smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)n1nc(CN(C)C)c2c1CN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164649749 719306902 /nfs/dbraw/zinc/30/69/02/719306902.db2.gz XQBAOKMJFWXLJV-UHFFFAOYSA-N 0 0 379.852 2.440 20 5 GEBDRN CN(C[C@H](O)CO)C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164671326 719366866 /nfs/dbraw/zinc/36/68/66/719366866.db2.gz WQJUHVRZCSTGSS-VIFPVBQESA-N 0 0 388.758 2.040 20 5 GEBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164810058 721538457 /nfs/dbraw/zinc/53/84/57/721538457.db2.gz WRXLDAQRRMBWNW-JQHSSLGASA-N 0 0 387.415 2.392 20 5 GEBDRN COc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164801554 721547379 /nfs/dbraw/zinc/54/73/79/721547379.db2.gz FPYMCEUMBACESQ-KNBMTAEXSA-N 0 0 399.451 2.262 20 5 GEBDRN CC(C)N(C)Cc1nnc2n1CCCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001165011262 721701469 /nfs/dbraw/zinc/70/14/69/721701469.db2.gz PNQQTIBKWYFWQT-UHFFFAOYSA-N 0 0 379.852 2.485 20 5 GEBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@@H]21 ZINC001164942788 721935461 /nfs/dbraw/zinc/93/54/61/721935461.db2.gz MXRCTEKHVZJMKK-GJZGRUSLSA-N 0 0 393.831 2.338 20 5 GEBDRN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN(CCc2ccccn2)CC1 ZINC001165053278 722010495 /nfs/dbraw/zinc/01/04/95/722010495.db2.gz FEJKYDHSENJJKT-UHFFFAOYSA-N 0 0 383.239 2.451 20 5 GEBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)cnc1Cl ZINC001164964693 722067782 /nfs/dbraw/zinc/06/77/82/722067782.db2.gz AXCAPQUFSGLRMB-BETUJISGSA-N 0 0 388.802 2.488 20 5 GEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000151782832 531519079 /nfs/dbraw/zinc/51/90/79/531519079.db2.gz RWUIURBHVPXVHB-HUUCEWRRSA-N 0 0 399.241 2.306 20 5 GEBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCN(c2ncccn2)CC1 ZINC000007264964 531538246 /nfs/dbraw/zinc/53/82/46/531538246.db2.gz MNWVXKCMANVYJU-UHFFFAOYSA-N 0 0 392.213 2.110 20 5 GEBDRN COc1ccccc1COC[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000152289088 531541323 /nfs/dbraw/zinc/54/13/23/531541323.db2.gz ASWBYJBWHXLTQB-LLVKDONJSA-N 0 0 386.202 2.140 20 5 GEBDRN O=[N+]([O-])c1ncn(C[C@@H](O)COc2ccc(Cl)cc2Br)n1 ZINC000152442692 531549854 /nfs/dbraw/zinc/54/98/54/531549854.db2.gz SXFDLNSSDMWUOX-MRVPVSSYSA-N 0 0 377.582 2.042 20 5 GEBDRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000152152081 531534955 /nfs/dbraw/zinc/53/49/55/531534955.db2.gz XQURGOKPBXBWJJ-SECBINFHSA-N 0 0 393.259 2.253 20 5 GEBDRN CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000152173152 531535048 /nfs/dbraw/zinc/53/50/48/531535048.db2.gz STOGFKOGNLYZKS-GXTWGEPZSA-N 0 0 376.381 2.301 20 5 GEBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)c1 ZINC000152663423 531566021 /nfs/dbraw/zinc/56/60/21/531566021.db2.gz KMLDLTBEAQCYMY-CYBMUJFWSA-N 0 0 391.243 2.158 20 5 GEBDRN O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000152831492 531573799 /nfs/dbraw/zinc/57/37/99/531573799.db2.gz IPCOCBWOOSIMNQ-UHFFFAOYSA-N 0 0 398.750 2.442 20 5 GEBDRN Cc1nc(-c2ccc(S(=O)(=O)NCCn3cc([N+](=O)[O-])cn3)s2)cs1 ZINC000152843205 531575376 /nfs/dbraw/zinc/57/53/76/531575376.db2.gz QURLNGGJEUZBQU-UHFFFAOYSA-N 0 0 399.479 2.263 20 5 GEBDRN CCCc1nnc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000018840186 531577635 /nfs/dbraw/zinc/57/76/35/531577635.db2.gz IXEIUYSMIFUFCQ-UHFFFAOYSA-N 0 0 381.439 2.229 20 5 GEBDRN CC(C)(C)c1cc(NC(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)on1 ZINC000153453453 531600696 /nfs/dbraw/zinc/60/06/96/531600696.db2.gz WRWYCESQQUFUMO-UHFFFAOYSA-N 0 0 399.201 2.443 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(SCC(N)=O)s1 ZINC000024727898 531608806 /nfs/dbraw/zinc/60/88/06/531608806.db2.gz JSVJPDRQYVXMTD-UHFFFAOYSA-N 0 0 399.479 2.063 20 5 GEBDRN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 ZINC000026864061 531622239 /nfs/dbraw/zinc/62/22/39/531622239.db2.gz WNYJFFGWKYSLCN-UHFFFAOYSA-N 0 0 388.858 2.216 20 5 GEBDRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154679692 531627977 /nfs/dbraw/zinc/62/79/77/531627977.db2.gz YZCFMTOSXHUAJY-UTUOFQBUSA-N 0 0 388.161 2.249 20 5 GEBDRN NC(=O)Cc1csc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000154969229 531645272 /nfs/dbraw/zinc/64/52/72/531645272.db2.gz ONCQOQRJSADXRJ-UHFFFAOYSA-N 0 0 385.199 2.094 20 5 GEBDRN Cn1ccnc1[C@@H](O)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000154856611 531638161 /nfs/dbraw/zinc/63/81/61/531638161.db2.gz UQCYKILKHJGJGN-ZDUSSCGKSA-N 0 0 396.245 2.436 20 5 GEBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000030530429 531639254 /nfs/dbraw/zinc/63/92/54/531639254.db2.gz YWBMIKGVGSFONN-UHFFFAOYSA-N 0 0 385.423 2.076 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000032097049 531650544 /nfs/dbraw/zinc/65/05/44/531650544.db2.gz SXNPNUUHVFBZNM-UHFFFAOYSA-N 0 0 383.813 2.385 20 5 GEBDRN C[C@@H]1CN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000155051926 531653445 /nfs/dbraw/zinc/65/34/45/531653445.db2.gz YSYNICARIATLDP-WZRBSPASSA-N 0 0 389.246 2.206 20 5 GEBDRN O=C(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)NCC(F)(F)F ZINC000155156889 531660237 /nfs/dbraw/zinc/66/02/37/531660237.db2.gz AJMAPJFMWKNVRK-UHFFFAOYSA-N 0 0 399.123 2.157 20 5 GEBDRN CNC(=O)C1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155149290 531660545 /nfs/dbraw/zinc/66/05/45/531660545.db2.gz FDQMARIKMGWIFH-UHFFFAOYSA-N 0 0 385.218 2.347 20 5 GEBDRN CCC(=O)N1CC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155168905 531661374 /nfs/dbraw/zinc/66/13/74/531661374.db2.gz XBIYHCVFUSTUON-SNVBAGLBSA-N 0 0 385.218 2.490 20 5 GEBDRN CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155182565 531662431 /nfs/dbraw/zinc/66/24/31/531662431.db2.gz CAPUMDXDMHKCFD-UHFFFAOYSA-N 0 0 394.247 2.256 20 5 GEBDRN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000044759782 531686802 /nfs/dbraw/zinc/68/68/02/531686802.db2.gz PSORQMOUKPUORC-UHFFFAOYSA-N 0 0 376.818 2.212 20 5 GEBDRN CC[C@H](C)[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000155743199 531697979 /nfs/dbraw/zinc/69/79/79/531697979.db2.gz MTMLUJVAJQEPEN-QPUJVOFHSA-N 0 0 392.193 2.336 20 5 GEBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1cc(Br)ccc1=O ZINC000047529025 531716087 /nfs/dbraw/zinc/71/60/87/531716087.db2.gz MVASKNKGUUFAIP-UHFFFAOYSA-N 0 0 380.198 2.178 20 5 GEBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000053412092 531762919 /nfs/dbraw/zinc/76/29/19/531762919.db2.gz YSLGNLGVCWTJEX-LBPRGKRZSA-N 0 0 381.186 2.194 20 5 GEBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1cccs1)N(C)C ZINC000052782020 531751487 /nfs/dbraw/zinc/75/14/87/531751487.db2.gz XXFHYROYIIMMDV-GFCCVEGCSA-N 0 0 385.467 2.246 20 5 GEBDRN C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2I)CCOC1 ZINC000157717361 531751632 /nfs/dbraw/zinc/75/16/32/531751632.db2.gz UAKDYVQVICYZPS-LBPRGKRZSA-N 0 0 376.150 2.108 20 5 GEBDRN O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)N1CCc2sccc2C1 ZINC000158351507 531775468 /nfs/dbraw/zinc/77/54/68/531775468.db2.gz WZWXMZKTMDUGSE-UHFFFAOYSA-N 0 0 398.238 2.165 20 5 GEBDRN O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)N1CCc2ccccc2C1 ZINC000158395749 531778616 /nfs/dbraw/zinc/77/86/16/531778616.db2.gz FATNJPOVBFNMNJ-UHFFFAOYSA-N 0 0 392.209 2.104 20 5 GEBDRN COC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000056011462 531801212 /nfs/dbraw/zinc/80/12/12/531801212.db2.gz GPOVOMWOBPCZDN-NSHDSACASA-N 0 0 388.398 2.378 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)c(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 ZINC000159512048 531784087 /nfs/dbraw/zinc/78/40/87/531784087.db2.gz IFHWXDAXFUJLCL-SNVBAGLBSA-N 0 0 394.280 2.211 20 5 GEBDRN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000055830436 531798571 /nfs/dbraw/zinc/79/85/71/531798571.db2.gz BRBBZXRNSSJQJO-SNVBAGLBSA-N 0 0 383.451 2.398 20 5 GEBDRN C[C@](O)(CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1ccccc1Cl ZINC000160190625 531807887 /nfs/dbraw/zinc/80/78/87/531807887.db2.gz XTRGCPYCMVBCRT-HNNXBMFYSA-N 0 0 385.829 2.215 20 5 GEBDRN CC(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000161279871 531829814 /nfs/dbraw/zinc/82/98/14/531829814.db2.gz HMHLXUBGLFTJPQ-VIFPVBQESA-N 0 0 392.193 2.336 20 5 GEBDRN C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000161649642 531833170 /nfs/dbraw/zinc/83/31/70/531833170.db2.gz KCYLMIYBDVPCFY-UWVGGRQHSA-N 0 0 393.259 2.281 20 5 GEBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000061112368 531851215 /nfs/dbraw/zinc/85/12/15/531851215.db2.gz ZJGHWZGQWAWXJS-UHFFFAOYSA-N 0 0 386.817 2.185 20 5 GEBDRN Cc1nnc(SCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000060385527 531841846 /nfs/dbraw/zinc/84/18/46/531841846.db2.gz PZFKWKCRFAVDSN-UHFFFAOYSA-N 0 0 379.467 2.196 20 5 GEBDRN COc1ccc(Br)cc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000064418723 531865789 /nfs/dbraw/zinc/86/57/89/531865789.db2.gz MDDJQAMUCWWDKF-UHFFFAOYSA-N 0 0 383.202 2.269 20 5 GEBDRN CS(=O)(=O)Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000063992926 531864172 /nfs/dbraw/zinc/86/41/72/531864172.db2.gz FKOSGFSDNZWGSK-UHFFFAOYSA-N 0 0 384.435 2.287 20 5 GEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000164717135 531869963 /nfs/dbraw/zinc/86/99/63/531869963.db2.gz AKOKSGJKVMJRBR-UHFFFAOYSA-N 0 0 392.173 2.128 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000067717645 531888395 /nfs/dbraw/zinc/88/83/95/531888395.db2.gz HMJRGCILRHTNHO-SECBINFHSA-N 0 0 377.850 2.138 20 5 GEBDRN CCc1n[nH]c(C(=O)NCCOc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000171805926 531918066 /nfs/dbraw/zinc/91/80/66/531918066.db2.gz ZNGSJMZXBATRQF-UHFFFAOYSA-N 0 0 383.202 2.452 20 5 GEBDRN O=C(CCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])NC1CC1 ZINC000171843657 531920991 /nfs/dbraw/zinc/92/09/91/531920991.db2.gz RPXXJCPZEXSNEX-UHFFFAOYSA-N 0 0 377.369 2.062 20 5 GEBDRN CN(C)C(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000172495030 531955127 /nfs/dbraw/zinc/95/51/27/531955127.db2.gz MWLUKKIPYOJMLO-UHFFFAOYSA-N 0 0 384.230 2.298 20 5 GEBDRN COCCCN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000119428809 531967469 /nfs/dbraw/zinc/96/74/69/531967469.db2.gz FXSQWKYVZKQYPY-GFCCVEGCSA-N 0 0 376.862 2.274 20 5 GEBDRN COCCCN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000119428951 531967967 /nfs/dbraw/zinc/96/79/67/531967967.db2.gz FXSQWKYVZKQYPY-LBPRGKRZSA-N 0 0 376.862 2.274 20 5 GEBDRN CS(=O)(=O)Cc1noc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000172919761 531974064 /nfs/dbraw/zinc/97/40/64/531974064.db2.gz GVWMMTWQBKDYKY-UHFFFAOYSA-N 0 0 381.288 2.120 20 5 GEBDRN COc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1 ZINC000120159563 531975181 /nfs/dbraw/zinc/97/51/81/531975181.db2.gz ASFIZFSMUFWBPH-UHFFFAOYSA-N 0 0 382.170 2.166 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000173183545 531992489 /nfs/dbraw/zinc/99/24/89/531992489.db2.gz WFUZXTSMOCVJIH-SECBINFHSA-N 0 0 379.232 2.123 20 5 GEBDRN Cn1cc(Br)cc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173559563 532019755 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381.352 2.307 20 5 GEBDRN Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000822655811 606209697 /nfs/dbraw/zinc/20/96/97/606209697.db2.gz YRLDUKYGEVGKGQ-UHFFFAOYSA-N 0 0 396.392 2.489 20 5 GEBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821607580 606218064 /nfs/dbraw/zinc/21/80/64/606218064.db2.gz VBSWEYRTQPYKIB-UHFFFAOYSA-N 0 0 375.776 2.039 20 5 GEBDRN COc1ccc([N+](=O)[O-])cc1N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821846256 606242029 /nfs/dbraw/zinc/24/20/29/606242029.db2.gz OVYMYEMNHSMZLP-AWEZNQCLSA-N 0 0 395.379 2.001 20 5 GEBDRN O=C(Nc1ccc(F)cc1-c1nn[nH]n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823346877 606268989 /nfs/dbraw/zinc/26/89/89/606268989.db2.gz RUJYYIFXHGHCGO-UHFFFAOYSA-N 0 0 394.326 2.352 20 5 GEBDRN O=C(COc1ccccc1-c1nn[nH]n1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823055374 606364902 /nfs/dbraw/zinc/36/49/02/606364902.db2.gz NIIBNLKRNJFHPO-UHFFFAOYSA-N 0 0 396.319 2.038 20 5 GEBDRN O=C(Cc1ccc(-c2nn[nH]n2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823077836 606375598 /nfs/dbraw/zinc/37/55/98/606375598.db2.gz BGXFSWLWMAZPHY-UHFFFAOYSA-N 0 0 380.320 2.202 20 5 GEBDRN COc1ccc(C2=NC(=Cc3ccc(-c4nn[nH]n4)s3)C(=O)O2)cc1[N+](=O)[O-] ZINC000821782874 606392158 /nfs/dbraw/zinc/39/21/58/606392158.db2.gz QNOUVQLGQCOSJX-JXMROGBWSA-N 0 0 398.360 2.190 20 5 GEBDRN Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c(Cl)cc1[N+](=O)[O-] ZINC000822206242 606444072 /nfs/dbraw/zinc/44/40/72/606444072.db2.gz ZMIOTHLEHUBQLX-UHFFFAOYSA-N 0 0 391.823 2.111 20 5 GEBDRN CC[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820925088 606483625 /nfs/dbraw/zinc/48/36/25/606483625.db2.gz DBVCHJNHNRWEOZ-OAHLLOKOSA-N 0 0 388.409 2.205 20 5 GEBDRN CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000820121300 606537251 /nfs/dbraw/zinc/53/72/51/606537251.db2.gz PDSYBSYMLIKZRU-UHFFFAOYSA-N 0 0 381.396 2.408 20 5 GEBDRN C[C@@H](OC(=O)c1cc(-c2nn[nH]n2)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820508880 606567313 /nfs/dbraw/zinc/56/73/13/606567313.db2.gz ZPIREGHDUNQMJC-MRVPVSSYSA-N 0 0 388.365 2.020 20 5 GEBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC(OCCCOc2ccccc2)C1 ZINC000823630093 606643950 /nfs/dbraw/zinc/64/39/50/606643950.db2.gz QYBSMJUNEFHQHH-UHFFFAOYSA-N 0 0 396.407 2.449 20 5 GEBDRN C[C@H]1CN(c2ccc(CNc3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)cn2)CCO1 ZINC000820776966 606644661 /nfs/dbraw/zinc/64/46/61/606644661.db2.gz OJCPYGFTVYLWET-LBPRGKRZSA-N 0 0 396.411 2.007 20 5 GEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821845778 606666400 /nfs/dbraw/zinc/66/64/00/606666400.db2.gz JCRJETHMACKHSU-UHFFFAOYSA-N 0 0 376.279 2.314 20 5 GEBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1cccc(Cn2cccn2)c1 ZINC000823625159 606702204 /nfs/dbraw/zinc/70/22/04/606702204.db2.gz RKPXYCSURURYEI-UHFFFAOYSA-N 0 0 377.368 2.027 20 5 GEBDRN C[C@H](CCc1ccc2c(c1)OCO2)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820254635 606702813 /nfs/dbraw/zinc/70/28/13/606702813.db2.gz SLGOSYZVUPFUHX-SNVBAGLBSA-N 0 0 383.368 2.332 20 5 GEBDRN C[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000820777032 606711931 /nfs/dbraw/zinc/71/19/31/606711931.db2.gz OYJBHZLDKMUSAN-HZMBPMFUSA-N 0 0 385.359 2.275 20 5 GEBDRN CN(C)c1cc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c2ccccc2n1 ZINC000821588378 606713540 /nfs/dbraw/zinc/71/35/40/606713540.db2.gz PGDMCUAXQBAQSP-UHFFFAOYSA-N 0 0 391.395 2.396 20 5 GEBDRN CC[C@](C)(CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C1OCCO1 ZINC000820854699 606713651 /nfs/dbraw/zinc/71/36/51/606713651.db2.gz XTKDKRPCMITBGR-MRXNPFEDSA-N 0 0 377.405 2.151 20 5 GEBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC(OCCCc2ccccc2)C1 ZINC000823613395 606715432 /nfs/dbraw/zinc/71/54/32/606715432.db2.gz IHRHGQSKSRNGJO-UHFFFAOYSA-N 0 0 381.396 2.008 20 5 GEBDRN O=[N+]([O-])c1ccc(Cl)c(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000823639751 606772470 /nfs/dbraw/zinc/77/24/70/606772470.db2.gz HAHOSWBGHPMQPH-UHFFFAOYSA-N 0 0 384.787 2.366 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[nH]n2)cc1 ZINC000823644054 606794483 /nfs/dbraw/zinc/79/44/83/606794483.db2.gz DZSMTWQZQXVITQ-UHFFFAOYSA-N 0 0 381.757 2.196 20 5 GEBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823630000 606876814 /nfs/dbraw/zinc/87/68/14/606876814.db2.gz PDRRYXLTSJESGF-MAUKXSAKSA-N 0 0 396.407 2.104 20 5 GEBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821845426 606943643 /nfs/dbraw/zinc/94/36/43/606943643.db2.gz GCIDMFGBLUTQDA-UHFFFAOYSA-N 0 0 399.363 2.409 20 5 GEBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nn[nH]n3)cc2C)c1C ZINC000822137033 607004245 /nfs/dbraw/zinc/00/42/45/607004245.db2.gz UEUJARNNRXEAQH-UHFFFAOYSA-N 0 0 389.393 2.468 20 5 GEBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccccc2-c2nn[nH]n2)c1C ZINC000822270852 607004305 /nfs/dbraw/zinc/00/43/05/607004305.db2.gz AIVBFSGPHFFSSJ-UHFFFAOYSA-N 0 0 375.366 2.159 20 5 GEBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000823665489 607009008 /nfs/dbraw/zinc/00/90/08/607009008.db2.gz MAJAATKGDGXVSK-UHFFFAOYSA-N 0 0 393.338 2.186 20 5 GEBDRN Cn1c(Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC000822604804 607037197 /nfs/dbraw/zinc/03/71/97/607037197.db2.gz LBIUBCGNXHOGNE-UHFFFAOYSA-N 0 0 381.381 2.117 20 5 GEBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3nn[nH]n3)s2)cc1SC ZINC000821727281 607104747 /nfs/dbraw/zinc/10/47/47/607104747.db2.gz GTEAMNGOVAZRPN-UHFFFAOYSA-N 0 0 393.410 2.214 20 5 GEBDRN Cc1cccc(N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)c1C ZINC000822309134 607161679 /nfs/dbraw/zinc/16/16/79/607161679.db2.gz MTKCLMQXVYRFTI-UHFFFAOYSA-N 0 0 380.412 2.113 20 5 GEBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Sc1n[nH]c(Cc2cccs2)n1 ZINC000823629858 607166884 /nfs/dbraw/zinc/16/68/84/607166884.db2.gz JYOZRBVDARADDX-UHFFFAOYSA-N 0 0 387.410 2.092 20 5 GEBDRN Cc1c(C(=O)Oc2ccc(-c3nn[nH]n3)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822021053 607246183 /nfs/dbraw/zinc/24/61/83/607246183.db2.gz TZNDDFIWYVSGCT-UHFFFAOYSA-N 0 0 388.271 2.350 20 5 GEBDRN CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000825379924 607799312 /nfs/dbraw/zinc/79/93/12/607799312.db2.gz MNPKXWWILTTZED-UHFFFAOYSA-N 0 0 398.379 2.459 20 5 GEBDRN C[C@H](CC(=O)OCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824391833 607810845 /nfs/dbraw/zinc/81/08/45/607810845.db2.gz LCAAXGKHUHVQIE-LLVKDONJSA-N 0 0 383.368 2.104 20 5 GEBDRN Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)sc1C ZINC000826326945 607820453 /nfs/dbraw/zinc/82/04/53/607820453.db2.gz LPSQGDAVNKCEGT-UHFFFAOYSA-N 0 0 386.441 2.175 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(F)c2-c2nn[nH]n2)cc1C ZINC000826272398 607867826 /nfs/dbraw/zinc/86/78/26/607867826.db2.gz HGZDSOYNKLVZAW-UHFFFAOYSA-N 0 0 393.356 2.299 20 5 GEBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1OC[C@H](O)COc1ccccc1Cl ZINC000826499358 607876776 /nfs/dbraw/zinc/87/67/76/607876776.db2.gz FSSPOGQWJLHGQC-SNVBAGLBSA-N 0 0 391.771 2.247 20 5 GEBDRN O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000826415595 607928673 /nfs/dbraw/zinc/92/86/73/607928673.db2.gz LGYZMNXEPORGCT-UHFFFAOYSA-N 0 0 392.331 2.296 20 5 GEBDRN O=C(CN1CCc2c1cccc2[N+](=O)[O-])Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826411575 607957867 /nfs/dbraw/zinc/95/78/67/607957867.db2.gz DZISXZCFYNSFMR-UHFFFAOYSA-N 0 0 399.798 2.430 20 5 GEBDRN Cn1cc(-c2ccccc2CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cn1 ZINC000826356233 607966525 /nfs/dbraw/zinc/96/65/25/607966525.db2.gz HQWFOFKSTJHERA-UHFFFAOYSA-N 0 0 377.368 2.183 20 5 GEBDRN O=C1C[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CN1Cc1ccccc1 ZINC000826478905 607968683 /nfs/dbraw/zinc/96/86/83/607968683.db2.gz LTQVUQAUEQSBMT-AWEZNQCLSA-N 0 0 393.407 2.236 20 5 GEBDRN Cc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cc1C ZINC000826290274 607968854 /nfs/dbraw/zinc/96/88/54/607968854.db2.gz HKGMQOCLWMEYAH-UHFFFAOYSA-N 0 0 380.412 2.113 20 5 GEBDRN CCOC(=O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000825517795 607987042 /nfs/dbraw/zinc/98/70/42/607987042.db2.gz MXKJDNUHDIAJGG-UHFFFAOYSA-N 0 0 382.380 2.345 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826498217 608052791 /nfs/dbraw/zinc/05/27/91/608052791.db2.gz LPGHGUGBSIRKAK-CQSZACIVSA-N 0 0 387.787 2.401 20 5 GEBDRN COc1ccccc1OC[C@@H](C)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000826220638 608124181 /nfs/dbraw/zinc/12/41/81/608124181.db2.gz UQJOCDKAPLRCFJ-NSHDSACASA-N 0 0 385.384 2.306 20 5 GEBDRN CCn1c(NC(=O)c2csc([N+](=O)[O-])c2)nc2cc(-c3nn[nH]n3)ccc21 ZINC000825796575 608177670 /nfs/dbraw/zinc/17/76/70/608177670.db2.gz IFMXDDPWJHHYSZ-UHFFFAOYSA-N 0 0 384.381 2.458 20 5 GEBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(-c2nn[nH]n2)c1 ZINC000826499146 608234540 /nfs/dbraw/zinc/23/45/40/608234540.db2.gz XKSWWZRQEKNKHL-LLVKDONJSA-N 0 0 381.400 2.154 20 5 GEBDRN Cc1c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cccc1-c1nn[nH]n1 ZINC000826243212 608267544 /nfs/dbraw/zinc/26/75/44/608267544.db2.gz 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/nfs/dbraw/zinc/71/12/54/646711254.db2.gz LEXUZZGJMXLHMP-SSDOTTSWSA-N 0 0 394.247 2.220 20 5 GEBDRN CC(=O)N1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000280741078 646711557 /nfs/dbraw/zinc/71/15/57/646711557.db2.gz KAQNEAKMCZDLIB-NSHDSACASA-N 0 0 384.230 2.346 20 5 GEBDRN C[S@](=O)C1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000280824791 646721366 /nfs/dbraw/zinc/72/13/66/646721366.db2.gz SRQPXQMWHMLLRJ-NRFANRHFSA-N 0 0 375.244 2.388 20 5 GEBDRN Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281122489 646747452 /nfs/dbraw/zinc/74/74/52/646747452.db2.gz HQZSRNKJSOBSHM-JTQLQIEISA-N 0 0 389.796 2.042 20 5 GEBDRN CC(C)NC(=O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000281153157 646749997 /nfs/dbraw/zinc/74/99/97/646749997.db2.gz KUAOZZBNNMZVNQ-UHFFFAOYSA-N 0 0 384.241 2.047 20 5 GEBDRN C[S@@](=O)C1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000281767732 646797779 /nfs/dbraw/zinc/79/77/79/646797779.db2.gz JWZGPDCTVWTPIA-OAQYLSRUSA-N 0 0 376.232 2.390 20 5 GEBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC=C(Br)C1 ZINC000281776631 646798309 /nfs/dbraw/zinc/79/83/09/646798309.db2.gz KIMXXFJPTIXSRX-JTQLQIEISA-N 0 0 382.214 2.224 20 5 GEBDRN COC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)C1 ZINC000282190138 646819216 /nfs/dbraw/zinc/81/92/16/646819216.db2.gz NUINDMIIOAUKGP-JTQLQIEISA-N 0 0 393.259 2.323 20 5 GEBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000285194104 646849836 /nfs/dbraw/zinc/84/98/36/646849836.db2.gz CPHUTBUAOPHJRS-GHMZBOCLSA-N 0 0 382.360 2.085 20 5 GEBDRN CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H](C)S1(=O)=O ZINC000286313059 646870217 /nfs/dbraw/zinc/87/02/17/646870217.db2.gz GVGMETFVFCPHRH-SCZZXKLOSA-N 0 0 378.248 2.154 20 5 GEBDRN C[C@]12CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C[C@H]1C2(Cl)Cl ZINC000286312190 646870251 /nfs/dbraw/zinc/87/02/51/646870251.db2.gz FHUSPZXWAGWMHL-NEPJUHHUSA-N 0 0 380.253 2.262 20 5 GEBDRN CCOCCN(C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000286370901 646871997 /nfs/dbraw/zinc/87/19/97/646871997.db2.gz JXQVTGRVJYUMHZ-UHFFFAOYSA-N 0 0 385.211 2.153 20 5 GEBDRN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287482622 646888417 /nfs/dbraw/zinc/88/84/17/646888417.db2.gz SZYJPLALBRIKIL-YPMHNXCESA-N 0 0 398.257 2.293 20 5 GEBDRN CC(C)[C@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O ZINC000289754108 647171737 /nfs/dbraw/zinc/17/17/37/647171737.db2.gz GNCHAEUPAUJXRD-LBPRGKRZSA-N 0 0 384.241 2.080 20 5 GEBDRN CC1(C)CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000292544472 647199557 /nfs/dbraw/zinc/19/95/57/647199557.db2.gz HCJQAFJECNNAFF-SNVBAGLBSA-N 0 0 386.323 2.464 20 5 GEBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)NN1CCCC1 ZINC000296648167 647253180 /nfs/dbraw/zinc/25/31/80/647253180.db2.gz FAAFVNDVFSDFFA-UHFFFAOYSA-N 0 0 376.154 2.332 20 5 GEBDRN C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000299691584 647274871 /nfs/dbraw/zinc/27/48/71/647274871.db2.gz LZJHFZZXIBVMLS-BDAKNGLRSA-N 0 0 390.177 2.449 20 5 GEBDRN CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000331155704 647369019 /nfs/dbraw/zinc/36/90/19/647369019.db2.gz CYWVYBGTHPAOKT-LLVKDONJSA-N 0 0 384.230 2.488 20 5 GEBDRN CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000331155706 647369283 /nfs/dbraw/zinc/36/92/83/647369283.db2.gz CYWVYBGTHPAOKT-NSHDSACASA-N 0 0 384.230 2.488 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000331270578 647377104 /nfs/dbraw/zinc/37/71/04/647377104.db2.gz APGDCINUTMIBAN-LBPRGKRZSA-N 0 0 395.275 2.351 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000331398121 647384058 /nfs/dbraw/zinc/38/40/58/647384058.db2.gz LEJVVVSXIZWBMH-GFCCVEGCSA-N 0 0 390.845 2.255 20 5 GEBDRN CSc1cccc(-c2nc(CC(=O)N3CCSCC3)no2)c1[N+](=O)[O-] ZINC000350270083 647530775 /nfs/dbraw/zinc/53/07/75/647530775.db2.gz KWVLIMBVAUCAGQ-UHFFFAOYSA-N 0 0 380.451 2.485 20 5 GEBDRN O=C(c1cc2c(s1)CCS(=O)(=O)C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000363698569 647605599 /nfs/dbraw/zinc/60/55/99/647605599.db2.gz OKHWKYGORKBPPD-UHFFFAOYSA-N 0 0 378.431 2.330 20 5 GEBDRN CCC(=O)N1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000364420274 647626848 /nfs/dbraw/zinc/62/68/48/647626848.db2.gz KHCGGZKEZVKZDA-UHFFFAOYSA-N 0 0 389.861 2.190 20 5 GEBDRN Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000365189889 647663161 /nfs/dbraw/zinc/66/31/61/647663161.db2.gz FEOFECQLAJYNCT-CQSZACIVSA-N 0 0 385.511 2.023 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[S@](=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000365334383 647667722 /nfs/dbraw/zinc/66/77/22/647667722.db2.gz QAJNGICSLLFIOI-GTUYJWLHSA-N 0 0 380.875 2.088 20 5 GEBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC12CCOCC2 ZINC000366803400 647705867 /nfs/dbraw/zinc/70/58/67/647705867.db2.gz YNDWGAZMPAYEFR-UHFFFAOYSA-N 0 0 391.243 2.301 20 5 GEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@]12CCOC2 ZINC000366960526 647711149 /nfs/dbraw/zinc/71/11/49/647711149.db2.gz HCGFGGDSUVFDSM-ZDUSSCGKSA-N 0 0 391.243 2.301 20 5 GEBDRN Cc1nc(CN(C)[C@H]2CCN(c3c(Br)cncc3[N+](=O)[O-])C2)no1 ZINC000367341951 647730857 /nfs/dbraw/zinc/73/08/57/647730857.db2.gz IQZFZXCKJZYAFQ-JTQLQIEISA-N 0 0 397.233 2.154 20 5 GEBDRN O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000367521466 647734555 /nfs/dbraw/zinc/73/45/55/647734555.db2.gz WLXKOQYIBKRSAM-ABAIWWIYSA-N 0 0 385.214 2.425 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(OC3CCOCC3)CC2)s1 ZINC000371762350 647797592 /nfs/dbraw/zinc/79/75/92/647797592.db2.gz IBTTVGZTMGRGJA-UHFFFAOYSA-N 0 0 376.456 2.005 20 5 GEBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]1c1cccc(Br)c1 ZINC000371771883 647798077 /nfs/dbraw/zinc/79/80/77/647798077.db2.gz GEJLYXAHSFEVNA-CQSZACIVSA-N 0 0 392.209 2.493 20 5 GEBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000372179380 647802452 /nfs/dbraw/zinc/80/24/52/647802452.db2.gz GOJSQSDEZXVQNV-LBPRGKRZSA-N 0 0 383.813 2.072 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(n2ccnn2)CC1 ZINC000373191072 647810612 /nfs/dbraw/zinc/81/06/12/647810612.db2.gz NOINPLPWBXRGLF-UHFFFAOYSA-N 0 0 385.833 2.174 20 5 GEBDRN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@]2(CCCOC2)O1 ZINC000373682741 647816745 /nfs/dbraw/zinc/81/67/45/647816745.db2.gz FRJKFYWOCAGTAU-AWEZNQCLSA-N 0 0 376.456 2.005 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000373684925 647816997 /nfs/dbraw/zinc/81/69/97/647816997.db2.gz LJPGSXXCPPKHHX-XHDPSFHLSA-N 0 0 390.845 2.125 20 5 GEBDRN Cc1c(Br)cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000375220702 647829224 /nfs/dbraw/zinc/82/92/24/647829224.db2.gz DDRWCGPWYVDHEM-SWLSCSKDSA-N 0 0 396.241 2.453 20 5 GEBDRN CN1CCC2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)C1=O ZINC000375953345 647838138 /nfs/dbraw/zinc/83/81/38/647838138.db2.gz GXABQZSDAMETAE-UHFFFAOYSA-N 0 0 396.241 2.442 20 5 GEBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC[C@@](O)(C2CC2)C1 