC1CC1)C1CCC1 ZINC000551457101 567507260 /nfs/dbraw/zinc/50/72/60/567507260.db2.gz ATVCIQFHJJPLMY-UHFFFAOYSA-N 0 0 396.241 3.087 10 5 GGBERN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759674 567507771 /nfs/dbraw/zinc/50/77/71/567507771.db2.gz HZMCXZGWMMTYGF-NWDGAFQWSA-N 0 0 383.857 3.456 10 5 GGBERN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764869 567509403 /nfs/dbraw/zinc/50/94/03/567509403.db2.gz CVIYFTVWZFQFIM-NSHDSACASA-N 0 0 384.483 3.260 10 5 GGBERN C[C@H](CC(F)(F)F)CS(=O)(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594774299 567510562 /nfs/dbraw/zinc/51/05/62/567510562.db2.gz CLRMDEUYLHKMCG-LLVKDONJSA-N 0 0 380.388 3.478 10 5 GGBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000594771912 567510830 /nfs/dbraw/zinc/51/08/30/567510830.db2.gz HQYSSZSZQFJWFO-UHFFFAOYSA-N 0 0 381.841 3.212 10 5 GGBERN C[C@H](CC(F)(F)F)CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594767962 567510848 /nfs/dbraw/zinc/51/08/48/567510848.db2.gz YNMLSKFEIQTSPN-LLVKDONJSA-N 0 0 380.388 3.478 10 5 GGBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000437918514 567514397 /nfs/dbraw/zinc/51/43/97/567514397.db2.gz JMEKVTUYYBUJEW-PWSUYJOCSA-N 0 0 386.857 3.188 10 5 GGBERN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000437923936 567515051 /nfs/dbraw/zinc/51/50/51/567515051.db2.gz ANMZQZUERBJTBU-ZDUSSCGKSA-N 0 0 380.198 3.281 10 5 GGBERN O=C(c1cc(Br)cc2[nH]cnc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000503986936 567515838 /nfs/dbraw/zinc/51/58/38/567515838.db2.gz OWOUYJVYCYTFBV-UHFFFAOYSA-N 0 0 387.193 3.437 10 5 GGBERN C[C@]1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(F)F ZINC000594856528 567520683 /nfs/dbraw/zinc/52/06/83/567520683.db2.gz HEQYKXNVFULOST-NSHDSACASA-N 0 0 399.213 3.071 10 5 GGBERN C[C@@]1(CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(F)F ZINC000594858980 567522924 /nfs/dbraw/zinc/52/29/24/567522924.db2.gz WQYIRHNHKJPXFD-LLVKDONJSA-N 0 0 399.213 3.071 10 5 GGBERN C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551667491 567527171 /nfs/dbraw/zinc/52/71/71/567527171.db2.gz GRCMSDVWUTTXLV-JTQLQIEISA-N 0 0 398.257 3.381 10 5 GGBERN C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551667492 567527278 /nfs/dbraw/zinc/52/72/78/567527278.db2.gz GRCMSDVWUTTXLV-SNVBAGLBSA-N 0 0 398.257 3.381 10 5 GGBERN CN(C)C(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551666109 567527311 /nfs/dbraw/zinc/52/73/11/567527311.db2.gz NIEHYJVUTOPVHL-UHFFFAOYSA-N 0 0 392.209 3.311 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(-n2cccn2)ccn1 ZINC000551667141 567527693 /nfs/dbraw/zinc/52/76/93/567527693.db2.gz BDMWLXYPQKPIEW-UHFFFAOYSA-N 0 0 388.181 3.190 10 5 GGBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000551668881 567528510 /nfs/dbraw/zinc/52/85/10/567528510.db2.gz XNJVQJVKCOYJMU-QMMMGPOBSA-N 0 0 396.163 3.180 10 5 GGBERN O=C(Nc1cnc(CC2CC2)nc1)c1ccc([N+](=O)[O-])cc1Br ZINC000551680448 567528777 /nfs/dbraw/zinc/52/87/77/567528777.db2.gz JIWPWZIOHSAEIX-UHFFFAOYSA-N 0 0 377.198 3.352 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000479412095 567533128 /nfs/dbraw/zinc/53/31/28/567533128.db2.gz AVSFRBSGTQIRMM-NHYWBVRUSA-N 0 0 390.889 3.429 10 5 GGBERN CC1(C)CCC[C@](O)(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000438480919 567533521 /nfs/dbraw/zinc/53/35/21/567533521.db2.gz GQGHGTHQXHMHJY-MRXNPFEDSA-N 0 0 385.258 3.418 10 5 GGBERN CS(=O)(=O)c1ccc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000504402618 567534063 /nfs/dbraw/zinc/53/40/63/567534063.db2.gz BZQLDQGAXUITTB-UHFFFAOYSA-N 0 0 380.447 3.119 10 5 GGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccccc1Br ZINC000571195516 567545501 /nfs/dbraw/zinc/54/55/01/567545501.db2.gz CMEMOARCJURUEJ-UHFFFAOYSA-N 0 0 385.164 3.494 10 5 GGBERN COCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000479673251 567552589 /nfs/dbraw/zinc/55/25/89/567552589.db2.gz JFEQADNDSLWQKT-UHFFFAOYSA-N 