ZINC000377485246 647860217 /nfs/dbraw/zinc/86/02/17/647860217.db2.gz AJHDZILZARKYBN-ZDUSSCGKSA-N 0 0 380.344 2.240 20 5 GEBDRN C[C@]1(C(N)=O)CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000377866850 647870568 /nfs/dbraw/zinc/87/05/68/647870568.db2.gz ZPQLCMLAGFINDF-CYBMUJFWSA-N 0 0 396.252 2.320 20 5 GEBDRN Cc1sc(C(=O)NC2CCC(N3CCCS3(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000377965220 647873822 /nfs/dbraw/zinc/87/38/22/647873822.db2.gz VQTXFTDQUVJGGT-UHFFFAOYSA-N 0 0 387.483 2.041 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(C)C(=O)C1(C)C ZINC000408005489 647915818 /nfs/dbraw/zinc/91/58/18/647915818.db2.gz QXDABCYKTKCUQA-UHFFFAOYSA-N 0 0 384.230 2.359 20 5 GEBDRN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000408344551 647946097 /nfs/dbraw/zinc/94/60/97/647946097.db2.gz YMGWTPAVMNUSJE-APJWKNSMSA-N 0 0 375.244 2.339 20 5 GEBDRN O=C(NCc1ccnc2ccnn21)c1sc(Br)cc1[N+](=O)[O-] ZINC000409612500 647973217 /nfs/dbraw/zinc/97/32/17/647973217.db2.gz MATILQIRTUOAGU-UHFFFAOYSA-N 0 0 382.199 2.392 20 5 GEBDRN Cc1c(Br)ccc2c1N(C(=O)Cn1cnc([N+](=O)[O-])n1)CCC2 ZINC000411094629 648022948 /nfs/dbraw/zinc/02/29/48/648022948.db2.gz PYYFPUAEDYHZDL-UHFFFAOYSA-N 0 0 380.202 2.237 20 5 GEBDRN COCC(COC)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000413472948 648065694 /nfs/dbraw/zinc/06/56/94/648065694.db2.gz LBTMIDVJTCMPSQ-UHFFFAOYSA-N 0 0 388.262 2.141 20 5 GEBDRN CCC[C@H](O)[C@H](CO)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000413497091 648067844 /nfs/dbraw/zinc/06/78/44/648067844.db2.gz SHKJTBBTLLZJJM-JSGCOSHPSA-N 0 0 384.230 2.261 20 5 GEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1csnn1 ZINC000413554773 648072782 /nfs/dbraw/zinc/07/27/82/648072782.db2.gz NTVWPRPTHTVVQD-SNVBAGLBSA-N 0 0 383.455 2.404 20 5 GEBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@]2(CCOC2)C1 ZINC000416426019 648124172 /nfs/dbraw/zinc/12/41/72/648124172.db2.gz KQUCSXCQPROEEB-CYBMUJFWSA-N 0 0 380.344 2.415 20 5 GEBDRN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000416426784 648124200 /nfs/dbraw/zinc/12/42/00/648124200.db2.gz AOCKFZSZODIBDQ-SECBINFHSA-N 0 0 378.353 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CN(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000143366587 532296159 /nfs/dbraw/zinc/29/61/59/532296159.db2.gz KCHSTEILCUMFOH-UHFFFAOYSA-N 0 0 381.376 2.474 20 5 GEBDRN CC(C)n1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000181408820 532298136 /nfs/dbraw/zinc/29/81/36/532298136.db2.gz NAORONHMOGPSBB-LLVKDONJSA-N 0 0 385.471 2.397 20 5 GEBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 ZINC000146622519 532298259 /nfs/dbraw/zinc/29/82/59/532298259.db2.gz QSMBGVVCHDPXPG-UHFFFAOYSA-N 0 0 387.767 2.117 20 5 GEBDRN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Nc1cccnc1 ZINC000151239431 532308481 /nfs/dbraw/zinc/30/84/81/532308481.db2.gz DSPWNEBCFBHVMI-UHFFFAOYSA-N 0 0 379.170 2.121 20 5 GEBDRN COCCN(Cc1ccccn1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146905006 532299049 /nfs/dbraw/zinc/29/90/49/532299049.db2.gz SEDJPXDDUPRHDC-UHFFFAOYSA-N 0 0 385.829 2.481 20 5 GEBDRN COc1cc(Br)ccc1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000181768945 532306260 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GEBDRN CC[C@H](CO)N1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000183684888 532327786 /nfs/dbraw/zinc/32/77/86/532327786.db2.gz PRDKXGLCHVXQTF-CYBMUJFWSA-N 0 0 387.889 2.255 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCN(CC(F)(F)F)CC2)s1 ZINC000188332358 532347860 /nfs/dbraw/zinc/34/78/60/532347860.db2.gz VYAQUQRQWAHYID-UHFFFAOYSA-N 0 0 387.405 2.209 20 5 GEBDRN Cc1ccc(C[C@@H](CO)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000188352492 532347987 /nfs/dbraw/zinc/34/79/87/532347987.db2.gz IVQJZQVKZNODMO-ZDUSSCGKSA-N 0 0 384.841 2.439 20 5 GEBDRN CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1=O ZINC000188825580 532349781 /nfs/dbraw/zinc/34/97/81/532349781.db2.gz VVBDHSOMYIFITI-UHFFFAOYSA-N 0 0 389.861 2.270 20 5 GEBDRN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000189097919 532350974 /nfs/dbraw/zinc/35/09/74/532350974.db2.gz LMZNYFWASLHOKL-CYBMUJFWSA-N 0 0 384.230 2.344 20 5 GEBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H](C)O ZINC000189437871 532352336 /nfs/dbraw/zinc/35/23/36/532352336.db2.gz FRQZZJMARHXGBG-VIFPVBQESA-N 0 0 381.248 2.057 20 5 GEBDRN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@H]1CO ZINC000189694592 532353317 /nfs/dbraw/zinc/35/33/17/532353317.db2.gz STRFVOPIKQPKLG-PELKAZGASA-N 0 0 390.177 2.042 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1Br ZINC000190649012 532357179 /nfs/dbraw/zinc/35/71/79/532357179.db2.gz YMBQHMSULNPHKG-IRUJWGPZSA-N 0 0 391.243 2.203 20 5 GEBDRN CCOCCOCCN(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190811329 532358066 /nfs/dbraw/zinc/35/80/66/532358066.db2.gz VARVIVSVSIKXTE-UHFFFAOYSA-N 0 0 375.219 2.482 20 5 GEBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000191279493 532360222 /nfs/dbraw/zinc/36/02/22/532360222.db2.gz PDNHLMMOPYCSCH-NSHDSACASA-N 0 0 384.223 2.493 20 5 GEBDRN COc1c(F)cc(S(=O)(=O)NCCc2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000187446616 532344455 /nfs/dbraw/zinc/34/44/55/532344455.db2.gz XDPTWFQUXDMBLQ-UHFFFAOYSA-N 0 0 389.430 2.337 20 5 GEBDRN COCCOC(=O)CS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000278324306 532375609 /nfs/dbraw/zinc/37/56/09/532375609.db2.gz KDSAWYDBHWTHEF-VIFPVBQESA-N 0 0 376.818 2.498 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCO[C@@H](COC(C)C)C2)c1 ZINC000372212996 532376383 /nfs/dbraw/zinc/37/63/83/532376383.db2.gz VNPZMIJAHVXCSB-GFCCVEGCSA-N 0 0 392.861 2.371 20 5 GEBDRN Cc1c(Br)cc(C(=O)N2CC[C@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425069927 532363739 /nfs/dbraw/zinc/36/37/39/532363739.db2.gz WAVHAASNWKJVBC-VIFPVBQESA-N 0 0 380.202 2.414 20 5 GEBDRN CN1C[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589926428 532365324 /nfs/dbraw/zinc/36/53/24/532365324.db2.gz UTKUSIBKVPRDJQ-PRHODGIISA-N 0 0 380.253 2.226 20 5 GEBDRN C[C@@H]1COCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000278010710 532368944 /nfs/dbraw/zinc/36/89/44/532368944.db2.gz VURIOFKXLDBOAR-PRHODGIISA-N 0 0 379.232 2.061 20 5 GEBDRN O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000372072212 532370716 /nfs/dbraw/zinc/37/07/16/532370716.db2.gz GKDJCKOTRNAVGF-MFKMUULPSA-N 0 0 388.829 2.007 20 5 GEBDRN C[C@H](Sc1nnc([C@@H]2CCS(=O)(=O)C2)n1C)c1ccccc1[N+](=O)[O-] ZINC000463261606 532371346 /nfs/dbraw/zinc/37/13/46/532371346.db2.gz VWLROMBVSHXMJQ-WDEREUQCSA-N 0 0 382.467 2.479 20 5 GEBDRN C[C@H](Sc1nnc([C@H]2CCS(=O)(=O)C2)n1C)c1ccccc1[N+](=O)[O-] ZINC000463261605 532371436 /nfs/dbraw/zinc/37/14/36/532371436.db2.gz VWLROMBVSHXMJQ-QWRGUYRKSA-N 0 0 382.467 2.479 20 5 GEBDRN CS(=O)(=O)C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000557770846 532371805 /nfs/dbraw/zinc/37/18/05/532371805.db2.gz OMRCKFLHACTXGQ-SECBINFHSA-N 0 0 380.344 2.120 20 5 GEBDRN O=[N+]([O-])c1cc(I)ccc1N1CC[C@H](c2nnc[nH]2)C1 ZINC000425280659 532381362 /nfs/dbraw/zinc/38/13/62/532381362.db2.gz HPNWRJZRCFSBJJ-QMMMGPOBSA-N 0 0 385.165 2.311 20 5 GEBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425304701 532382549 /nfs/dbraw/zinc/38/25/49/532382549.db2.gz QKNFSKZCTRGBBO-QMMMGPOBSA-N 0 0 397.185 2.466 20 5 GEBDRN COC[C@@H]1CCCCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000372301712 532383766 /nfs/dbraw/zinc/38/37/66/532383766.db2.gz OQEJOCVYJLFRGY-LLVKDONJSA-N 0 0 376.406 2.180 20 5 GEBDRN Cc1cc(Cl)c(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000294823620 532386406 /nfs/dbraw/zinc/38/64/06/532386406.db2.gz KSNHXWIYRXCJIA-UHFFFAOYSA-N 0 0 389.861 2.053 20 5 GEBDRN CC[C@@H](COCC(F)(F)F)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000294854176 532386931 /nfs/dbraw/zinc/38/69/31/532386931.db2.gz BLHBBIXZRFAHBV-VIFPVBQESA-N 0 0 385.364 2.272 20 5 GEBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000278892643 532387778 /nfs/dbraw/zinc/38/77/78/532387778.db2.gz QOHCPHLTYQSOBP-LLVKDONJSA-N 0 0 394.229 2.100 20 5 GEBDRN CC[C@H](C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC)OC ZINC000294906234 532389243 /nfs/dbraw/zinc/38/92/43/532389243.db2.gz HTLWTDKZRFJCAT-FZMZJTMJSA-N 0 0 375.447 2.250 20 5 GEBDRN COCC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000558421569 532389429 /nfs/dbraw/zinc/38/94/29/532389429.db2.gz MBFHPMWRMMCKGE-UHFFFAOYSA-N 0 0 387.230 2.212 20 5 GEBDRN C[C@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000558460155 532391894 /nfs/dbraw/zinc/39/18/94/532391894.db2.gz NBIGIPTXGNAOCK-ZANVPECISA-N 0 0 376.194 2.402 20 5 GEBDRN C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000464216343 532393371 /nfs/dbraw/zinc/39/33/71/532393371.db2.gz PXGPVLJDCKGEHR-PSASIEDQSA-N 0 0 399.252 2.062 20 5 GEBDRN CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)C1=O ZINC000372557223 532397572 /nfs/dbraw/zinc/39/75/72/532397572.db2.gz LXWHJWRQLPKLLD-MRXNPFEDSA-N 0 0 396.241 2.442 20 5 GEBDRN Cc1cc(N2CCC[C@H](Nc3c(Br)cncc3[N+](=O)[O-])C2)n(C)n1 ZINC000516963996 532399779 /nfs/dbraw/zinc/39/97/79/532399779.db2.gz IPGNJHVMIGHBJA-NSHDSACASA-N 0 0 395.261 2.297 20 5 GEBDRN Cn1ccc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Br)C2)n1 ZINC000372666313 532400014 /nfs/dbraw/zinc/40/00/14/532400014.db2.gz XEWPVGXOTKNASW-JTQLQIEISA-N 0 0 394.229 2.100 20 5 GEBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCO[C@@]3(CCOC3)C2)c1Cl ZINC000295114774 532406062 /nfs/dbraw/zinc/40/60/62/532406062.db2.gz IYUULWSONHZCMH-ZDUSSCGKSA-N 0 0 397.236 2.082 20 5 GEBDRN Nc1ccc([N+](=O)[O-])c(N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000192773411 532408782 /nfs/dbraw/zinc/40/87/82/532408782.db2.gz DZMFNLQYAUAAGV-UHFFFAOYSA-N 0 0 382.467 2.186 20 5 GEBDRN Cn1cnnc1Sc1ccc(C(=O)NC[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000465014942 532408857 /nfs/dbraw/zinc/40/88/57/532408857.db2.gz FHZBBCMKNVSJNJ-NSHDSACASA-N 0 0 379.467 2.500 20 5 GEBDRN C[C@H]1CC[S@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000372879431 532415456 /nfs/dbraw/zinc/41/54/56/532415456.db2.gz PBJDMWWFXGYVPK-FPVGNUTFSA-N 0 0 375.244 2.340 20 5 GEBDRN CC(C)Cc1nnc(NC(=O)CN(C)C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000560684388 532420943 /nfs/dbraw/zinc/42/09/43/532420943.db2.gz VDAFEJDLDCGAGG-UHFFFAOYSA-N 0 0 383.455 2.417 20 5 GEBDRN Cc1ccc(C)c(S(=O)(=O)NCc2noc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000281150737 532421153 /nfs/dbraw/zinc/42/11/53/532421153.db2.gz KRLADRMLCYFBKS-UHFFFAOYSA-N 0 0 380.304 2.092 20 5 GEBDRN Cc1n[nH]c(C(=O)N(CCO)Cc2cc(Br)cs2)c1[N+](=O)[O-] ZINC000427570047 532426211 /nfs/dbraw/zinc/42/62/11/532426211.db2.gz RPGQXOOUTZYRGB-UHFFFAOYSA-N 0 0 389.231 2.085 20 5 GEBDRN O=[N+]([O-])c1cncc(Br)c1NC1CCN(c2cccnn2)CC1 ZINC000373022578 532426639 /nfs/dbraw/zinc/42/66/39/532426639.db2.gz URZBXFDCVBPNPG-UHFFFAOYSA-N 0 0 379.218 2.045 20 5 GEBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccncc1I ZINC000427634471 532428616 /nfs/dbraw/zinc/42/86/16/532428616.db2.gz SZYQCOXREMWVRC-UHFFFAOYSA-N 0 0 399.144 2.277 20 5 GEBDRN NS(=O)(=O)c1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000466468109 532428753 /nfs/dbraw/zinc/42/87/53/532428753.db2.gz AVZPDUTVGBVRLP-UHFFFAOYSA-N 0 0 384.801 2.217 20 5 GEBDRN CS(=O)(=O)c1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000517777646 532427604 /nfs/dbraw/zinc/42/76/04/532427604.db2.gz JUYQRLYPNQDDNN-UHFFFAOYSA-N 0 0 390.389 2.197 20 5 GEBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000591975449 532430925 /nfs/dbraw/zinc/43/09/25/532430925.db2.gz MRADIYNCHHDVNQ-ZDUSSCGKSA-N 0 0 380.344 2.008 20 5 GEBDRN CNC(=O)[C@]1(C(F)(F)F)CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000591993708 532431874 /nfs/dbraw/zinc/43/18/74/532431874.db2.gz MSHUIUMCLQFCQS-NSHDSACASA-N 0 0 397.151 2.257 20 5 GEBDRN C[C@@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000373158372 532434502 /nfs/dbraw/zinc/43/45/02/532434502.db2.gz KOJYSNYLJKNSKN-GLEHDBDLSA-N 0 0 381.273 2.259 20 5 GEBDRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc([N+](=O)[O-])o1 ZINC000373156949 532434797 /nfs/dbraw/zinc/43/47/97/532434797.db2.gz AYPFUKVKVRARFV-LLVKDONJSA-N 0 0 394.181 2.486 20 5 GEBDRN Cc1sc(S(=O)(=O)N2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000467068921 532437919 /nfs/dbraw/zinc/43/79/19/532437919.db2.gz HXTOEXVLGMGHAJ-KWQFWETISA-N 0 0 388.389 2.431 20 5 GEBDRN COC(=O)c1cccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467068755 532438420 /nfs/dbraw/zinc/43/84/20/532438420.db2.gz GXFNSSIEJBBSJV-UHFFFAOYSA-N 0 0 384.435 2.272 20 5 GEBDRN CC(=O)NC1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467068487 532438438 /nfs/dbraw/zinc/43/84/38/532438438.db2.gz DWRLQRJSNSRNDS-UHFFFAOYSA-N 0 0 375.472 2.033 20 5 GEBDRN CC[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)S1(=O)=O ZINC000561693330 532448496 /nfs/dbraw/zinc/44/84/96/532448496.db2.gz DRQHRHDSFWZQEP-MFKMUULPSA-N 0 0 389.861 2.355 20 5 GEBDRN C[C@@H]1SCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592323294 532448619 /nfs/dbraw/zinc/44/86/19/532448619.db2.gz GGTAZCIGKYYMTJ-IONNQARKSA-N 0 0 375.353 2.145 20 5 GEBDRN O=C(NC[C@H](O)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000467629246 532451472 /nfs/dbraw/zinc/45/14/72/532451472.db2.gz JTJKBZJJZJJZGW-VIFPVBQESA-N 0 0 376.209 2.189 20 5 GEBDRN O=c1c2cc[nH]c2ncn1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562038998 532456834 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GEBDRN CS(=O)(=O)N1CCC(N(Cc2csc([N+](=O)[O-])c2)CC(F)F)CC1 