0 0 385.170 3.228 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(c3nc4ccccc4s3)C2)s1 ZINC000438963420 567557433 /nfs/dbraw/zinc/55/74/33/567557433.db2.gz OHRBHVCIWQGYEW-UHFFFAOYSA-N 0 0 381.460 3.054 10 5 GGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(Cl)c1 ZINC000595380663 567560680 /nfs/dbraw/zinc/56/06/80/567560680.db2.gz RJJOMYZCMSUBAD-UHOFOFEASA-N 0 0 382.800 3.004 10 5 GGBERN Cc1cccc([N+](=O)[O-])c1OC[C@H](O)COc1ccc(Br)cc1 ZINC000571422767 567560920 /nfs/dbraw/zinc/56/09/20/567560920.db2.gz QFADHBKESJFTSK-CYBMUJFWSA-N 0 0 382.210 3.484 10 5 GGBERN Cc1sc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000595413384 567562585 /nfs/dbraw/zinc/56/25/85/567562585.db2.gz AAVQIUSGSYAAHL-HNNXBMFYSA-N 0 0 379.463 3.276 10 5 GGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cnc2c(Br)cccn12 ZINC000552297631 567574275 /nfs/dbraw/zinc/57/42/75/567574275.db2.gz COUCQWJFCVGRAM-UHFFFAOYSA-N 0 0 375.182 3.186 10 5 GGBERN COc1ccc(CSCC(=O)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000552333080 567579052 /nfs/dbraw/zinc/57/90/52/567579052.db2.gz SDVPDXGMHCOUBV-UHFFFAOYSA-N 0 0 378.372 3.295 10 5 GGBERN O=C(N[C@@H](CO)c1ccsc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505597172 567586667 /nfs/dbraw/zinc/58/66/67/567586667.db2.gz QPCTTXANTYKYMF-ZDUSSCGKSA-N 0 0 375.431 3.243 10 5 GGBERN CCCC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000552399087 567586864 /nfs/dbraw/zinc/58/68/64/567586864.db2.gz BKQJBNHEDVPGPI-LLVKDONJSA-N 0 0 398.257 3.335 10 5 GGBERN CCc1n[nH]c(C(=O)N2CCc3cc(Br)cc(C)c3C2)c1[N+](=O)[O-] ZINC000571782077 567587971 /nfs/dbraw/zinc/58/79/71/567587971.db2.gz ITQKLJYWCWFSHP-UHFFFAOYSA-N 0 0 393.241 3.150 10 5 GGBERN CSCCCN(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439483291 567589303 /nfs/dbraw/zinc/58/93/03/567589303.db2.gz HSTWQUVGEKYCKL-UHFFFAOYSA-N 0 0 380.495 3.342 10 5 GGBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000552449168 567591574 /nfs/dbraw/zinc/59/15/74/567591574.db2.gz UJAUDSRKDHXIIW-UHFFFAOYSA-N 0 0 380.202 3.304 10 5 GGBERN CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000552575506 567597704 /nfs/dbraw/zinc/59/77/04/567597704.db2.gz CHDPGHLPGQXEAV-RTHLEPHNSA-N 0 0 386.246 3.155 10 5 GGBERN Cc1c(NC(=O)N2CCCc3n[nH]cc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000596004008 567597741 /nfs/dbraw/zinc/59/77/41/567597741.db2.gz XLTUZEFQVOMVAQ-UHFFFAOYSA-N 0 0 394.229 3.369 10 5 GGBERN CC1(C)Cc2n[nH]cc2CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000596005329 567597868 /nfs/dbraw/zinc/59/78/68/567597868.db2.gz ZJIJQFHSSRIQCU-UHFFFAOYSA-N 0 0 393.241 3.305 10 5 GGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ncsc1Br ZINC000596038038 567601806 /nfs/dbraw/zinc/60/18/06/567601806.db2.gz HUEKNTNWMCMORK-QMMMGPOBSA-N 0 0 391.268 3.490 10 5 GGBERN C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ncc(Br)cn1 ZINC000552732465 567605604 /nfs/dbraw/zinc/60/56/04/567605604.db2.gz YXWKSCZEQLQWFD-MRVPVSSYSA-N 0 0 390.197 3.120 10 5 GGBERN C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552743477 567606700 /nfs/dbraw/zinc/60/67/00/567606700.db2.gz OIPLVGWWXLAFEL-SNVBAGLBSA-N 0 0 395.209 3.256 10 5 GGBERN C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)N(C)CC(F)(F)F ZINC000552744010 567606744 /nfs/dbraw/zinc/60/67/44/567606744.db2.gz XBEMOTNNJZQTEY-SSDOTTSWSA-N 0 0 384.152 3.178 10 5 GGBERN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccc([N+](=O)[O-])cn1 ZINC000530501471 567606903 /nfs/dbraw/zinc/60/69/03/567606903.db2.gz IHRQKZGNRGJXBI-NSHDSACASA-N 0 0 381.219 3.305 10 5 GGBERN COC(=O)c1c(Cl)c(NCCCN(C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000596078010 567607255 /nfs/dbraw/zinc/60/72/55/567607255.db2.gz YCGWRULYIHWFFV-UHFFFAOYSA-N 0 0 383.754 3.331 10 5 GGBERN COc1ccccc1NCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552741885 567607396 /nfs/dbraw/zinc/60/73/96/567607396.db2.gz MCWJLXSXVMFCEW-UHFFFAOYSA-N 0 0 380.198 3.417 10 5 GGBERN COc1cc(N2CCCN(Cc3cscn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596106542 567608795 /nfs/dbraw/zinc/60/87/95/567608795.db2.gz CEXWGHZDGLYZEX-UHFFFAOYSA-N 0 0 382.873 3.426 10 5 GGBERN CSc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1 ZINC000439955795 567608841 /nfs/dbraw/zinc/60/88/41/567608841.db2.gz FBUDJPYTXZZKRH-UHFFFAOYSA-N 0 0 378.475 3.331 10 5 GGBERN Cn1cc(N2CCC[C@@H](Nc3c(Br)cccc3[N+](=O)[O-])C2)cn1 ZINC000596143229 567611985 /nfs/dbraw/zinc/61/19/85/567611985.db2.gz ZXRKXEXEDTWIEA-LLVKDONJSA-N 0 0 380.246 3.172 10 5 GGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC[S@@]1=O ZINC000596195119 567614556 /nfs/dbraw/zinc/61/45/56/567614556.db2.gz NIYSIRIEWLCENI-VWLOTQADSA-N 0 0 388.873 3.162 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCCC1(F)F ZINC000596253746 567618427 /nfs/dbraw/zinc/61/84/27/567618427.db2.gz DHZJEDYQXYQGQI-NSHDSACASA-N 0 0 377.413 3.130 10 5 GGBERN COc1cc(NC2CCC(CS(C)(=O)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596256285 567618503 /nfs/dbraw/zinc/61/85/03/567618503.db2.gz CPCKAOBTKRHAMU-UHFFFAOYSA-N 0 0 376.862 3.272 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCC1CC(F)(F)C1 ZINC000596260531 567620321 /nfs/dbraw/zinc/62/03/21/567620321.db2.gz GQWHNVCJCNZBPX-UHFFFAOYSA-N 0 0 377.413 3.130 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)CC(F)(F)F ZINC000596270362 567620466 /nfs/dbraw/zinc/62/04/66/567620466.db2.gz FMGKPHLVUQARLA-SNVBAGLBSA-N 0 0 383.392 3.284 10 5 GGBERN O=c1[nH]c(NCc2ccccc2Br)nc2ccc([N+](=O)[O-])cc12 ZINC000553008165 567620476 /nfs/dbraw/zinc/62/04/76/567620476.db2.gz AAZTUMVEPBAHIC-UHFFFAOYSA-N 0 0 375.182 3.040 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H](O)C(F)(F)C1 ZINC000596427899 567633001 /nfs/dbraw/zinc/63/30/01/567633001.db2.gz CIDLWTSGMBFZLV-GFCCVEGCSA-N 0 0 388.168 3.112 10 5 GGBERN Cc1cc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000596465707 567634059 /nfs/dbraw/zinc/63/40/59/567634059.db2.gz MWATWWSULISAKG-ZJUUUORDSA-N 0 0 377.260 3.043 10 5 GGBERN C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H](C)C1O ZINC000596462189 567634838 /nfs/dbraw/zinc/63/48/38/567634838.db2.gz IVHAXRRPGUMMCR-UWVGGRQHSA-N 0 0 380.242 3.359 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[C@]1(C)CC1(F)F ZINC000596480100 567635408 /nfs/dbraw/zinc/63/54/08/567635408.db2.gz VOQILKRGLIOIJE-CQSZACIVSA-N 0 0 377.413 3.130 10 5 GGBERN COc1cc(NCC2(S(C)(=O)=O)CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596474968 567635424 /nfs/dbraw/zinc/63/54/24/567635424.db2.gz UVUORHCYXDIGEF-UHFFFAOYSA-N 0 0 376.862 3.416 10 5 GGBERN O=[N+]([O-])c1cncc(I)c1N1CCC[C@@H](CCF)C1 ZINC000596481256 567636236 /nfs/dbraw/zinc/63/62/36/567636236.db2.gz VMNBMHWOMJOYET-VIFPVBQESA-N 0 0 379.173 3.170 10 5 GGBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[C@@]1(C)CC1(F)F ZINC000596480091 567636338 /nfs/dbraw/zinc/63/63/38/567636338.db2.gz VOQILKRGLIOIJE-AWEZNQCLSA-N 0 0 377.413 3.130 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H]2COC[C@@H]2C1 ZINC000596530031 567638594 /nfs/dbraw/zinc/63/85/94/567638594.db2.gz SZNNJWCKUDIHPO-QWRGUYRKSA-N 0 0 378.226 3.378 10 5 GGBERN COC(=O)c1c(Cl)c(NCC2(O)CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000596527285 567638741 /nfs/dbraw/zinc/63/87/41/567638741.db2.gz BMEVNXFOQVSVOM-UHFFFAOYSA-N 0 0 378.759 3.387 10 5 GGBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H](CC(F)(F)F)O1 ZINC000596553090 567638906 /nfs/dbraw/zinc/63/89/06/567638906.db2.gz FAKZMPAOQPCRAH-APPZFPTMSA-N 0 0 384.152 3.298 10 5 GGBERN C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000596553736 567639969 /nfs/dbraw/zinc/63/99/69/567639969.db2.gz HBUHGQGICPDTEF-JGVFFNPUSA-N 0 0 384.152 3.298 10 5 GGBERN C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000596555897 567640096 /nfs/dbraw/zinc/64/00/96/567640096.db2.gz UMTFJNBGKCDJJY-APPZFPTMSA-N 