ZINC000282426454 532466647 /nfs/dbraw/zinc/46/66/47/532466647.db2.gz JTEKCBWGWCBRMQ-UHFFFAOYSA-N 0 0 383.442 2.147 20 5 GEBDRN COCC1(C)CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000562502974 532468722 /nfs/dbraw/zinc/46/87/22/532468722.db2.gz RGWLWCUDZDWXTI-UHFFFAOYSA-N 0 0 390.177 2.308 20 5 GEBDRN CCC(CC)(NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O ZINC000295689856 532468966 /nfs/dbraw/zinc/46/89/66/532468966.db2.gz LMYKXMQKMQEDRX-UHFFFAOYSA-N 0 0 384.241 2.224 20 5 GEBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000593100255 532470413 /nfs/dbraw/zinc/47/04/13/532470413.db2.gz HERBAFSOKUBOHX-LBPRGKRZSA-N 0 0 395.213 2.236 20 5 GEBDRN COC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000195489980 532479721 /nfs/dbraw/zinc/47/97/21/532479721.db2.gz GTGINOUPMPDEBM-MRVPVSSYSA-N 0 0 378.166 2.212 20 5 GEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCN3CCOCC3)C2)c(Br)c1 ZINC000373957324 532481796 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COC(=O)[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC000488749269 532702862 /nfs/dbraw/zinc/70/28/62/532702862.db2.gz IKGLJDGXIZMZLM-CABZTGNLSA-N 0 0 376.456 2.084 20 5 GEBDRN COC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000603412740 532694189 /nfs/dbraw/zinc/69/41/89/532694189.db2.gz OAMMKICIFTWZMC-ZETCQYMHSA-N 0 0 378.166 2.273 20 5 GEBDRN O=C(NC[C@H](CO)Cc1cccnc1)c1ccc([N+](=O)[O-])cc1Br ZINC000299096280 532694874 /nfs/dbraw/zinc/69/48/74/532694874.db2.gz VQPZTSFZWLYPNK-GFCCVEGCSA-N 0 0 394.225 2.333 20 5 GEBDRN COCCN(Cc1scnc1C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000487400404 532697813 /nfs/dbraw/zinc/69/78/13/532697813.db2.gz UQRZPMPUIDCLMK-UHFFFAOYSA-N 0 0 385.467 2.338 20 5 GEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(S(C)(=O)=O)cc2)s1 ZINC000537089216 532704113 /nfs/dbraw/zinc/70/41/13/532704113.db2.gz TZRMJWPOMCYSDA-UHFFFAOYSA-N 0 0 377.421 2.256 20 5 GEBDRN COC[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000266202422 532706563 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GEBDRN CN(C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)S(C)(=O)=O ZINC000299408633 532715504 /nfs/dbraw/zinc/71/55/04/532715504.db2.gz PNJQWARYAOPFSJ-UHFFFAOYSA-N 0 0 390.849 2.136 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)N(C)Cc2ccon2)cc1[N+](=O)[O-] ZINC000266430611 532720339 /nfs/dbraw/zinc/72/03/39/532720339.db2.gz IKVRLVWMSJIMCW-UHFFFAOYSA-N 0 0 390.215 2.474 20 5 GEBDRN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000495239124 532720659 /nfs/dbraw/zinc/72/06/59/532720659.db2.gz NAVDEWWFMCWPRQ-QMMMGPOBSA-N 0 0 380.202 2.386 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nccn1CC(F)(F)F ZINC000539173406 532725268 /nfs/dbraw/zinc/72/52/68/532725268.db2.gz QQHPHXKQKBFBMV-UHFFFAOYSA-N 0 0 378.332 2.141 20 5 GEBDRN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCSC1 ZINC000286037463 532726120 /nfs/dbraw/zinc/72/61/20/532726120.db2.gz QFZXOTYXVATUCD-ZCFIWIBFSA-N 0 0 385.236 2.280 20 5 GEBDRN CN(Cc1nc(C(F)(F)F)cs1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000266829683 532727019 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/nfs/dbraw/zinc/77/97/56/532779756.db2.gz DTRGRAUVPLLGFW-AWEZNQCLSA-N 0 0 386.495 2.459 20 5 GEBDRN Cc1cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302628480 532771333 /nfs/dbraw/zinc/77/13/33/532771333.db2.gz BMVSHNACEBDJEK-HNNXBMFYSA-N 0 0 398.257 2.493 20 5 GEBDRN C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000588797331 532771266 /nfs/dbraw/zinc/77/12/66/532771266.db2.gz MOOSZWWEIMBTJP-PHIMTYICSA-N 0 0 385.873 2.259 20 5 GEBDRN CCS(=O)(=O)N1CC(CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000302587472 532771555 /nfs/dbraw/zinc/77/15/55/532771555.db2.gz VNMPYDJEEVXWCX-UHFFFAOYSA-N 0 0 378.248 2.051 20 5 GEBDRN CC[C@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1)C(F)F ZINC000452253567 532773724 /nfs/dbraw/zinc/77/37/24/532773724.db2.gz XTQUONBAWDZVCU-DTWKUNHWSA-N 0 0 379.385 2.199 20 5 GEBDRN CN(C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000269004970 532773976 /nfs/dbraw/zinc/77/39/76/532773976.db2.gz MIVGSFDCDOZJMK-UHFFFAOYSA-N 0 0 392.275 2.218 20 5 GEBDRN Cc1sc(S(=O)(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000510467704 532774361 /nfs/dbraw/zinc/77/43/61/532774361.db2.gz QLJXEKOLOTYJHU-NSHDSACASA-N 0 0 388.389 2.433 20 5 GEBDRN CCOCCO[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269632471 532785022 /nfs/dbraw/zinc/78/50/22/532785022.db2.gz FYTBJDDBGRASQR-NSHDSACASA-N 0 0 378.834 2.064 20 5 GEBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCN(Cc2ccsc2)CC1 ZINC000546799697 532786345 /nfs/dbraw/zinc/78/63/45/532786345.db2.gz YARDUFMOJIXZJD-UHFFFAOYSA-N 0 0 381.479 2.304 20 5 GEBDRN O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(Cl)s1 ZINC000457131951 532787499 /nfs/dbraw/zinc/78/74/99/532787499.db2.gz ZTJJXIKPCDRYHR-UHFFFAOYSA-N 0 0 380.813 2.236 20 5 GEBDRN COC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000325897412 532789595 /nfs/dbraw/zinc/78/95/95/532789595.db2.gz VSAWJTLNYMDAFX-UHFFFAOYSA-N 0 0 376.818 2.355 20 5 GEBDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000287307723 532790394 /nfs/dbraw/zinc/79/03/94/532790394.db2.gz NAORZPCYPJQQAZ-GXFFZTMASA-N 0 0 389.861 2.086 20 5 GEBDRN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000287307718 532790629 /nfs/dbraw/zinc/79/06/29/532790629.db2.gz NAORZPCYPJQQAZ-GWCFXTLKSA-N 0 0 389.861 2.086 20 5 GEBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457335227 532790840 /nfs/dbraw/zinc/79/08/40/532790840.db2.gz WRIVOUUSZPEGEW-LLVKDONJSA-N 0 0 380.202 2.463 20 5 GEBDRN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000287314957 532791039 /nfs/dbraw/zinc/79/10/39/532791039.db2.gz NLKZJQIPARRSFY-ZYHUDNBSSA-N 0 0 389.861 2.086 20 5 GEBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000328018659 532793267 /nfs/dbraw/zinc/79/32/67/532793267.db2.gz MOMOZGNHRUQPAA-RYUDHWBXSA-N 0 0 390.458 2.409 20 5 GEBDRN COC(=O)c1cc(Cl)c(OC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(Cl)c1 ZINC000270082548 532794365 /nfs/dbraw/zinc/79/43/65/532794365.db2.gz GYFWUPCWTUUUCP-SNVBAGLBSA-N 0 0 390.179 2.325 20 5 GEBDRN Cc1cc(NCCNS(=O)(=O)NC(C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549564935 532794377 /nfs/dbraw/zinc/79/43/77/532794377.db2.gz RFRZNVHJJFUNCG-UHFFFAOYSA-N 0 0 384.380 2.166 20 5 GEBDRN C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000549556761 532794899 /nfs/dbraw/zinc/79/48/99/532794899.db2.gz PGKGIWVHBBGNLB-RNCFNFMXSA-N 0 0 393.259 2.187 20 5 GEBDRN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000549588834 532795441 /nfs/dbraw/zinc/79/54/41/532795441.db2.gz CXQKXPVLNVVBPV-LLVKDONJSA-N 0 0 383.451 2.143 20 5 GEBDRN CCN([C@@H]1CCOC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462287473 532802618 /nfs/dbraw/zinc/80/26/18/532802618.db2.gz GXMZOMZSYVGVMR-SNVBAGLBSA-N 0 0 379.232 2.157 20 5 GEBDRN COC(=O)C1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000272105735 532813204 /nfs/dbraw/zinc/81/32/04/532813204.db2.gz MIBHQEBASMRFCP-UHFFFAOYSA-N 0 0 376.818 2.130 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)c2nnc3n2CCC3)c1 ZINC000272402304 532815071 /nfs/dbraw/zinc/81/50/71/532815071.db2.gz BDLUEPXJVGPNRI-SECBINFHSA-N 0 0 385.833 2.134 20 5 GEBDRN CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(=O)(=O)CC ZINC000272266219 532814395 /nfs/dbraw/zinc/81/43/95/532814395.db2.gz VURIGVCHRSYHPW-NSHDSACASA-N 0 0 378.397 2.358 20 5 GEBDRN COC(=O)c1cnc(NCCCn2cc(Br)cn2)c([N+](=O)[O-])c1 ZINC000288109740 532817696 /nfs/dbraw/zinc/81/76/96/532817696.db2.gz BOQQZABUFGYYFQ-UHFFFAOYSA-N 0 0 384.190 2.238 20 5 GEBDRN Cc1ccc(NC(=O)C(=O)N(C)CC(F)(F)Br)cc1[N+](=O)[O-] ZINC000288081092 532816800 /nfs/dbraw/zinc/81/68/00/532816800.db2.gz HFHIXTJDADMVRR-UHFFFAOYSA-N 0 0 380.145 2.288 20 5 GEBDRN C[C@]1(CO)CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000330483030 532819017 /nfs/dbraw/zinc/81/90/17/532819017.db2.gz UYXSGAYXZOWPAH-QWHCGFSZSA-N 0 0 393.259 2.187 20 5 GEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)c1nccs1 ZINC000273279269 532821978 /nfs/dbraw/zinc/82/19/78/532821978.db2.gz IVEODFLRDHLUII-JTQLQIEISA-N 0 0 386.455 2.449 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000273266195 532822029 /nfs/dbraw/zinc/82/20/29/532822029.db2.gz WMKJRRLKHKMCEW-ZDUSSCGKSA-N 0 0 388.877 2.474 20 5 GEBDRN C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1C ZINC000330631204 532823261 /nfs/dbraw/zinc/82/32/61/532823261.db2.gz FJJIDPGUNKDRNZ-UWVGGRQHSA-N 0 0 381.376 2.327 20 5 GEBDRN CS(=O)(=O)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000414401548 532824786 /nfs/dbraw/zinc/82/47/86/532824786.db2.gz YPCAWSKECRNXBR-NSHDSACASA-N 0 0 382.467 2.141 20 5 GEBDRN CCO[C@@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273495169 532824870 /nfs/dbraw/zinc/82/48/70/532824870.db2.gz NBXXAUDXSLGWNF-MISXGVKJSA-N 0 0 376.456 2.198 20 5 GEBDRN CCO[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273595559 532827608 /nfs/dbraw/zinc/82/76/08/532827608.db2.gz KOZCELNLUCDZNY-GZBFAFLISA-N 0 0 390.845 2.253 20 5 GEBDRN CC[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000288629699 532833467 /nfs/dbraw/zinc/83/34/67/532833467.db2.gz KEKQYMQJKWTENG-KOLCDFICSA-N 0 0 392.836 2.354 20 5 GEBDRN CN1N=C(c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CCC1=O ZINC000273872824 532836378 /nfs/dbraw/zinc/83/63/78/532836378.db2.gz QKQOKMSGUVJWKX-UHFFFAOYSA-N 0 0 394.185 2.287 20 5 GEBDRN CO[C@@H](C)CN(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000288690785 532835122 /nfs/dbraw/zinc/83/51/22/532835122.db2.gz CPOOAPVPKCOVKX-QMMMGPOBSA-N 0 0 378.166 2.306 20 5 GEBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)O[C@H]1CCc2cc(Br)cnc21 ZINC000288697870 532835183 /nfs/dbraw/zinc/83/51/83/532835183.db2.gz DDDLIYQJBAZWIY-LBPRGKRZSA-N 0 0 394.181 2.145 20 5 GEBDRN CSc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000331388273 532838626 /nfs/dbraw/zinc/83/86/26/532838626.db2.gz DAMWRWANFHNPQV-ZDUSSCGKSA-N 0 0 381.479 2.454 20 5 GEBDRN CCOCC(C)(C)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC ZINC000288822842 532839767 /nfs/dbraw/zinc/83/97/67/532839767.db2.gz HQDRKZNPVOSVGF-UHFFFAOYSA-N 0 0 375.447 2.251 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000331455067 532840419 /nfs/dbraw/zinc/84/04/19/532840419.db2.gz GDTDWCQQZKZFIZ-PWZJLYFZSA-N 0 0 396.241 2.405 20 5 GEBDRN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000288855811 532840420 /nfs/dbraw/zinc/84/04/20/532840420.db2.gz AMZYPUMESFLYGQ-SNVBAGLBSA-N 0 0 389.279 2.327 20 5 GEBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000359960933 203806647 /nfs/dbraw/zinc/80/66/47/203806647.db2.gz QGPQDRUDLGVZBS-IBGZPJMESA-N 0 0 396.378 2.457 20 5 GEBDRN CCN(CCCNc1ccc(Br)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000038035980 204787610 /nfs/dbraw/zinc/78/76/10/204787610.db2.gz DORAJXPQFVJRJA-UHFFFAOYSA-N 0 0 380.264 2.441 20 5 GEBDRN COCCCN(CCOC)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000071970301 205030724 /nfs/dbraw/zinc/03/07/24/205030724.db2.gz QILDREBGWQFOMF-UHFFFAOYSA-N 0 0 375.219 2.482 20 5 GEBDRN Cc1cccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1[N+](=O)[O-] ZINC000039539547 205043134 /nfs/dbraw/zinc/04/31/34/205043134.db2.gz OUOAGLRZBJGLBO-UHFFFAOYSA-N 0 0 377.422 2.084 20 5 GEBDRN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000331602706 532841807 /nfs/dbraw/zinc/84/18/07/532841807.db2.gz ZHPDICKORIDOAM-YDEJPDAXSA-N 0 0 382.214 2.096 20 5 GEBDRN CC(C)(CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O ZINC000072011288 205303908 /nfs/dbraw/zinc/30/39/08/205303908.db2.gz RSRHFQRRHMBZQY-UHFFFAOYSA-N 0 0 376.335 2.043 20 5 GEBDRN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000331602693 532841880 /nfs/dbraw/zinc/84/18/80/532841880.db2.gz ZHPDICKORIDOAM-DYLAAIIWSA-N 0 0 382.214 2.096 20 5 GEBDRN Cc1nn(CCc2nc(Cn3cc(Br)cn3)no2)c(C)c1[N+](=O)[O-] ZINC000274185131 532843362 /nfs/dbraw/zinc/84/33/62/532843362.db2.gz PYCZZEAWRXCLPP-UHFFFAOYSA-N 0 0 396.205 2.041 20 5 GEBDRN O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000274248521 532845923 /nfs/dbraw/zinc/84/59/23/532845923.db2.gz RWWPQZGRQYOLFB-GFCCVEGCSA-N 0 0 397.229 2.033 20 5 GEBDRN Cc1n[nH]c(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1[N+](=O)[O-] ZINC000331916396 532846650 /nfs/dbraw/zinc/84/66/50/532846650.db2.gz LLTIHJVJCRXOOO-UHFFFAOYSA-N 0 0 383.206 2.063 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2cn3c(n2)SCC3)cc1C ZINC000274274211 532846773 /nfs/dbraw/zinc/84/67/73/532846773.db2.gz SCLJLXAHBAGLPP-UHFFFAOYSA-N 0 0 382.467 2.035 20 5 GEBDRN CC1(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[S@@]1=O ZINC000332258367 532850845 /nfs/dbraw/zinc/85/08/45/532850845.db2.gz ZWDLNOQAFIITNI-QFIPXVFZSA-N 0 0 380.875 2.170 20 5 GEBDRN CC1(C)CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[S@@]1=O ZINC000332255078 532850951 /nfs/dbraw/zinc/85/09/51/532850951.db2.gz ZGILUYYWOSRGII-QFIPXVFZSA-N 0 0 380.875 2.170 20 5 GEBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000289446949 532855170 /nfs/dbraw/zinc/85/51/70/532855170.db2.gz FPOJGIYPDJXOEI-OUAUKWLOSA-N 0 0 389.861 2.083 20 5 GEBDRN COc1c(F)cc(S(=O)(=O)NCC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000275030649 532861736 /nfs/dbraw/zinc/86/17/36/532861736.db2.gz ADHGZCIESFOHNT-QWRGUYRKSA-N 0 0 376.406 2.226 20 5 GEBDRN COC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@H](C)O1 ZINC000289683234 532862871 /nfs/dbraw/zinc/86/28/71/532862871.db2.gz CRFGRCTZVXUTLZ-IUCAKERBSA-N 0 0 399.252 