0 0 384.152 3.298 10 5 GGBERN Cc1c(Br)c(N2C[C@@H](C)O[C@](C)(C(F)F)C2)ncc1[N+](=O)[O-] ZINC000596572981 567641096 /nfs/dbraw/zinc/64/10/96/567641096.db2.gz JCAXLTOGWXMGAO-UHLUBPPHSA-N 0 0 380.189 3.310 10 5 GGBERN COC(=O)c1c(Cl)c(N2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596573000 567641635 /nfs/dbraw/zinc/64/16/35/567641635.db2.gz RMRFOYPSVKFTHJ-VXJOIVPMSA-N 0 0 378.759 3.284 10 5 GGBERN COC(=O)c1cnc([C@@H]2CCCN(c3c(Cl)cncc3[N+](=O)[O-])C2)s1 ZINC000596568957 567641749 /nfs/dbraw/zinc/64/17/49/567641749.db2.gz ZLXNUHJIPLQZCA-SECBINFHSA-N 0 0 382.829 3.270 10 5 GGBERN CC(C)(c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)n1cccn1 ZINC000596586177 567642336 /nfs/dbraw/zinc/64/23/36/567642336.db2.gz FQIPGNSWBMUNNA-UHFFFAOYSA-N 0 0 392.213 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COC(=O)c1cc(C)nc(NCc2cc(Br)ccc2C)c1[N+](=O)[O-] ZINC000553536411 567664770 /nfs/dbraw/zinc/66/47/70/567664770.db2.gz CLYFAFMBHRXONJ-UHFFFAOYSA-N 0 0 394.225 3.190 10 5 GGBERN Cc1cc(NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000553580422 567669525 /nfs/dbraw/zinc/66/95/25/567669525.db2.gz PPKPZVFSIOIZKI-CYBMUJFWSA-N 0 0 381.479 3.087 10 5 GGBERN CN(CCc1ccccc1[N+](=O)[O-])c1cc(Br)cc(F)c1C(N)=O ZINC000553580381 567669810 /nfs/dbraw/zinc/66/98/10/567669810.db2.gz NKBRTTDGCJZTFD-UHFFFAOYSA-N 0 0 396.216 3.274 10 5 GGBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCOc2cc(Br)c(Cl)cc21 ZINC000531631945 567670166 /nfs/dbraw/zinc/67/01/66/567670166.db2.gz RACMUYUCYFVPMR-UHFFFAOYSA-N 0 0 398.600 3.445 10 5 GGBERN C[C@@](O)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000481344297 567672411 /nfs/dbraw/zinc/67/24/11/567672411.db2.gz WNBQWLJTRVABPV-MRXNPFEDSA-N 0 0 385.258 3.418 10 5 GGBERN Cc1cc(Br)cc(C)c1S(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000507294913 567674388 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O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H](c1nccs1)C(F)(F)F ZINC000507604936 567688828 /nfs/dbraw/zinc/68/88/28/567688828.db2.gz WFBRPUKMWJPOFG-LLVKDONJSA-N 0 0 381.282 3.292 10 5 GGBERN Cc1sc(S(=O)(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000481590811 567690475 /nfs/dbraw/zinc/69/04/75/567690475.db2.gz HFQPOLRLRHAYIY-INIZCTEOSA-N 0 0 384.454 3.456 10 5 GGBERN O=[N+]([O-])c1cnc2c(c1)CN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000460491264 567691136 /nfs/dbraw/zinc/69/11/36/567691136.db2.gz SIBPLYXLBCUPQT-UHFFFAOYSA-N 0 0 388.232 3.044 10 5 GGBERN CCCc1n[nH]c(C(=O)NCCc2ccccc2Br)c1[N+](=O)[O-] ZINC000554073505 567708271 /nfs/dbraw/zinc/70/82/71/567708271.db2.gz GKZBNHGNZCCFMU-UHFFFAOYSA-N 0 0 381.230 3.005 10 5 GGBERN CC(=O)N[C@@H](CCC(C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000597632156 567709098 /nfs/dbraw/zinc/70/90/98/567709098.db2.gz QIBCAAOJMQBNCP-AWEZNQCLSA-N 0 0 386.246 3.237 10 5 GGBERN Cc1c(Cl)cc(S(=O)(=O)N2CC(C)(C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000442790628 567709830 /nfs/dbraw/zinc/70/98/30/567709830.db2.gz JJYYBRUBBWMAQB-UHFFFAOYSA-N 0 0 376.862 3.135 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000597749366 567715401 /nfs/dbraw/zinc/71/54/01/567715401.db2.gz XHJLIKDZWOIXPG-MRXNPFEDSA-N 0 0 384.219 3.243 10 5 GGBERN Cc1csc(Sc2ccc(C(=O)N3CCC34COC4)cc2[N+](=O)[O-])n1 ZINC000597731766 567715523 /nfs/dbraw/zinc/71/55/23/567715523.db2.gz XTSJPDJKFSZAJQ-UHFFFAOYSA-N 0 0 377.447 3.126 10 5 GGBERN CC(C)(C)N1CC[C@@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000597859191 567719434 /nfs/dbraw/zinc/71/94/34/567719434.db2.gz ATVOECXLLBQCRJ-MRVPVSSYSA-N 0 0 376.276 3.021 10 5 GGBERN Nc1ncc(Br)cc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000573559105 567722098 /nfs/dbraw/zinc/72/20/98/567722098.db2.gz AMKLZDWGNKPQIG-UHFFFAOYSA-N 0 0 378.230 3.051 10 5 GGBERN Cc1ccncc1CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000597977028 567729966 /nfs/dbraw/zinc/72/99/66/567729966.db2.gz CMWOTKHPMBKVLP-UHFFFAOYSA-N 0 0 378.226 3.342 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccccc1SC ZINC000443086426 567730022 /nfs/dbraw/zinc/73/00/22/567730022.db2.gz NYKLHCZXYVZMHY-NSHDSACASA-N 0 0 382.463 3.365 10 5 GGBERN C[C@@H](C(=O)N[C@@H](C)c1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000554515240 567732183 /nfs/dbraw/zinc/73/21/83/567732183.db2.gz PODUHBHRLQXJSJ-ZJUUUORDSA-N 0 0 379.214 3.128 10 5 GGBERN C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000554515239 567732419 /nfs/dbraw/zinc/73/24/19/567732419.db2.gz PODUHBHRLQXJSJ-VHSXEESVSA-N 0 0 379.214 3.128 10 5 GGBERN CCOC(=O)C[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000598046150 567735139 /nfs/dbraw/zinc/73/51/39/567735139.db2.gz GBTBMCQFRNGKRQ-JTQLQIEISA-N 0 0 382.722 3.171 10 5 GGBERN CCO[C@H]1C[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000598060646 567736169 /nfs/dbraw/zinc/73/61/69/567736169.db2.gz UYLDOHIVWIQKEN-XYPYZODXSA-N 0 0 378.372 3.389 10 5 GGBERN C[C@@H]1COC2(CCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598053968 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/nfs/dbraw/zinc/75/13/59/567751359.db2.gz SECYYFONNGYVOE-UHFFFAOYSA-N 0 0 382.218 3.163 10 5 GGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Br)cc3F)no2)n1 ZINC000554822064 567751593 /nfs/dbraw/zinc/75/15/93/567751593.db2.gz OTCNUNGYISCXRB-UHFFFAOYSA-N 0 0 382.149 3.430 10 5 GGBERN COC(=O)C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000598271579 567751901 /nfs/dbraw/zinc/75/19/01/567751901.db2.gz TYEPBZRRXLRXET-LLVKDONJSA-N 0 0 386.857 3.046 10 5 GGBERN COC(=O)C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000598271910 567752544 /nfs/dbraw/zinc/75/25/44/567752544.db2.gz TYEPBZRRXLRXET-NSHDSACASA-N 0 0 386.857 3.046 10 5 GGBERN CC1(C)SC[C@@H]1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000554893262 567754237 /nfs/dbraw/zinc/75/42/37/567754237.db2.gz NUBJAQCRQKJQGW-HNNXBMFYSA-N 0 0 385.511 3.075 10 5 GGBERN Cn1cc([N+](=O)[O-])c(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)n1 ZINC000598299631 567754899 /nfs/dbraw/zinc/75/48/99/567754899.db2.gz QEZORIDSJHUQNJ-UHFFFAOYSA-N 0 0 376.257 3.112 10 5 GGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000574108803 567755975 /nfs/dbraw/zinc/75/59/75/567755975.db2.gz XFKCRJGRFPHCAJ-HNNXBMFYSA-N 0 0 397.200 3.268 10 5 GGBERN Cn1ncc(C2CCC2)c1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598316915 567756298 /nfs/dbraw/zinc/75/62/98/567756298.db2.gz VZIGAUIYVBAFPG-UHFFFAOYSA-N 0 0 393.241 3.288 10 5 GGBERN CC1(C)[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1(F)F ZINC000598341181 567758555 /nfs/dbraw/zinc/75/85/55/567758555.db2.gz OUXRBQOKUFQDFO-NSHDSACASA-N 0 0 377.185 3.307 10 5 GGBERN CCc1ccc(S(=O)(=O)N(CCc2nccs2)C(C)C)cc1[N+](=O)[O-] ZINC000574154379 567760260 /nfs/dbraw/zinc/76/02/60/567760260.db2.gz SCNRRIVWGJLXSR-UHFFFAOYSA-N 0 0 383.495 3.256 10 5 GGBERN O=C(NCCc1ccccc1Br)NCc1cccc([N+](=O)[O-])c1 ZINC000555000547 567763142 /nfs/dbraw/zinc/76/31/42/567763142.db2.gz AINVOWWXOCOSFT-UHFFFAOYSA-N 0 0 378.226 3.399 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2ccon2)CC1 ZINC000598399097 567763332 /nfs/dbraw/zinc/76/33/32/567763332.db2.gz LYBQRNGOKPYNPB-UHFFFAOYSA-N 0 0 380.198 3.365 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]2c2ccc(Br)cc2)n1 ZINC000598422572 567764681 /nfs/dbraw/zinc/76/46/81/567764681.db2.gz FOEFNMNSLFZFSH-GFCCVEGCSA-N 0 0 379.214 3.161 10 5 GGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2Cc3ccc(C)c(Br)c3C2)n1 ZINC000598467999 567769563 /nfs/dbraw/zinc/76/95/63/567769563.db2.gz CPAXCZMEERWWNA-UHFFFAOYSA-N 0 0 379.214 3.038 10 5 GGBERN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000598453160 567769861 /nfs/dbraw/zinc/76/98/61/567769861.db2.gz POAVVFVCFGGWSS-HNNXBMFYSA-N 0 0 393.241 3.138 10 5 GGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2nc3cc(Cl)ccc3s2)c1 ZINC000443699794 567771538 /nfs/dbraw/zinc/77/15/38/567771538.db2.gz QNSAICSZUKGMNJ-UHFFFAOYSA-N 0 0 397.865 3.478 10 5 GGBERN CSc1cccc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000598506345 567772340 /nfs/dbraw/zinc/77/23/40/567772340.db2.gz FDJIAXLGBOQSEJ-UWVGGRQHSA-N 0 0 378.372 3.499 10 5 GGBERN C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000598510824 567772512 /nfs/dbraw/zinc/77/25/12/567772512.db2.gz XQCQVWUGBSKPGX-JQWIXIFHSA-N 0 0 378.372 3.255 10 5 GGBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598541240 567774724 /nfs/dbraw/zinc/77/47/24/567774724.db2.gz HKTVGJLLSRWHEC-CALCHBBNSA-N 0 0 395.253 3.390 10 5 GGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598545903 567776059 /nfs/dbraw/zinc/77/60/59/567776059.db2.gz RTXYRQCWYLVDIW-CALCHBBNSA-N 0 0 395.253 3.390 10 5 GGBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@](C)(C(F)F)O1 ZINC000598562199 567776606 /nfs/dbraw/zinc/77/66/06/567776606.db2.gz CAAPLAOSCAWMQL-RMLUDKJBSA-N 0 0 393.184 3.242 10 5 GGBERN CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)[C@H]1n1cccn1 ZINC000555264471 567777175 /nfs/dbraw/zinc/77/71/75/567777175.db2.gz KHNHXFVCRQJDAP-MPKXVKKWSA-N 0 0 396.245 3.088 10 5 GGBERN C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000598566699 567777386 /nfs/dbraw/zinc/77/73/86/567777386.db2.gz YXPDZULMMOBLAN-RMLUDKJBSA-N 0 0 393.184 3.242 10 5 GGBERN Cc1csc(C2(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3C)CCC2)n1 ZINC000598606304 567778582 /nfs/dbraw/zinc/77/85/82/567778582.db2.gz ZLXCUEQHORKNOF-UHFFFAOYSA-N 0 0 381.479 3.334 10 5 GGBERN Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)c(C)c1[N+](=O)[O-] ZINC000598609170 567779268 /nfs/dbraw/zinc/77/92/68/567779268.db2.gz RJHXQDPJQBOWBP-CYBMUJFWSA-N 0 0 382.463 3.035 10 5 GGBERN Cc1ccc(S(=O)(=O)N(CCc2nccs2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000598609241 567779286 /nfs/dbraw/zinc/77/92/86/567779286.db2.gz ZSBNNAYYELAKBA-UHFFFAOYSA-N 0 0 383.495 3.310 10 5 GGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H](C(F)F)C2CCCCC2)cc1 ZINC000598628027 567779863 /nfs/dbraw/zinc/77/98/63/567779863.db2.gz KMMBBZBAFADBPF-HNNXBMFYSA-N 0 0 376.425 3.271 10 5 GGBERN CCn1cc(Br)c(=O)c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000574472003 567780070 /nfs/dbraw/zinc/78/00/70/567780070.db2.gz ZWMAHOYRAVYOQJ-JTQLQIEISA-N 0 0 394.225 3.281 10 5 GGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)cc1 ZINC000443937248 567781285 /nfs/dbraw/zinc/78/12/85/567781285.db2.gz NBAISXPTSUSBNI-MRVPVSSYSA-N 0 0 391.268 3.458 10 5 GGBERN Cc1c(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000574505739 567781792 /nfs/dbraw/zinc/78/17/92/567781792.db2.gz CWTZBFAMIHOMCK-NSHDSACASA-N 0 0 398.257 3.109 10 5 GGBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000555412701 567781915 /nfs/dbraw/zinc/78/19/15/567781915.db2.gz ISZGMAQWYOCWMI-LLVKDONJSA-N 0 0 395.384 3.250 10 5 GGBERN Cc1c(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000574505738 567782254 /nfs/dbraw/zinc/78/22/54/567782254.db2.gz CWTZBFAMIHOMCK-LLVKDONJSA-N 0 0 398.257 3.109 10 5 GGBERN O=[N+]([O-])c1ccccc1OCCS(=O)(=O)c1cccc(Br)c1 ZINC000555546168 567788246 /nfs/dbraw/zinc/78/82/46/567788246.db2.gz VIJVZBRGJVVFHB-UHFFFAOYSA-N 0 0 386.223 3.210 10 5 GGBERN Cc1c(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000574628535 567789383 /nfs/dbraw/zinc/78/93/83/567789383.db2.gz SIKZQQPBCYZWKQ-MNOVXSKESA-N 0 0 386.246 3.290 10 5 GGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)Oc2cc(Br)ccc21 ZINC000598890779 567797965 /nfs/dbraw/zinc/79/79/65/567797965.db2.gz BXNULISLCMQFQT-VIFPVBQESA-N 0 0 392.209 3.488 10 5 GGBERN O=[N+]([O-])c1ccccc1OCCN1CCc2nccc(Br)c2C1 ZINC000598946826 567799856 /nfs/dbraw/zinc/79/98/56/567799856.db2.gz VXOTYVPYNBWIKF-UHFFFAOYSA-N 0 0 378.226 3.189 10 5 GGBERN O=[N+]([O-])c1cccc(OCCN2CCc3nccc(Br)c3C2)c1 ZINC000598946414 567799993 /nfs/dbraw/zinc/79/99/93/567799993.db2.gz