2.326 20 5 GEBDRN COc1c(F)cc(S(=O)(=O)N2CCOC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000275075133 532863310 /nfs/dbraw/zinc/86/33/10/532863310.db2.gz LRRJUMMXSUZQDP-NSHDSACASA-N 0 0 376.406 2.178 20 5 GEBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@H](CO)C2)c1 ZINC000289768914 532864312 /nfs/dbraw/zinc/86/43/12/532864312.db2.gz KEYLYJRWGLRNPK-JTQLQIEISA-N 0 0 376.194 2.404 20 5 GEBDRN O=C(C[C@@H]1CCCC(=O)N1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000289767138 532864581 /nfs/dbraw/zinc/86/45/81/532864581.db2.gz QYXUYLFPNDLGCT-JTQLQIEISA-N 0 0 396.241 2.301 20 5 GEBDRN C[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](C)S(C)(=O)=O ZINC000416218501 532867384 /nfs/dbraw/zinc/86/73/84/532867384.db2.gz FLFRALNQWSNTOS-DTWKUNHWSA-N 0 0 382.360 2.299 20 5 GEBDRN CNC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000289995696 532869469 /nfs/dbraw/zinc/86/94/69/532869469.db2.gz WEOYFEIWRFDUQB-ZDUSSCGKSA-N 0 0 396.252 2.048 20 5 GEBDRN CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000289995694 532869520 /nfs/dbraw/zinc/86/95/20/532869520.db2.gz WEOYFEIWRFDUQB-CYBMUJFWSA-N 0 0 396.252 2.048 20 5 GEBDRN CCN1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416383708 532873929 /nfs/dbraw/zinc/87/39/29/532873929.db2.gz GUYFBKLKDOVZST-UHFFFAOYSA-N 0 0 381.376 2.330 20 5 GEBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(F)(F)[C@@H](C)C1 ZINC000290166441 532874013 /nfs/dbraw/zinc/87/40/13/532874013.db2.gz JXCGOAIYEWBWKM-VIFPVBQESA-N 0 0 378.353 2.047 20 5 GEBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCO[C@H]2CCC[C@@H]21 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GEBDRN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000371012216 532946484 /nfs/dbraw/zinc/94/64/84/532946484.db2.gz ZHZZBSUIPCXGBC-CYBMUJFWSA-N 0 0 381.797 2.244 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ncccc3C2)cc1Br ZINC000371005307 532946515 /nfs/dbraw/zinc/94/65/15/532946515.db2.gz ATVFTPNRENKFGN-UHFFFAOYSA-N 0 0 398.238 2.499 20 5 GEBDRN C[C@H]1COCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000371322235 532947474 /nfs/dbraw/zinc/94/74/74/532947474.db2.gz DXLBBWQIWDJMKH-SECBINFHSA-N 0 0 390.177 2.308 20 5 GEBDRN C[C@@H]1COCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000371322237 532947487 /nfs/dbraw/zinc/94/74/87/532947487.db2.gz DXLBBWQIWDJMKH-VIFPVBQESA-N 0 0 390.177 2.308 20 5 GEBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])N1CCOC[C@H]1C1CC1 ZINC000371368119 532947781 /nfs/dbraw/zinc/94/77/81/532947781.db2.gz FLPUWZZJLPXHFR-ZDUSSCGKSA-N 0 0 385.214 2.374 20 5 GEBDRN C[C@H](COc1cccc(-c2nn[nH]n2)c1)OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000736037351 598889014 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0 0 386.393 2.087 20 5 GEBDRN O=[N+]([O-])c1cnc(NC[C@@H](O)c2c(F)cccc2Cl)c(-c2nn[nH]n2)c1 ZINC000738368646 599044783 /nfs/dbraw/zinc/04/47/83/599044783.db2.gz HBFDWHARLBDNSV-LLVKDONJSA-N 0 0 379.739 2.108 20 5 GEBDRN CCc1ccc(OS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000736691576 599085232 /nfs/dbraw/zinc/08/52/32/599085232.db2.gz PRABVRQAJGMTGR-UHFFFAOYSA-N 0 0 375.366 2.105 20 5 GEBDRN CCc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cc1 ZINC000821486398 599098089 /nfs/dbraw/zinc/09/80/89/599098089.db2.gz FOPIYXLRGHGOOH-UHFFFAOYSA-N 0 0 380.412 2.059 20 5 GEBDRN COc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000737052437 599164263 /nfs/dbraw/zinc/16/42/63/599164263.db2.gz SVUHZBPRLYBUQA-UHFFFAOYSA-N 0 0 395.335 2.413 20 5 GEBDRN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccccc3)cc(-c3nn[nH]n3)c2c1 ZINC000738367945 599256092 /nfs/dbraw/zinc/25/60/92/599256092.db2.gz XKNAJXQBTZHFCY-MRXNPFEDSA-N 0 0 377.364 2.469 20 5 GEBDRN Cc1c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[nH]n1 ZINC000822096064 607284774 /nfs/dbraw/zinc/28/47/74/607284774.db2.gz JOVHPEMUVRMEIG-UHFFFAOYSA-N 0 0 383.368 2.284 20 5 GEBDRN CC(C)(NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000819987778 607302209 /nfs/dbraw/zinc/30/22/09/607302209.db2.gz LJBHCIRZZFJLMM-UHFFFAOYSA-N 0 0 387.787 2.488 20 5 GEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1cccc(-c2nn[nH]n2)c1 ZINC000738368211 598261723 /nfs/dbraw/zinc/26/17/23/598261723.db2.gz AQLWGDJSCNVWDA-UHFFFAOYSA-N 0 0 381.757 2.196 20 5 GEBDRN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135197 598274661 /nfs/dbraw/zinc/27/46/61/598274661.db2.gz NWTABMMHTYPWDX-NSHDSACASA-N 0 0 382.380 2.492 20 5 GEBDRN COc1cc(C(=O)OCCOc2cccc(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000737042126 598289513 /nfs/dbraw/zinc/28/95/13/598289513.db2.gz OAPGSQZSJJOWCZ-UHFFFAOYSA-N 0 0 385.336 2.019 20 5 GEBDRN COc1cc(CNCc2ccc(-c3nn[nH]n3)cc2F)c([N+](=O)[O-])cc1OC ZINC000737045819 598314371 /nfs/dbraw/zinc/31/43/71/598314371.db2.gz OJVFSGIQJQWATQ-UHFFFAOYSA-N 0 0 388.359 2.221 20 5 GEBDRN O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000738359665 598370381 /nfs/dbraw/zinc/37/03/81/598370381.db2.gz LLPBFJVIVXHQDW-UHFFFAOYSA-N 0 0 399.747 2.335 20 5 GEBDRN O=[N+]([O-])c1ccc(-c2ncn(CCOc3cccc(-c4nn[nH]n4)c3)n2)cc1 ZINC000738358972 598379341 /nfs/dbraw/zinc/37/93/41/598379341.db2.gz HDDMBDWJKUDQES-UHFFFAOYSA-N 0 0 378.352 2.112 20 5 GEBDRN Cc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000737222203 598395420 /nfs/dbraw/zinc/39/54/20/598395420.db2.gz UZINHDGHLKJJTE-UHFFFAOYSA-N 0 0 380.364 2.051 20 5 GEBDRN CC[C@@H](C)NC(=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736328635 598498531 /nfs/dbraw/zinc/49/85/31/598498531.db2.gz XMKPRYNDAKUSIC-SNVBAGLBSA-N 0 0 382.384 2.442 20 5 GEBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccc2c(c1)CC(=O)N2C ZINC000736137546 598612631 /nfs/dbraw/zinc/61/26/31/598612631.db2.gz KRPMZEXJHMTVAI-JTQLQIEISA-N 0 0 379.380 2.467 20 5 GEBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC000736173412 598657604 /nfs/dbraw/zinc/65/76/04/598657604.db2.gz HBXOQDXQFVMEQR-MRVPVSSYSA-N 0 0 389.759 2.229 20 5 GEBDRN CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736786745 598799333 /nfs/dbraw/zinc/79/93/33/598799333.db2.gz CYJAFAUFIAYTPE-UHFFFAOYSA-N 0 0 389.322 2.128 20 5 GEBDRN Cn1cc([C@@H]2CCN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)C2)cn1 ZINC000737602108 599297273 /nfs/dbraw/zinc/29/72/73/599297273.db2.gz DVDUDRHQXSAMKA-LLVKDONJSA-N 0 0 391.395 2.051 20 5 GEBDRN Cc1cc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000822212015 599323906 /nfs/dbraw/zinc/32/39/06/599323906.db2.gz YUEKZHZSWOOWBY-LLVKDONJSA-N 0 0 388.409 2.123 20 5 GEBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822130254 599325893 /nfs/dbraw/zinc/32/58/93/599325893.db2.gz RVIWWNHCQMJKEZ-LLVKDONJSA-N 0 0 388.409 2.123 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822270842 599326079 /nfs/dbraw/zinc/32/60/79/599326079.db2.gz ADQHHNBQXSNLGZ-NSHDSACASA-N 0 0 388.409 2.123 20 5 GEBDRN O=C(COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[nH]n2)c1 ZINC000826415590 607370915 /nfs/dbraw/zinc/37/09/15/607370915.db2.gz KZVHJCNTZNJBAK-UHFFFAOYSA-N 0 0 392.331 2.296 20 5 GEBDRN O=[N+]([O-])c1ccc2nc(N3CCC4(C3)CCOCC4)cc(-c3nn[nH]n3)c2c1 ZINC000823645926 599359051 /nfs/dbraw/zinc/35/90/51/599359051.db2.gz WNAVZNMLWLGUPG-UHFFFAOYSA-N 0 0 381.396 2.330 20 5 GEBDRN CC(=O)N(Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1)C1CC1 ZINC000735460587 599442193 /nfs/dbraw/zinc/44/21/93/599442193.db2.gz KDJVKDKAHJQOKA-UHFFFAOYSA-N 0 0 394.395 2.424 20 5 GEBDRN O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nn[nH]n3)cn2)cc1OC(F)F ZINC000823639454 599472403 /nfs/dbraw/zinc/47/24/03/599472403.db2.gz AOFYQPRKUUOWKY-UHFFFAOYSA-N 0 0 392.326 2.295 20 5 GEBDRN COc1ccc(CNc2c(-c3nn[nH]n3)cnc3ccccc32)cc1[N+](=O)[O-] ZINC000821821740 599488361 /nfs/dbraw/zinc/48/83/61/599488361.db2.gz UPAJLMSUJYFMGZ-UHFFFAOYSA-N 0 0 377.364 2.366 20 5 GEBDRN O=[N+]([O-])c1ccc2nc(N3CCC(c4cc[nH]n4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823643741 599513340 /nfs/dbraw/zinc/51/33/40/599513340.db2.gz AGMNAYIULKFNDP-UHFFFAOYSA-N 0 0 391.395 2.430 20 5 GEBDRN Cn1cc(CCCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822679917 599519913 /nfs/dbraw/zinc/51/99/13/599519913.db2.gz KFGJUXXDGCMDOQ-UHFFFAOYSA-N 0 0 379.384 2.101 20 5 GEBDRN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[nH]n2)c1 ZINC000820403800 599526197 /nfs/dbraw/zinc/52/61/97/599526197.db2.gz MUECTFGKDOMAFS-SECBINFHSA-N 0 0 378.352 2.142 20 5 GEBDRN O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000738269646 599534536 /nfs/dbraw/zinc/53/45/36/599534536.db2.gz WGFWSFHIPHQVHN-LBPRGKRZSA-N 0 0 397.370 2.408 20 5 GEBDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000826251194 607382762 /nfs/dbraw/zinc/38/27/62/607382762.db2.gz IHHLIQPVMPOXBW-LLVKDONJSA-N 0 0 396.363 2.267 20 5 GEBDRN Cc1nccn1CCCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822477958 599577472 /nfs/dbraw/zinc/57/74/72/599577472.db2.gz NPSBWESTLYMJLV-UHFFFAOYSA-N 0 0 379.384 2.330 20 5 GEBDRN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000740098673 599706986 /nfs/dbraw/zinc/70/69/86/599706986.db2.gz XKKHBZJQFPBUGE-ZDUSSCGKSA-N 0 0 394.384 2.257 20 5 GEBDRN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737346844 599708692 /nfs/dbraw/zinc/70/86/92/599708692.db2.gz DHGYJBFCRUZGNF-GQSKFBFOSA-N 0 0 390.440 2.047 20 5 GEBDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000821741546 607416959 /nfs/dbraw/zinc/41/69/59/607416959.db2.gz OFFBTFJJWRJZEO-UHFFFAOYSA-N 0 0 399.363 2.078 20 5 GEBDRN C[C@@H](NC(=O)c1ccc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658180 600075004 /nfs/dbraw/zinc/07/50/04/600075004.db2.gz ZTBNHFWUPDSDET-GFCCVEGCSA-N 0 0 378.429 2.084 20 5 GEBDRN CC(C)c1n[nH]c(C(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1[N+](=O)[O-] ZINC000824342227 607419213 /nfs/dbraw/zinc/41/92/13/607419213.db2.gz NNBROCJMGCHDTK-UHFFFAOYSA-N 0 0 382.384 2.041 20 5 GEBDRN CCOCC[N@@H+]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CC ZINC000737177921 600259785 /nfs/dbraw/zinc/25/97/85/600259785.db2.gz WLJRZRXXPHDDNA-LBPRGKRZSA-N 0 0 396.400 2.138 20 5 GEBDRN COc1ccc(NC(=O)CC[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000738027859 600303186 /nfs/dbraw/zinc/30/31/86/600303186.db2.gz ICLSFNNVNZGLKW-CYBMUJFWSA-N 0 0 377.397 2.119 20 5 GEBDRN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736754738 600431872 /nfs/dbraw/zinc/43/18/72/600431872.db2.gz FTYVCSFKORMQBF-HZSPNIEDSA-N 0 0 392.456 2.188 20 5 GEBDRN O=C(C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1)N1CCCCC1 ZINC000826398661 607450526 /nfs/dbraw/zinc/45/05/26/607450526.db2.gz BGMQBYSWSCOESK-UHFFFAOYSA-N 0 0 385.428 2.004 20 5 GEBDRN O=[N+]([O-])c1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)cc1-c1nn[nH]n1 ZINC000826498706 607454216 /nfs/dbraw/zinc/45/42/16/607454216.db2.gz GFFPFRYHIGUICX-HNNXBMFYSA-N 0 0 388.428 2.329 20 5 GEBDRN CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000737168693 600610985 /nfs/dbraw/zinc/61/09/85/600610985.db2.gz VSOMFHMVLFHZSF-GUYCJALGSA-N 0 0 393.440 2.160 20 5 GEBDRN CCC1CCC([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)(C(=O)[O-])CC1 ZINC000829101800 601495839 /nfs/dbraw/zinc/49/58/39/601495839.db2.gz XUEMZEFZUMNWER-UHFFFAOYSA-N 0 0 375.425 2.497 20 5 GEBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1Cc2ccccc2O1 ZINC000826450780 607523512 /nfs/dbraw/zinc/52/35/12/607523512.db2.gz DCBVINQPIOHRMN-ZDUSSCGKSA-N 0 0 386.755 2.371 20 5 GEBDRN O=C([O-])[C@]1(NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC000833128453 601741629 /nfs/dbraw/zinc/74/16/29/601741629.db2.gz GSAGPTXUUKQYGO-FQEVSTJZSA-N 0 0 383.404 2.444 20 5 GEBDRN O=C([O-])c1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000833296082 602389090 /nfs/dbraw/zinc/38/90/90/602389090.db2.gz PHMFHPQWLSEMBH-KRWDZBQOSA-N 0 0 391.424 2.010 20 5 GEBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)c(Cl)c1 ZINC000826499824 607573132 /nfs/dbraw/zinc/57/31/32/607573132.db2.gz ZEFVTWYXSGGTGP-UHFFFAOYSA-N 0 0 399.747 2.335 20 5 GEBDRN COc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826201158 607583405 /nfs/dbraw/zinc/58/34/05/607583405.db2.gz BTKRPDUPYLTPRH-UHFFFAOYSA-N 0 0 388.771 2.367 20 5 GEBDRN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1-c1nn[nH]n1 ZINC000826200765 607584898 /nfs/dbraw/zinc/58/48/98/607584898.db2.gz HWBIEUHNYLICJR-UHFFFAOYSA-N 0 0 388.771 2.367 20 5 GEBDRN CCc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000825717183 607616721 /nfs/dbraw/zinc/61/67/21/607616721.db2.gz ILUYZMARTPVSLD-UHFFFAOYSA-N 0 0 389.393 2.413 20 5 GEBDRN O=C(CNc1ccc(-c2nn[nH]n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826413127 607630164 /nfs/dbraw/zinc/63/01/64/607630164.db2.gz SDQADJGHWITGNF-UHFFFAOYSA-N 0 0 393.407 2.378 20 5 GEBDRN C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCC(NC(=O)[O-])CC1 ZINC000828305210 603838840 /nfs/dbraw/zinc/83/88/40/603838840.db2.gz FTNPYGDCLIVEDS-UHFFFAOYSA-N 0 0 392.412 2.403 20 5 GEBDRN Cn1cc(C[N@@H+]2CCCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000833046826 604264009 /nfs/dbraw/zinc/26/40/09/604264009.db2.gz VHQBJNGKEVLWEB-UHFFFAOYSA-N 0 0 393.831 2.392 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(CCO)C1CCOCC1 ZINC000444279395 649944774 /nfs/dbraw/zinc/94/47/74/649944774.db2.gz WAXRXUSJGSMPKT-UHFFFAOYSA-N 0 0 399.252 2.064 20 5 GEBDRN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000833627084 605053236 /nfs/dbraw/zinc/05/32/36/605053236.db2.gz TVOMLRQIIUJZCA-HNNXBMFYSA-N 0 0 392.456 2.108 20 5 GEBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2cc(Cl)ccc2-c2nn[nH]n2)c1 ZINC000826499470 607742899 /nfs/dbraw/zinc/74/28/99/607742899.db2.gz JXKZKYXLHPWPIK-UHFFFAOYSA-N 0 0 395.784 2.337 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833907859 605777073 /nfs/dbraw/zinc/77/70/73/605777073.db2.gz VYRBMVAVZXIGFX-OAHLLOKOSA-N 0 0 376.413 2.449 20 5 GEBDRN COC(=O)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000821640260 606301098 /nfs/dbraw/zinc/30/10/98/606301098.db2.gz DWCAGIWHOOVRSI-BDJLRTHQSA-N 0 0 382.380 2.340 20 5 GEBDRN COC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc([N+](=O)[O-])c1 ZINC000821666731 606351661 /nfs/dbraw/zinc/35/16/61/606351661.db2.gz BMCYQCVJFPTILJ-JTQLQIEISA-N 0 0 397.347 2.480 20 5 GEBDRN NC(=O)C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000822874228 606429526 /nfs/dbraw/zinc/42/95/26/606429526.db2.gz VNJPNXWUKWKRTP-CYBMUJFWSA-N 0 0 387.787 2.457 20 5 GEBDRN Cn1c(CCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)nc2ccccc21 ZINC000822596168 606433051 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395.423 2.219 20 5 GEBDRN COCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000821688271 606682764 /nfs/dbraw/zinc/68/27/64/606682764.db2.gz DYXAQNNHORYPRY-UHFFFAOYSA-N 0 0 396.407 2.387 20 5 GEBDRN Cc1nc(N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000822449521 606698116 /nfs/dbraw/zinc/69/81/16/606698116.db2.gz CEQXNKNYBIBFPR-UHFFFAOYSA-N 0 0 380.412 2.195 20 5 GEBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCNc1ncc(Cl)cc1Cl ZINC000823624735 606698477 /nfs/dbraw/zinc/69/84/77/606698477.db2.gz HUWOZZHCXWDYQJ-UHFFFAOYSA-N 0 0 396.198 2.396 20 5 GEBDRN CN(C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000821581776 606710444 /nfs/dbraw/zinc/71/04/44/606710444.db2.gz UTRSALZRILTCSM-GFCCVEGCSA-N 0 0 390.354 2.163 20 5 GEBDRN Cc1noc(COc2ccc(Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])cc2)n1 ZINC000822528047 606711175 /nfs/dbraw/zinc/71/11/75/606711175.db2.gz QJBIBGSRRJLUNL-UHFFFAOYSA-N 0 0 395.339 2.184 20 5 GEBDRN O=C(COC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000823022789 606757685 /nfs/dbraw/zinc/75/76/85/606757685.db2.gz OUTQMZDPLAZBMT-UHFFFAOYSA-N 0 0 389.274 2.093 20 5 GEBDRN COc1ccccc1N1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1=O ZINC000821898559 606809228 /nfs/dbraw/zinc/80/92/28/606809228.db2.gz QDAYSXUXBCQULU-ZDUSSCGKSA-N 0 0 395.379 2.001 20 5 GEBDRN COc1cc(-c2nn[nH]n2)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821699353 606809793 /nfs/dbraw/zinc/80/97/93/606809793.db2.gz NEEXSYVWENKWDW-UHFFFAOYSA-N 0 0 376.716 2.051 20 5 GEBDRN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000820549964 606823199 /nfs/dbraw/zinc/82/31/99/606823199.db2.gz UCSAKTVTFDNOCK-LBPRGKRZSA-N 0 0 383.364 2.328 20 5 GEBDRN O=[N+]([O-])c1nn(CCCOc2cccc(-c3nn[nH]n3)c2)cc1Br ZINC000823652285 606867921 /nfs/dbraw/zinc/86/79/21/606867921.db2.gz YSZMQZQNVXORBB-UHFFFAOYSA-N 0 0 394.189 2.203 20 5 GEBDRN Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c(O[C@H]2CCOC2)c1 ZINC000822238409 606947854 /nfs/dbraw/zinc/94/78/54/606947854.db2.gz GQNYUGOAMLCFHC-AWEZNQCLSA-N 0 0 397.395 2.258 20 5 GEBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822203171 607018641 /nfs/dbraw/zinc/01/86/41/607018641.db2.gz HUVVVCVQBPWYOS-UHFFFAOYSA-N 0 0 378.345 2.023 20 5 GEBDRN O=[N+]([O-])c1ccc2nc(N3CC[C@]4(O)CCCC[C@@H]4C3)cc(-c3nn[nH]n3)c2c1 ZINC000823644615 607032720 /nfs/dbraw/zinc/03/27/20/607032720.db2.gz JMCGWXJZIYFAHL-CWTRNNRKSA-N 0 0 395.423 2.455 20 5 GEBDRN Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000822458562 607040002 /nfs/dbraw/zinc/04/00/02/607040002.db2.gz DRDYDNADDQWEET-UHFFFAOYSA-N 0 0 382.153 2.230 20 5 GEBDRN CC1(C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1O ZINC000446071597 649970366 /nfs/dbraw/zinc/97/03/66/649970366.db2.gz MXDLWEIQQQXXNX-CYBMUJFWSA-N 0 0 386.246 2.389 20 5 GEBDRN O=C(Cc1ccc(-c2nn[nH]n2)cc1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000823077987 607133900 /nfs/dbraw/zinc/13/39/00/607133900.db2.gz CYZMGMMHTODJOD-CABCVRRESA-N 0 0 397.395 2.241 20 5 GEBDRN O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823392760 607134259 /nfs/dbraw/zinc/13/42/59/607134259.db2.gz TXQZFAXKZUMNKE-ZIAGYGMSSA-N 0 0 383.368 2.312 20 5 GEBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCN(C/C=C\c2ccccc2)CC1 ZINC000823620508 607161194 /nfs/dbraw/zinc/16/11/94/607161194.db2.gz MJGORNWMDBGJMT-DAXSKMNVSA-N 0 0 392.423 2.005 20 5 GEBDRN COc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821846711 607164867 /nfs/dbraw/zinc/16/48/67/607164867.db2.gz YEJNEDOZCQVUEN-UHFFFAOYSA-N 0 0 394.351 2.446 20 5 GEBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccc(Cn2cccn2)cc1 ZINC000823625152 607166698 /nfs/dbraw/zinc/16/66/98/607166698.db2.gz RCIBDJFHGFAEAT-UHFFFAOYSA-N 0 0 377.368 2.027 20 5 GEBDRN C[C@@H](CC(=O)OCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824391835 607811003 /nfs/dbraw/zinc/81/10/03/607811003.db2.gz LCAAXGKHUHVQIE-NSHDSACASA-N 0 0 383.368 2.104 20 5 GEBDRN Cc1ccc(OS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000826292152 607866705 /nfs/dbraw/zinc/86/67/05/607866705.db2.gz KHDHFALWDCEHIR-UHFFFAOYSA-N 0 0 397.319 2.129 20 5 GEBDRN Cc1cc(C)c(OC[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000826263466 607872689 /nfs/dbraw/zinc/87/26/89/607872689.db2.gz CGZJWENUQKGQIH-AWEZNQCLSA-N 0 0 385.380 2.210 20 5 GEBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000131993668 607970220 /nfs/dbraw/zinc/97/02/20/607970220.db2.gz QXPMHQNZOWLUGW-UHFFFAOYSA-N 0 0 377.364 2.115 20 5 GEBDRN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000825971540 607970540 /nfs/dbraw/zinc/97/05/40/607970540.db2.gz KSJJEEMXDHABGD-UHFFFAOYSA-N 0 0 391.391 2.457 20 5 GEBDRN O=C(CSc1ccc(-c2nn[nH]n2)cc1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826421040 608003497 /nfs/dbraw/zinc/00/34/97/608003497.db2.gz ONFXOSOHQOSSPI-UHFFFAOYSA-N 0 0 396.392 2.382 20 5 GEBDRN Cn1cc(-c2nn[nH]n2)cc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826358411 608029282 /nfs/dbraw/zinc/02/92/82/608029282.db2.gz SHCFFFAJFOOZCL-UHFFFAOYSA-N 0 0 395.335 2.125 20 5 GEBDRN Cc1cc(C(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826258359 608082017 /nfs/dbraw/zinc/08/20/17/608082017.db2.gz IRZNIEMWOSUIKB-KRWDZBQOSA-N 0 0 394.391 2.297 20 5 GEBDRN Cc1cc([C@@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CCO2)ccc1F ZINC000826266466 608154040 /nfs/dbraw/zinc/15/40/40/608154040.db2.gz PRENOMYIOBAFTD-AWEZNQCLSA-N 0 0 385.359 2.195 20 5 GEBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1ccnc(C2CC2)n1 ZINC000826450787 608162099 /nfs/dbraw/zinc/16/20/99/608162099.db2.gz DHJFESFMYVTXJH-UHFFFAOYSA-N 0 0 386.759 2.348 20 5 GEBDRN Cn1cc(C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)c(C(F)F)n1 ZINC000826358707 608163386 /nfs/dbraw/zinc/16/33/86/608163386.db2.gz FDKLIRNWKNUDSC-UHFFFAOYSA-N 0 0 398.717 2.352 20 5 GEBDRN Cc1nn2cccnc2c1C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826335105 608163779 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GEBDRN CC(C)CN(C(=O)CSc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000509084564 650486381 /nfs/dbraw/zinc/48/63/81/650486381.db2.gz RFZQYPKBNABYMT-AWEZNQCLSA-N 0 0 386.495 2.359 20 5 GEBDRN CCOC(=O)c1cc(S(=O)(=O)NCCC(F)(F)F)cc([N+](=O)[O-])c1C ZINC000462674257 650488198 /nfs/dbraw/zinc/48/81/98/650488198.db2.gz HFKMVWZNYHFIJY-UHFFFAOYSA-N 0 0 384.332 2.311 20 5 GEBDRN COCCO[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000509317221 650493003 /nfs/dbraw/zinc/49/30/03/650493003.db2.gz ORBZHLBJJOMQOB-GFCCVEGCSA-N 0 0 378.834 2.064 20 5 GEBDRN COC(=O)C1(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000467059378 650502022 /nfs/dbraw/zinc/50/20/22/650502022.db2.gz UDNYWGPFHMXPMN-UHFFFAOYSA-N 0 0 376.456 2.461 20 5 GEBDRN COC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467059527 650502056 /nfs/dbraw/zinc/50/20/56/650502056.db2.gz LVKWSIPIJNHCGI-CQSZACIVSA-N 0 0 384.435 2.500 20 5 GEBDRN C[C@H]1CSC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000510505654 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COCCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826161672 608139147 /nfs/dbraw/zinc/13/91/47/608139147.db2.gz UEIYWHBGJWUTSO-UHFFFAOYSA-N 0 0 398.379 2.361 20 5 GEBDRN O=C(NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000826441307 608328398 /nfs/dbraw/zinc/32/83/98/608328398.db2.gz YDKNTECGTUFNDH-UHFFFAOYSA-N 0 0 390.363 2.095 20 5 GEBDRN COc1cc(-c2nn[nH]n2)ccc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826169920 608353397 /nfs/dbraw/zinc/35/33/97/608353397.db2.gz JTXKRZOSMFQTEN-UHFFFAOYSA-N 0 0 395.423 2.106 20 5 GEBDRN COC(=O)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000826112063 608392342 /nfs/dbraw/zinc/39/23/42/608392342.db2.gz RLYHAFRAQNLCOR-BZNIZROVSA-N 0 0 382.380 2.340 20 5 GEBDRN COC(=O)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000826112392 608392883 /nfs/dbraw/zinc/39/28/83/608392883.db2.gz ZHAZHYQZXSGDJJ-MEDUHNTESA-N 0 0 382.380 2.340 20 5 GEBDRN C[C@@H](NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824499932 608417860 /nfs/dbraw/zinc/41/78/60/608417860.db2.gz SWLRPJGGMHNACY-GFCCVEGCSA-N 0 0 397.395 2.214 20 5 GEBDRN C[C@@H](NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824497977 608424702 /nfs/dbraw/zinc/42/47/02/608424702.db2.gz BCGYUURORKIFCN-SNVBAGLBSA-N 0 0 385.359 2.474 20 5 GEBDRN CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000824255596 609355545 /nfs/dbraw/zinc/35/55/45/609355545.db2.gz PHMLBNGOEDYHPK-UHFFFAOYSA-N 0 0 396.411 2.282 20 5 GEBDRN CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000825958080 609368894 /nfs/dbraw/zinc/36/88/94/609368894.db2.gz MYKAEGMOUZZQIR-UHFFFAOYSA-N 0 0 396.392 2.052 20 5 GEBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1sccc1-c1nn[nH]n1 ZINC000826408674 609372204 /nfs/dbraw/zinc/37/22/04/609372204.db2.gz QRTPIRBJNMVIDI-UHFFFAOYSA-N 0 0 389.353 2.316 20 5 GEBDRN COc1cc(COC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826180263 609465013 /nfs/dbraw/zinc/46/50/13/609465013.db2.gz ZSJGXCNOAUNRAM-NSHDSACASA-N 0 0 399.363 2.294 20 5 GEBDRN NC(=O)c1cc(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])on1 ZINC000446862818 649989802 /nfs/dbraw/zinc/98/98/02/649989802.db2.gz SDXARPYVLPWRSQ-UHFFFAOYSA-N 0 0 392.169 2.026 20 5 GEBDRN CC1(C)CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCS1(=O)=O ZINC000450096432 650059938 /nfs/dbraw/zinc/05/99/38/650059938.db2.gz IEEHPJLGVCDNSZ-UHFFFAOYSA-N 0 0 380.344 2.263 20 5 GEBDRN Cn1nccc1[C@H]1C[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000450845523 650072405 /nfs/dbraw/zinc/07/24/05/650072405.db2.gz RLZRJFYBHIDOJB-NOZJJQNGSA-N 0 0 382.218 2.240 20 5 GEBDRN O=[N+]([O-])c1ccc(OC2CN(S(=O)(=O)C[C@H]3CCCC3(F)F)C2)cc1 ZINC000451446459 650114969 /nfs/dbraw/zinc/11/49/69/650114969.db2.gz PNOQILBGUAINPF-LLVKDONJSA-N 0 0 376.381 2.423 20 5 GEBDRN COc1ccc(Br)c([C@@H](CO)N(C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000451463013 650117358 /nfs/dbraw/zinc/11/73/58/650117358.db2.gz SEVCCSZBWGOIRB-CQSZACIVSA-N 0 0 399.245 2.265 20 5 GEBDRN COC(=O)[C@@H](CC(C)C)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451724351 650135854 /nfs/dbraw/zinc/13/58/54/650135854.db2.gz LAZDIXSSTQZIKG-GFCCVEGCSA-N 0 0 378.834 2.456 20 5 GEBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC1(F)F ZINC000451824493 650145414 /nfs/dbraw/zinc/14/54/14/650145414.db2.gz PBHYXYBZQCPYLW-VIFPVBQESA-N 0 0 378.353 2.095 20 5 GEBDRN CC[C@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H](C)O ZINC000451882977 650149853 /nfs/dbraw/zinc/14/98/53/650149853.db2.gz ATODSWAIVVCOTP-KWQFWETISA-N 0 0 381.248 2.103 20 5 GEBDRN CN(C1CCN(CC(F)(F)F)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452093844 650172798 /nfs/dbraw/zinc/17/27/98/650172798.db2.gz JHJPYJOLVMETQT-UHFFFAOYSA-N 0 0 381.376 2.242 20 5 GEBDRN CC[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000452945949 650201361 /nfs/dbraw/zinc/20/13/61/650201361.db2.gz UOKDIKJTDFXCGP-QMTHXVAHSA-N 0 0 378.397 2.357 20 5 GEBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000453028983 650204299 /nfs/dbraw/zinc/20/42/99/650204299.db2.gz RAFDPCSNPORRAK-JVLSTEMRSA-N 0 0 399.241 2.359 20 5 GEBDRN CCn1nnc(C)c1CS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000453036357 650204919 /nfs/dbraw/zinc/20/49/19/650204919.db2.gz YGICMOGQDMWEEN-UHFFFAOYSA-N 0 0 389.231 2.251 20 5 GEBDRN CS[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000453857568 650231462 /nfs/dbraw/zinc/23/14/62/650231462.db2.gz MLXNLFGGOVOQQK-LLVKDONJSA-N 0 0 388.243 2.260 20 5 GEBDRN CC[C@](C)(CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)OC ZINC000453872123 650233017 /nfs/dbraw/zinc/23/30/17/650233017.db2.gz ALVFFXICRFINHL-CQSZACIVSA-N 0 0 388.218 2.227 20 5 GEBDRN Cn1cc(Br)c(CNC(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000454599213 650273215 /nfs/dbraw/zinc/27/32/15/650273215.db2.gz VTHCWRRUDQYFJZ-UHFFFAOYSA-N 0 0 382.218 2.133 20 5 GEBDRN C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000456227348 650334785 /nfs/dbraw/zinc/33/47/85/650334785.db2.gz CNUKBAAGOQLMMU-TXEJJXNPSA-N 0 0 387.889 2.254 20 5 GEBDRN CC(C)c1ncsc1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000456439090 650340376 /nfs/dbraw/zinc/34/03/76/650340376.db2.gz NYSTUPQDCSIUGW-UHFFFAOYSA-N 0 0 384.439 2.092 20 5 GEBDRN CCc1[nH]nc(C(=O)Nc2cc(N(C)C)c(Br)cn2)c1[N+](=O)[O-] ZINC000456659753 650353221 /nfs/dbraw/zinc/35/32/21/650353221.db2.gz ISVMYJMHWKDXTC-UHFFFAOYSA-N 0 0 383.206 2.356 20 5 GEBDRN C[C@@H]1C[C@@H](O)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000456993228 650370071 /nfs/dbraw/zinc/37/00/71/650370071.db2.gz GIZSYJQFHOLQGT-PSASIEDQSA-N 0 0 390.177 2.042 20 5 GEBDRN O=C(NC[C@@H]1CCCS1(=O)=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501102697 650388266 /nfs/dbraw/zinc/38/82/66/650388266.db2.gz XJDSVLOEKXKZTO-NSHDSACASA-N 0 0 392.231 2.056 20 5 GEBDRN O=C(CSc1nnnn1C1CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501289956 650389351 /nfs/dbraw/zinc/38/93/51/650389351.db2.gz FGNPDXMCHRDMCA-UHFFFAOYSA-N 0 0 399.230 2.410 20 5 GEBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C2CC2)C(=O)C1 ZINC000501088303 650387868 /nfs/dbraw/zinc/38/78/68/650387868.db2.gz VZQWPIFWXBBCSL-UHFFFAOYSA-N 0 0 383.202 2.196 20 5 GEBDRN O=C(NCCCN1CCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501092487 650387908 /nfs/dbraw/zinc/38/79/08/650387908.db2.gz GLRYAGZHWUFYET-UHFFFAOYSA-N 0 0 387.234 2.201 20 5 GEBDRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000503830205 650423001 /nfs/dbraw/zinc/42/30/01/650423001.db2.gz PIOUUBWJIDRFHI-VHSXEESVSA-N 0 0 393.259 2.451 20 5 GEBDRN C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000503856218 650423499 /nfs/dbraw/zinc/42/34/99/650423499.db2.gz OANYTUXCALVQKV-VHSXEESVSA-N 0 0 393.259 2.451 20 5 GEBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000461531657 650456167 /nfs/dbraw/zinc/45/61/67/650456167.db2.gz PQWXTAKGSFEWGN-CMPLNLGQSA-N 0 0 390.845 2.051 20 5 GEBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)N(C)C ZINC000461640259 650457843 /nfs/dbraw/zinc/45/78/43/650457843.db2.gz CMQXJKGBLWJTRW-UHFFFAOYSA-N 0 0 389.499 2.108 20 5 GEBDRN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000507291345 650458521 /nfs/dbraw/zinc/45/85/21/650458521.db2.gz HVVQSKIHZLBLFF-LLVKDONJSA-N 0 0 398.144 2.461 20 5 GEBDRN C[C@H]1CSC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507649550 650466006 /nfs/dbraw/zinc/46/60/06/650466006.db2.gz UEVYZANUZWNEJI-XVKPBYJWSA-N 0 0 375.353 2.002 20 5 GEBDRN CSC1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000462399319 650477989 /nfs/dbraw/zinc/47/79/89/650477989.db2.gz VCBOIQZWDJBKJB-UHFFFAOYSA-N 0 0 380.875 2.439 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000462520525 650482890 /nfs/dbraw/zinc/48/28/90/650482890.db2.gz JCKNIFTUVICAKC-UHFFFAOYSA-N 0 0 380.253 2.370 20 5 GEBDRN CCn1cc(S(=O)(=O)NCc2ccsc2Br)c([N+](=O)[O-])n1 ZINC000509339925 650493407 /nfs/dbraw/zinc/49/34/07/650493407.db2.gz UEDNNWYPYBRNBV-UHFFFAOYSA-N 0 0 395.260 2.114 20 5 GEBDRN Cc1sc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000467047663 650501838 /nfs/dbraw/zinc/50/18/38/650501838.db2.gz QHVANMLEZCHPTM-GWCFXTLKSA-N 0 0 378.497 2.298 20 5 GEBDRN Cc1sc(S(=O)(=O)NC[C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000467061839 650501998 /nfs/dbraw/zinc/50/19/98/650501998.db2.gz XFOSGBHUUFGPDT-LBPRGKRZSA-N 0 0 388.442 2.233 20 5 GEBDRN Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000510486243 650511927 /nfs/dbraw/zinc/51/19/27/650511927.db2.gz XBYBMPARDIJVNF-ZDUSSCGKSA-N 0 0 382.360 2.371 20 5 GEBDRN Cc1c(Br)cc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000510496314 650512489 /nfs/dbraw/zinc/51/24/89/650512489.db2.gz OAPXMENSXZQGRM-LLVKDONJSA-N 0 0 384.230 2.405 20 5 GEBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC2(CO)CCCC2)c1 ZINC000472704396 650521778 /nfs/dbraw/zinc/52/17/78/650521778.db2.gz LSIONNWMTIOMTQ-UHFFFAOYSA-N 0 0 393.259 2.188 20 5 GEBDRN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000475528672 650535000 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Cc1c(Cl)cc(S(=O)(=O)N2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000271151828 646177759 /nfs/dbraw/zinc/17/77/59/646177759.db2.gz XNXRJVJVDXHHBD-UHFFFAOYSA-N 0 0 376.818 2.084 20 5 GEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H](CO)Cc2ccc(F)cc2)s1 ZINC000271249881 646184062 /nfs/dbraw/zinc/18/40/62/646184062.db2.gz JAKVNEQOEFOALK-LLVKDONJSA-N 0 0 388.442 2.462 20 5 GEBDRN Cc1nc(CS(=O)(=O)C[C@@H](O)COc2ccccc2[N+](=O)[O-])sc1C ZINC000272975158 646293153 /nfs/dbraw/zinc/29/31/53/646293153.db2.gz SJAKVMLJLIXQME-LBPRGKRZSA-N 0 0 386.451 2.023 20 5 GEBDRN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC000274953322 646336620 /nfs/dbraw/zinc/33/66/20/646336620.db2.gz VNFRWPXHGBCBAX-LLVKDONJSA-N 0 0 384.845 2.272 20 5 GEBDRN CCOCCOCCN(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000276254790 646371896 /nfs/dbraw/zinc/37/18/96/646371896.db2.gz SOIWWNNIPBOXPR-UHFFFAOYSA-N 0 0 382.385 2.080 20 5 GEBDRN Cc1cc(S(=O)(=O)NCCOCC(F)(F)C(F)F)cc([N+](=O)[O-])c1F ZINC000277469855 646426436 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Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000278288307 646510463 /nfs/dbraw/zinc/51/04/63/646510463.db2.gz BRAIEFMLAQSXRD-ZYHUDNBSSA-N 0 0 389.861 2.004 20 5 GEBDRN CS(=O)(=O)N1CCC(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278433568 646518830 /nfs/dbraw/zinc/51/88/30/646518830.db2.gz PXXLPRKDPHWWDP-UHFFFAOYSA-N 0 0 382.364 2.092 20 5 GEBDRN COCCO[C@H]1C[C@@H](CO)CN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000278458427 646521602 /nfs/dbraw/zinc/52/16/02/646521602.db2.gz MIMWIQUCYYAQPC-YPMHNXCESA-N 0 0 389.246 2.208 20 5 GEBDRN COC[C@@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCO1 ZINC000278671757 646537362 /nfs/dbraw/zinc/53/73/62/646537362.db2.gz HVKNAFDVBOVMDV-PWSUYJOCSA-N 0 0 378.834 2.029 20 5 GEBDRN COC[C@@H](C)OC[C@@H](O)COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000278795510 646550221 /nfs/dbraw/zinc/55/02/21/646550221.db2.gz YEUOKSVBIULTME-RKDXNWHRSA-N 0 0 382.182 2.288 20 5 GEBDRN CN1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C(C)(C)C1=O ZINC000278829630 646554624 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2.377 20 5 GEBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC(=O)N(C2CC2)C1 ZINC000279687874 646622822 /nfs/dbraw/zinc/62/28/22/646622822.db2.gz UABWUKNMXUSLDF-UHFFFAOYSA-N 0 0 388.605 2.415 20 5 GEBDRN Cc1c(Br)cc(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280471709 646685250 /nfs/dbraw/zinc/68/52/50/646685250.db2.gz MZLOTVBMOXKMNH-PWSUYJOCSA-N 0 0 387.230 2.041 20 5 GEBDRN Cc1c(NC(=O)N[C@H](CO)c2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000280726696 646709792 /nfs/dbraw/zinc/70/97/92/646709792.db2.gz KBQRSDFMTJQVDL-GFCCVEGCSA-N 0 0 398.217 2.254 20 5 GEBDRN COC[C@H](C)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000281162615 646750397 /nfs/dbraw/zinc/75/03/97/646750397.db2.gz PXAMOYAMLAIBDI-MRVPVSSYSA-N 0 0 388.218 2.003 20 5 GEBDRN CC[C@]1(C)NC(=O)N(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000281221726 646755355 /nfs/dbraw/zinc/75/53/55/646755355.db2.gz RKZRUZNMAMWPPL-AWEZNQCLSA-N 0 0 386.817 2.092 20 5 GEBDRN O=C1NC(=O)[C@]2(CCC[C@@H]2CNc2ccc([N+](=O)[O-])cc2Br)N1 ZINC000281308037 646760300 /nfs/dbraw/zinc/76/03/00/646760300.db2.gz UIKDPMIQNVFNOH-XLKFXECMSA-N 0 0 383.202 2.148 20 5 GEBDRN CC1=C(Br)CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000281366358 646765459 /nfs/dbraw/zinc/76/54/59/646765459.db2.gz CEIKUHYTPGOOAM-UHFFFAOYSA-N 0 0 376.232 2.121 20 5 GEBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000281711987 646790839 /nfs/dbraw/zinc/79/08/39/646790839.db2.gz DDBHVRFCPDRHEU-GFCCVEGCSA-N 0 0 381.186 2.194 20 5 GEBDRN CNC(=O)[C@@]1(C)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000281899594 646801733 /nfs/dbraw/zinc/80/17/33/646801733.db2.gz UDMYDDVESPDDPI-AWEZNQCLSA-N 0 0 388.193 2.095 20 5 GEBDRN CC1=C(Br)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000281992905 646808992 /nfs/dbraw/zinc/80/89/92/646808992.db2.gz NPFNPPZMYAVFNQ-UHFFFAOYSA-N 0 0 376.232 2.121 20 5 GEBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1C ZINC000282168598 646817417 /nfs/dbraw/zinc/81/74/17/646817417.db2.gz HSDFYQFQNMFKDS-MRVPVSSYSA-N 0 0 390.177 2.369 20 5 GEBDRN COC[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)C1 ZINC000282190139 646819786 /nfs/dbraw/zinc/81/97/86/646819786.db2.gz NUINDMIIOAUKGP-SNVBAGLBSA-N 0 0 393.259 2.323 20 5 GEBDRN C[C@H]1COCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000285632640 646859482 /nfs/dbraw/zinc/85/94/82/646859482.db2.gz NYPLEQDNQIROMH-VHSXEESVSA-N 0 0 393.259 2.308 20 5 GEBDRN CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285651938 646861285 /nfs/dbraw/zinc/86/12/85/646861285.db2.gz AAZIRSQLQYPGRI-AAEUAGOBSA-N 0 0 389.246 2.245 20 5 GEBDRN Cc1nnc(CCNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1C ZINC000286630994 646874516 /nfs/dbraw/zinc/87/45/16/646874516.db2.gz ZSJTWQCUEXGVIK-UHFFFAOYSA-N 0 0 382.218 2.075 20 5 GEBDRN C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000288666233 646922504 /nfs/dbraw/zinc/92/25/04/646922504.db2.gz ALBHYSVKMHJYDU-WCQYABFASA-N 0 0 398.257 2.293 20 5 GEBDRN CN(CCn1cc(Br)cn1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000289742533 647170718 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380.369 2.432 20 5 GEBDRN COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000410168376 647996200 /nfs/dbraw/zinc/99/62/00/647996200.db2.gz ZWPIYEVYEVCXCR-ZYHUDNBSSA-N 0 0 380.369 2.432 20 5 GEBDRN COc1cnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000410834618 648016673 /nfs/dbraw/zinc/01/66/73/648016673.db2.gz NESKRINAEWFOHI-QMMMGPOBSA-N 0 0 382.423 2.365 20 5 GEBDRN COC(=O)[C@H]1CSCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000413455339 648064608 /nfs/dbraw/zinc/06/46/08/648064608.db2.gz LYPUFIFJPJXCHG-LLVKDONJSA-N 0 0 387.845 2.296 20 5 GEBDRN NC(=O)[C@@]1(c2ccccc2)CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000413525956 648070430 /nfs/dbraw/zinc/07/04/30/648070430.db2.gz ZCQZKRYAKBBUSE-INIZCTEOSA-N 0 0 391.225 2.386 20 5 GEBDRN Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000416491625 648146671 /nfs/dbraw/zinc/14/66/71/648146671.db2.gz ZUDDUKUYWWWOMV-ZCFIWIBFSA-N 0 0 379.320 2.080 20 5 GEBDRN 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376.406 2.178 20 5 GEBDRN CCS(=O)(=O)c1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)s1 ZINC000280133707 646653849 /nfs/dbraw/zinc/65/38/49/646653849.db2.gz STINGSPCCFFIFK-UHFFFAOYSA-N 0 0 383.451 2.271 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280180638 646659845 /nfs/dbraw/zinc/65/98/45/646659845.db2.gz DYQPWJNPIDZXMQ-ABAIWWIYSA-N 0 0 390.845 2.125 20 5 GEBDRN C[C@]1(O)CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000280599263 646697379 /nfs/dbraw/zinc/69/73/79/646697379.db2.gz XPLWXTLGGCIDLK-ZDUSSCGKSA-N 0 0 393.259 2.283 20 5 GEBDRN CC[C@@H]1C(=O)NCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280705238 646707936 /nfs/dbraw/zinc/70/79/36/646707936.db2.gz IDUWYZHEBWINMA-LLVKDONJSA-N 0 0 385.218 2.408 20 5 GEBDRN Cc1c(NC(=O)N2CC[C@](C)(C(N)=O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280790995 646717459 /nfs/dbraw/zinc/71/74/59/646717459.db2.gz QCMVAVYHXCGIGG-AWEZNQCLSA-N 0 0 385.218 2.395 20 5 GEBDRN Cc1cc(Cl)c(S(=O)(=O)NCC2([S@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280797511 646718003 /nfs/dbraw/zinc/71/80/03/646718003.db2.gz RLOXQGIDKAVRFQ-QFIPXVFZSA-N 0 0 380.875 2.136 20 5 GEBDRN O=[N+]([O-])c1cc(I)ccc1NC[C@@H](CO)[C@@H]1CCOC1 ZINC000281028868 646738917 /nfs/dbraw/zinc/73/89/17/646738917.db2.gz QGCVSEGGTKRYTM-ZJUUUORDSA-N 0 0 392.193 2.256 20 5 GEBDRN CCN(Cc1cnn(C)c1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281205889 646754485 /nfs/dbraw/zinc/75/44/85/646754485.db2.gz PVNBMMUNSVJVEO-UHFFFAOYSA-N 0 0 376.797 2.332 20 5 GEBDRN CS[C@H](C)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000281279020 646758221 /nfs/dbraw/zinc/75/82/21/646758221.db2.gz WDQDPKUFTADWBH-SSDOTTSWSA-N 0 0 390.259 2.472 20 5 GEBDRN O=C1NC(=O)[C@@]2(CCC[C@H]2CNc2ccc([N+](=O)[O-])cc2Br)N1 ZINC000281308019 646760252 /nfs/dbraw/zinc/76/02/52/646760252.db2.gz UIKDPMIQNVFNOH-RTHLEPHNSA-N 0 0 383.202 2.148 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(c2nccs2)CC1 ZINC000281703335 646790432 /nfs/dbraw/zinc/79/04/32/646790432.db2.gz ZVWPUAFYGSUTHH-UHFFFAOYSA-N 0 0 382.467 2.307 20 5 GEBDRN COC(=O)C[C@@H](C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284098424 646833303 /nfs/dbraw/zinc/83/33/03/646833303.db2.gz NMBSEXDTPOAILM-SECBINFHSA-N 0 0 385.214 2.441 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCSC1 ZINC000284371801 646839576 /nfs/dbraw/zinc/83/95/76/646839576.db2.gz OPLZCUGWOWUDAO-CYBMUJFWSA-N 0 0 375.244 2.264 20 5 GEBDRN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000286356619 646870529 /nfs/dbraw/zinc/87/05/29/646870529.db2.gz HOTNWOHOPHYBKA-NSHDSACASA-N 0 0 381.738 2.241 20 5 GEBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCC1=O ZINC000286542148 646873139 /nfs/dbraw/zinc/87/31/39/646873139.db2.gz UJFUXTIQDQIHPX-SSDOTTSWSA-N 0 0 395.206 2.096 20 5 GEBDRN CC(=O)NC1CCC(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289308298 646930742 /nfs/dbraw/zinc/93/07/42/646930742.db2.gz JLTCSQSQFGYXEU-UHFFFAOYSA-N 0 0 393.824 2.113 20 5 GEBDRN CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289747833 647171491 /nfs/dbraw/zinc/17/14/91/647171491.db2.gz GFUXOHBXTZXOJL-SECBINFHSA-N 0 0 397.236 2.270 20 5 GEBDRN CS(=O)(=O)CC1CCC(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC000295743449 647238716 /nfs/dbraw/zinc/23/87/16/647238716.db2.gz GMADLJCOXXQNQK-UHFFFAOYSA-N 0 0 376.381 2.206 20 5 GEBDRN CS(=O)(=O)c1cccc(NC[C@@H]2CCN(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000301888486 647276236 /nfs/dbraw/zinc/27/62/36/647276236.db2.gz RRFVAHZFMLZXEI-JTQLQIEISA-N 0 0 381.376 2.294 20 5 GEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-n3ccnc3)nc2)s1 ZINC000301927682 647277215 /nfs/dbraw/zinc/27/72/15/647277215.db2.gz MLUFHAQSRAHNKW-UHFFFAOYSA-N 0 0 379.423 2.253 20 5 GEBDRN COc1ccc(S(=O)(=O)N2CCN(c3sccc3[N+](=O)[O-])CC2)cc1 