RAZXXFWQLGLMFR-UHFFFAOYSA-N 0 0 378.226 3.189 10 5 GGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCc2cccnc21 ZINC000598951258 567800136 /nfs/dbraw/zinc/80/01/36/567800136.db2.gz QKEAQEPXGCXDNI-CYBMUJFWSA-N 0 0 390.237 3.141 10 5 GGBERN COc1ccc(CN2CCc3nccc(Br)c3C2)cc1[N+](=O)[O-] ZINC000598944930 567800263 /nfs/dbraw/zinc/80/02/63/567800263.db2.gz DISNEPFGULJYSA-UHFFFAOYSA-N 0 0 378.226 3.319 10 5 GGBERN O=C(NC[C@H]1CCc2cccnc21)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598951905 567800841 /nfs/dbraw/zinc/80/08/41/567800841.db2.gz ZGTNFHUYMUYALC-LLVKDONJSA-N 0 0 376.210 3.212 10 5 GGBERN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC000534203268 567802904 /nfs/dbraw/zinc/80/29/04/567802904.db2.gz NLNJWAWLFHMUKX-NSHDSACASA-N 0 0 391.221 3.287 10 5 GGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCc3sc(Cl)cc3C2)s1 ZINC000574913552 567804314 /nfs/dbraw/zinc/80/43/14/567804314.db2.gz BNYSWMDOUQDESC-UHFFFAOYSA-N 0 0 378.884 3.337 10 5 GGBERN CC1(C)C[C@H](Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CO1 ZINC000599125794 567806373 /nfs/dbraw/zinc/80/63/73/567806373.db2.gz RHWBCIXZKKBHMB-ZDUSSCGKSA-N 0 0 386.495 3.039 10 5 GGBERN O=C(NCCc1ccccc1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000534290454 567806787 /nfs/dbraw/zinc/80/67/87/567806787.db2.gz HBCIVZIRORROOE-UHFFFAOYSA-N 0 0 396.184 3.172 10 5 GGBERN O=[N+]([O-])c1ccc(Cc2noc(COCC(F)F)n2)c(Br)c1 ZINC000599138932 567806913 /nfs/dbraw/zinc/80/69/13/567806913.db2.gz KVJDXYOFPMBYPY-UHFFFAOYSA-N 0 0 378.129 3.113 10 5 GGBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCCN2CC(F)F)ccc1[N+](=O)[O-] ZINC000599133611 567807190 /nfs/dbraw/zinc/80/71/90/567807190.db2.gz JGHCEZYTXYZMDB-VIFPVBQESA-N 0 0 377.775 3.176 10 5 GGBERN NS(=O)(=O)c1ccc(N[C@H]2CCCc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000599174031 567808737 /nfs/dbraw/zinc/80/87/37/567808737.db2.gz IPCBWNHSKFRVCD-AWEZNQCLSA-N 0 0 381.841 3.385 10 5 GGBERN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCO[C@@H](CCF)C1 ZINC000599167668 567808754 /nfs/dbraw/zinc/80/87/54/567808754.db2.gz NPVIQNLUXRAWDG-NSHDSACASA-N 0 0 384.205 3.470 10 5 GGBERN NS(=O)(=O)c1cccc(N[C@H]2CCCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000599174726 567809441 /nfs/dbraw/zinc/80/94/41/567809441.db2.gz ZYUQYKRCDXOXQT-ZDUSSCGKSA-N 0 0 381.841 3.385 10 5 GGBERN Cc1noc([C@@H]2OCC[C@@H]2Nc2cc(C)c([N+](=O)[O-])cc2Br)n1 ZINC000599195990 567810289 /nfs/dbraw/zinc/81/02/89/567810289.db2.gz PBZXDEPCHMDZGK-GXFFZTMASA-N 0 0 383.202 3.299 10 5 GGBERN Cc1ccc(OC[C@@H](O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000534419110 567810665 /nfs/dbraw/zinc/81/06/65/567810665.db2.gz IDDMOUUYCJZMGU-CYBMUJFWSA-N 0 0 382.210 3.484 10 5 GGBERN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599224483 567811038 /nfs/dbraw/zinc/81/10/38/567811038.db2.gz IJPWQPHFTCTTGL-QMMMGPOBSA-N 0 0 393.252 3.017 10 5 GGBERN CC(C)c1noc(CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC000599221496 567811197 /nfs/dbraw/zinc/81/11/97/567811197.db2.gz OBHKRSHZCLHWSJ-UHFFFAOYSA-N 0 0 397.229 3.226 10 5 GGBERN O=[N+]([O-])c1cccc(N2CCN(Cc3ccncc3Br)CC2)c1 ZINC000599266118 567812041 /nfs/dbraw/zinc/81/20/41/567812041.db2.gz YWSWVEDUXVLYEN-UHFFFAOYSA-N 0 0 377.242 3.075 10 5 GGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000048278819 570230938 /nfs/dbraw/zinc/23/09/38/570230938.db2.gz LGOVJEFEDYVEPV-QGZVFWFLSA-N 0 0 386.383 3.219 10 5 GGBERN CCc1ccccc1NC(=O)CN1CCN(c2sc([N+](=O)[O-])cc2C)CC1 ZINC000048300248 570234221 /nfs/dbraw/zinc/23/42/21/570234221.db2.gz DQXSUGROEOGTMM-UHFFFAOYSA-N 0 0 388.493 3.288 10 5 GGBERN Cc1ccc(-c2nc(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000012864135 570268639 /nfs/dbraw/zinc/26/86/39/570268639.db2.gz RBQOJMNEHOYRAY-KRWDZBQOSA-N 0 0 383.429 3.490 10 5 GGBERN O=C(OCc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004839419 570312124 /nfs/dbraw/zinc/31/21/24/570312124.db2.gz BLHPXHUZZIQJCI-UHFFFAOYSA-N 0 0 376.796 3.442 10 5 GGBERN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000024864226 570318596 /nfs/dbraw/zinc/31/85/96/570318596.db2.gz XPDWWDJIAZCJJS-NSHDSACASA-N 0 0 390.465 3.487 10 5 GGBERN COc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000023386471 570322141 /nfs/dbraw/zinc/32/21/41/570322141.db2.gz GOXLGJBPWNJGTQ-UWVGGRQHSA-N 0 0 376.331 3.463 10 5 GGBERN COc1ccc(NC(=O)CCCn2nc([N+](=O)[O-])c(Cl)c2C)c(OC)c1 ZINC000004873741 570352658 /nfs/dbraw/zinc/35/26/58/570352658.db2.gz 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Cc1cc(C)cc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)c1 ZINC000005054841 570406996 /nfs/dbraw/zinc/40/69/96/570406996.db2.gz NZJXQDJXZALHPQ-UHFFFAOYSA-N 0 0 393.399 3.254 10 5 GGBERN CC[C@@H](C)N(CC(=O)Nc1ncc(C)s1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000035746186 570439806 /nfs/dbraw/zinc/43/98/06/570439806.db2.gz RSVQTJHJNIALKB-LLVKDONJSA-N 0 0 376.438 3.239 10 5 GGBERN O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006471314 570443447 /nfs/dbraw/zinc/44/34/47/570443447.db2.gz JEVVEOCCHOHMID-UHFFFAOYSA-N 0 0 382.294 3.338 10 5 GGBERN CCOC(=O)C(=CNc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005194267 570499581 /nfs/dbraw/zinc/49/95/81/570499581.db2.gz HGRCKBPPPZLOBY-WJDWOHSUSA-N 0 0 389.795 3.495 10 5 GGBERN O=[N+]([O-])c1ccc(Oc2nc3nonc3nc2Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002063464 570503269 /nfs/dbraw/zinc/50/32/69/570503269.db2.gz LTLPQYMJADYUNK-UHFFFAOYSA-N 0 0 396.275 3.414 10 5 GGBERN CC[C@@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1F ZINC000072304152 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CC(C)OC(=O)C[C@@H](NC(=O)c1ccc2c[nH]nc2c1)c1ccccc1[N+](=O)[O-] ZINC000032901018 570897614 /nfs/dbraw/zinc/89/76/14/570897614.db2.gz FNFCSWLSBHGKCH-QGZVFWFLSA-N 0 0 396.403 3.284 10 5 GGBERN O=C(NCc1cn2cc(Cl)ccc2n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000032902289 570897982 /nfs/dbraw/zinc/89/79/82/570897982.db2.gz XNZOQXWBCDGFFG-UHFFFAOYSA-N 0 0 385.811 3.400 10 5 GGBERN O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000098009198 570915552 /nfs/dbraw/zinc/91/55/52/570915552.db2.gz AGDOTVYTXOCMAF-IUCKJTJTSA-N 0 0 385.807 3.183 10 5 GGBERN COc1cc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)c(OC)cc1Cl ZINC000002460237 570916981 /nfs/dbraw/zinc/91/69/81/570916981.db2.gz UGNTWTCVJIGFKU-UHFFFAOYSA-N 0 0 382.804 3.189 10 5 GGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(NS(C)(=O)=O)cc1 ZINC000032926608 570938401 /nfs/dbraw/zinc/93/84/01/570938401.db2.gz MNBVGYTUEIVCEA-JTQLQIEISA-N 0 0 397.840 3.111 10 5 GGBERN Cc1cc(Oc2cnccn2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032932319 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1398549115 /nfs/dbraw/zinc/54/91/15/1398549115.db2.gz SATDLQFVZRJRQB-ALCCZGGFSA-N 0 0 395.165 3.145 10 5 GGBERN O=C1OC(c2ccc(N3CCCC3=O)cc2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000007925785 1398774532 /nfs/dbraw/zinc/77/45/32/1398774532.db2.gz GWZVQAKCPRLTKY-ATVHPVEESA-N 0 0 377.356 3.066 10 5 GGBERN COc1ccccc1CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000008149693 1398808571 /nfs/dbraw/zinc/80/85/71/1398808571.db2.gz MQTOIOWOWFKOFO-UHFFFAOYSA-N 0 0 391.449 3.000 10 5 GGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1nnc(N2CCCC[C@@H]2C)s1 ZINC000020464577 1399347054 /nfs/dbraw/zinc/34/70/54/1399347054.db2.gz HSTZCYLZSZSOSG-JTQLQIEISA-N 0 0 392.441 3.478 10 5 GGBERN Cc1c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)cccc1[N+](=O)[O-] ZINC000020509746 1399347716 /nfs/dbraw/zinc/34/77/16/1399347716.db2.gz DLSQWMNCBKGKSL-UHFFFAOYSA-N 0 0 378.388 3.202 10 5 GGBERN COc1ccc(OC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000020899672 1399356157 /nfs/dbraw/zinc/35/61/57/1399356157.db2.gz YWSLELVREJFMEO-UHFFFAOYSA-N 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