ZINC000301919562 647277242 /nfs/dbraw/zinc/27/72/42/647277242.db2.gz CIMAEVMFKAKUTJ-UHFFFAOYSA-N 0 0 383.451 2.176 20 5 GEBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000322497603 647295394 /nfs/dbraw/zinc/29/53/94/647295394.db2.gz BNOLSXGHONRYGK-TVQRCGJNSA-N 0 0 382.214 2.098 20 5 GEBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000330452677 647337475 /nfs/dbraw/zinc/33/74/75/647337475.db2.gz VAYCHTQKJGHWAK-MNOVXSKESA-N 0 0 389.861 2.316 20 5 GEBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@@H]1CCCCO1 ZINC000330530702 647342527 /nfs/dbraw/zinc/34/25/27/647342527.db2.gz MXVBSZQSUQWBJN-JTQLQIEISA-N 0 0 379.232 2.205 20 5 GEBDRN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000332632029 647449657 /nfs/dbraw/zinc/44/96/57/647449657.db2.gz JQFIJCOGRQMXIE-SNVBAGLBSA-N 0 0 394.229 2.256 20 5 GEBDRN COCCCNC(=O)Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000350737300 647539338 /nfs/dbraw/zinc/53/93/38/647539338.db2.gz RBAQYVKCVPLEJV-UHFFFAOYSA-N 0 0 399.201 2.103 20 5 GEBDRN Cc1nc([N+](=O)[O-])cn1Cc1nc([C@H](C)n2cc(Br)cn2)no1 ZINC000351398589 647555149 /nfs/dbraw/zinc/55/51/49/647555149.db2.gz WLIGBOHDSUYZLE-ZETCQYMHSA-N 0 0 382.178 2.099 20 5 GEBDRN O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000362987087 647578138 /nfs/dbraw/zinc/57/81/38/647578138.db2.gz UTBCKFGTKFSCJG-FZMZJTMJSA-N 0 0 396.241 2.291 20 5 GEBDRN O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000364722375 647638338 /nfs/dbraw/zinc/63/83/38/647638338.db2.gz KEXFIIBTCFLDQZ-WCQYABFASA-N 0 0 388.829 2.007 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000365048527 647654840 /nfs/dbraw/zinc/65/48/40/647654840.db2.gz ZYYOFWQKKJLQIQ-NHYWBVRUSA-N 0 0 390.845 2.173 20 5 GEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@H](CO)Oc2ccccc21 ZINC000366119652 647693655 /nfs/dbraw/zinc/69/36/55/647693655.db2.gz OWJQDBQHYLOVKR-LLVKDONJSA-N 0 0 384.797 2.197 20 5 GEBDRN Cc1nn(C)c(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1Br ZINC000366152629 647695185 /nfs/dbraw/zinc/69/51/85/647695185.db2.gz RVTJKEJRULHPCJ-NSHDSACASA-N 0 0 383.250 2.433 20 5 GEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC12CCOCC2 ZINC000366799868 647705482 /nfs/dbraw/zinc/70/54/82/647705482.db2.gz UTSDQWLWFSANSV-UHFFFAOYSA-N 0 0 391.243 2.301 20 5 GEBDRN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000366839994 647707418 /nfs/dbraw/zinc/70/74/18/647707418.db2.gz MWCNCXRNICAVJV-HONMWMINSA-N 0 0 390.845 2.205 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC(c3nnc[nH]3)CC2)c1 ZINC000367540284 647736890 /nfs/dbraw/zinc/73/68/90/647736890.db2.gz KFYJLIOQFJMHFE-UHFFFAOYSA-N 0 0 389.796 2.074 20 5 GEBDRN O=c1[nH]ccc2c1CN(S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CC2 ZINC000367551874 647737975 /nfs/dbraw/zinc/73/79/75/647737975.db2.gz CFVVFNJBIRNXIT-UHFFFAOYSA-N 0 0 387.776 2.235 20 5 GEBDRN O=c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)n[nH]1 ZINC000369180255 647771093 /nfs/dbraw/zinc/77/10/93/647771093.db2.gz WTJZYFGPSMPXMD-UHFFFAOYSA-N 0 0 380.202 2.180 20 5 GEBDRN Cc1nc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)no1 ZINC000369443181 647777660 /nfs/dbraw/zinc/77/76/60/647777660.db2.gz NUPDWHSQQAECQU-LBPRGKRZSA-N 0 0 397.185 2.262 20 5 GEBDRN COC(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000371746368 647796296 /nfs/dbraw/zinc/79/62/96/647796296.db2.gz IUEPYDJDXFQZAV-NEPJUHHUSA-N 0 0 382.419 2.336 20 5 GEBDRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1)N1CCCCC1 ZINC000372607151 647809283 /nfs/dbraw/zinc/80/92/83/647809283.db2.gz KGMSIIHSVJSJMU-GFCCVEGCSA-N 0 0 387.483 2.070 20 5 GEBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000375561334 647831283 /nfs/dbraw/zinc/83/12/83/647831283.db2.gz VKJUWZLMTRVWMN-PELKAZGASA-N 0 0 399.201 2.320 20 5 GEBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCN2C(=O)OC[C@H]2C1 ZINC000375561293 647831314 /nfs/dbraw/zinc/83/13/14/647831314.db2.gz UUEQHZITGNHBGI-LLVKDONJSA-N 0 0 385.174 2.026 20 5 GEBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000375561294 647831329 /nfs/dbraw/zinc/83/13/29/647831329.db2.gz UUEQHZITGNHBGI-NSHDSACASA-N 0 0 385.174 2.026 20 5 GEBDRN Cn1cc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)cn1 ZINC000376354493 647842933 /nfs/dbraw/zinc/84/29/33/647842933.db2.gz QNTCKDMTZASXCL-OAHLLOKOSA-N 0 0 378.435 2.458 20 5 GEBDRN CCC(=O)N1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000377885391 647871619 /nfs/dbraw/zinc/87/16/19/647871619.db2.gz SPRRLGJIFHVBKV-UHFFFAOYSA-N 0 0 393.824 2.020 20 5 GEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@](O)(C3CC3)C2)c(Cl)cc1Cl ZINC000377888220 647871749 /nfs/dbraw/zinc/87/17/49/647871749.db2.gz ISOBBRNXHJIJNM-CYBMUJFWSA-N 0 0 381.237 2.437 20 5 GEBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[S@@]1=O ZINC000408343153 647946020 /nfs/dbraw/zinc/94/60/20/647946020.db2.gz NTASRGNXNPGLEO-APJWKNSMSA-N 0 0 375.244 2.339 20 5 GEBDRN CC1(C)CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000408395770 647952042 /nfs/dbraw/zinc/95/20/42/647952042.db2.gz RGGXVGSHNUYNHY-UHFFFAOYSA-N 0 0 388.467 2.272 20 5 GEBDRN CS(=O)(=O)NC[C@@H]1CCC[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000409550994 647969159 /nfs/dbraw/zinc/96/91/59/647969159.db2.gz SJRXEZAOHNCDQO-GXSJLCMTSA-N 0 0 392.275 2.487 20 5 GEBDRN CCSCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000409650563 647975945 /nfs/dbraw/zinc/97/59/45/647975945.db2.gz VCSGYXVCJGZWGM-UHFFFAOYSA-N 0 0 389.499 2.171 20 5 GEBDRN CS(=O)(=O)[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000409651261 647976013 /nfs/dbraw/zinc/97/60/13/647976013.db2.gz IBWALGHWXYYFRI-JTQLQIEISA-N 0 0 378.248 2.156 20 5 GEBDRN Cc1csc(NC(=O)CSc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)n1 ZINC000409650584 647976029 /nfs/dbraw/zinc/97/60/29/647976029.db2.gz VGIXUKYMGHNJBY-UHFFFAOYSA-N 0 0 387.464 2.494 20 5 GEBDRN COC(=O)[C@H]1CSCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000413616175 648076058 /nfs/dbraw/zinc/07/60/58/648076058.db2.gz YIORQSYQITYMOW-MRVPVSSYSA-N 0 0 376.232 2.095 20 5 GEBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC000413907068 648083996 /nfs/dbraw/zinc/08/39/96/648083996.db2.gz QKBPZJSWVQBENS-OAHLLOKOSA-N 0 0 384.479 2.113 20 5 GEBDRN COC(=O)c1ccc(S(=O)(=O)N[C@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000416423771 648123830 /nfs/dbraw/zinc/12/38/30/648123830.db2.gz XFTXDHNBSSJJAG-LLVKDONJSA-N 0 0 382.316 2.001 20 5 GEBDRN Cc1cc(S(=O)(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C)cc1[N+](=O)[O-] ZINC000416498607 648150132 /nfs/dbraw/zinc/15/01/32/648150132.db2.gz XTCRCMZNUMZOQV-GWCFXTLKSA-N 0 0 382.360 2.145 20 5 GEBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC1CC(F)(F)C1 ZINC000416503637 648152466 /nfs/dbraw/zinc/15/24/66/648152466.db2.gz WMXADJVZRXFOJA-UHFFFAOYSA-N 0 0 378.353 2.095 20 5 GEBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](CO)CC1CCC1 ZINC000416524004 648159229 /nfs/dbraw/zinc/15/92/29/648159229.db2.gz KNMLVKJHVJBKFP-NSHDSACASA-N 0 0 382.360 2.443 20 5 GEBDRN C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000416531743 648162274 /nfs/dbraw/zinc/16/22/74/648162274.db2.gz HLIKDOSHBWZAGF-WPRPVWTQSA-N 0 0 379.232 2.203 20 5 GEBDRN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000416552344 648169350 /nfs/dbraw/zinc/16/93/50/648169350.db2.gz BFYVYJCZVAJXMA-QMMMGPOBSA-N 0 0 378.332 2.387 20 5 GEBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccn(C)n1 ZINC000416555954 648170295 /nfs/dbraw/zinc/17/02/95/648170295.db2.gz FQQUOVVEUBNNIL-QMMMGPOBSA-N 0 0 389.231 2.130 20 5 GEBDRN CC[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000416615540 648188413 /nfs/dbraw/zinc/18/84/13/648188413.db2.gz GWIDBOIKLXZBPI-OLZOCXBDSA-N 0 0 395.275 2.431 20 5 GEBDRN CC[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000416615541 648188508 /nfs/dbraw/zinc/18/85/08/648188508.db2.gz GWIDBOIKLXZBPI-QWHCGFSZSA-N 0 0 395.275 2.431 20 5 GEBDRN CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000416632511 648194619 /nfs/dbraw/zinc/19/46/19/648194619.db2.gz WMSUYZMXVKPSKI-ZWNOBZJWSA-N 0 0 395.275 2.431 20 5 GEBDRN O=[N+]([O-])c1cncc(I)c1N1CCN(C2CCC2)CC1 ZINC000418875175 648320767 /nfs/dbraw/zinc/32/07/67/648320767.db2.gz 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CS(=O)(=O)c1ccc(Sc2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1 ZINC000821938240 606945189 /nfs/dbraw/zinc/94/51/89/606945189.db2.gz ZVMKQFTYCILXIE-UHFFFAOYSA-N 0 0 377.407 2.330 20 5 GEBDRN O=[N+]([O-])c1cccc(N2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)c1 ZINC000823646962 606965421 /nfs/dbraw/zinc/96/54/21/606965421.db2.gz DVPSAJPWTQHACU-UHFFFAOYSA-N 0 0 383.387 2.236 20 5 GEBDRN Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822458926 607008832 /nfs/dbraw/zinc/00/88/32/607008832.db2.gz JFABXOVQGKYSPB-UHFFFAOYSA-N 0 0 382.153 2.230 20 5 GEBDRN O=[N+]([O-])c1ccc2nc(N3CC[C@@]4(O)CCCC[C@H]4C3)cc(-c3nn[nH]n3)c2c1 ZINC000823644614 607032714 /nfs/dbraw/zinc/03/27/14/607032714.db2.gz JMCGWXJZIYFAHL-BUXKBTBVSA-N 0 0 395.423 2.455 20 5 GEBDRN CN(CCOc1ccc(Cl)cc1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821603970 607162740 /nfs/dbraw/zinc/16/27/40/607162740.db2.gz XBSPABZBAGREOK-UHFFFAOYSA-N 0 0 375.776 2.339 20 5 GEBDRN Cc1nc2ccccc2n1CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000822462316 607163573 /nfs/dbraw/zinc/16/35/73/607163573.db2.gz GMZUJGNIEGPDCK-UHFFFAOYSA-N 0 0 379.384 2.330 20 5 GEBDRN O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826467871 607778841 /nfs/dbraw/zinc/77/88/41/607778841.db2.gz PKESOWNIGDDDNV-UHFFFAOYSA-N 0 0 381.308 2.115 20 5 GEBDRN CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000825376269 607800221 /nfs/dbraw/zinc/80/02/21/607800221.db2.gz FGKLCWKACUQDBM-UHFFFAOYSA-N 0 0 392.379 2.178 20 5 GEBDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826417258 607834647 /nfs/dbraw/zinc/83/46/47/607834647.db2.gz KCUCLUAQGAAEIW-UHFFFAOYSA-N 0 0 380.364 2.133 20 5 GEBDRN O=[N+]([O-])c1ccc2nc(N[C@@H](CO)CC(F)(F)F)cc(-c3nn[nH]n3)c2c1 ZINC000826499735 607935487 /nfs/dbraw/zinc/93/54/87/607935487.db2.gz VAKGHKIIARHOSE-SSDOTTSWSA-N 0 0 383.290 2.048 20 5 GEBDRN O=C(NCc1cc(-c2nn[nH]n2)ccc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826440502 607940477 /nfs/dbraw/zinc/94/04/77/607940477.db2.gz OKUVLHPBNCYSNB-UHFFFAOYSA-N 0 0 397.370 2.182 20 5 GEBDRN O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826401659 607956871 /nfs/dbraw/zinc/95/68/71/607956871.db2.gz DFHFRPKJANXZLM-HJWRWDBZSA-N 0 0 376.376 2.373 20 5 GEBDRN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000824172716 608008345 /nfs/dbraw/zinc/00/83/45/608008345.db2.gz QBRURFWJIPCWTQ-UHFFFAOYSA-N 0 0 396.407 2.291 20 5 GEBDRN COc1ccc(C[C@@H](C)CN(C)c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000826192087 608052054 /nfs/dbraw/zinc/05/20/54/608052054.db2.gz ZOOLEICLJRRNQL-GFCCVEGCSA-N 0 0 383.412 2.494 20 5 GEBDRN CC(C)CN(CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824255210 608062292 /nfs/dbraw/zinc/06/22/92/608062292.db2.gz COWZJMQIXMTJTO-UHFFFAOYSA-N 0 0 383.412 2.099 20 5 GEBDRN O=[N+]([O-])c1ccc(CCN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498429 608067781 /nfs/dbraw/zinc/06/77/81/608067781.db2.gz ULQNYSXIYZAKPP-SFHVURJKSA-N 0 0 380.408 2.391 20 5 GEBDRN O=[N+]([O-])c1ccc(CCN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498428 608067996 /nfs/dbraw/zinc/06/79/96/608067996.db2.gz ULQNYSXIYZAKPP-GOSISDBHSA-N 0 0 380.408 2.391 20 5 GEBDRN COCCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000826162208 608138485 /nfs/dbraw/zinc/13/84/85/608138485.db2.gz SBZJBFLCQRQPCM-UHFFFAOYSA-N 0 0 384.352 2.052 20 5 GEBDRN O=C(CNc1ccc(-c2nn[nH]n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826412897 608210256 /nfs/dbraw/zinc/21/02/56/608210256.db2.gz IKOXFZQGMGSLSE-UHFFFAOYSA-N 0 0 393.407 2.378 20 5 GEBDRN COc1cc(-c2nn[nH]n2)ccc1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000826171719 608347253 /nfs/dbraw/zinc/34/72/53/608347253.db2.gz VZYQHOFQZIYSQB-UHFFFAOYSA-N 0 0 398.379 2.329 20 5 GEBDRN C[C@@H](N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824556120 608391452 /nfs/dbraw/zinc/39/14/52/608391452.db2.gz ZOFKJJHSXNSKJP-WBMJQRKESA-N 0 0 393.407 2.231 20 5 GEBDRN C[C@H](c1cccc(F)c1)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000824771516 608409580 /nfs/dbraw/zinc/40/95/80/608409580.db2.gz QRKUPYQPAPHOSL-GFCCVEGCSA-N 0 0 398.402 2.192 20 5 GEBDRN Nc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826395595 608486528 /nfs/dbraw/zinc/48/65/28/608486528.db2.gz KIXRAHNUJGQHMA-UHFFFAOYSA-N 0 0 391.391 2.287 20 5 GEBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826330289 608486728 /nfs/dbraw/zinc/48/67/28/608486728.db2.gz NHBBJBMCUQIMJM-UHFFFAOYSA-N 0 0 391.391 2.408 20 5 GEBDRN Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000826272516 609163751 /nfs/dbraw/zinc/16/37/51/609163751.db2.gz NVSMADBTQIZGAA-UHFFFAOYSA-N 0 0 375.366 2.381 20 5 GEBDRN C[C@@H](CCNC(=O)OC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824400211 609320233 /nfs/dbraw/zinc/32/02/33/609320233.db2.gz CFBWWFNPPASAOB-JTQLQIEISA-N 0 0 377.405 2.490 20 5 GEBDRN O=C(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826453619 609423927 /nfs/dbraw/zinc/42/39/27/609423927.db2.gz RRQJLWQRGCWHFA-UHFFFAOYSA-N 0 0 388.727 2.409 20 5 GEBDRN O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826498192 609535970 /nfs/dbraw/zinc/53/59/70/609535970.db2.gz KRRYQKDMYQFSKC-UHFFFAOYSA-N 0 0 399.747 2.335 20 5 GEBDRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000446484768 649981703 /nfs/dbraw/zinc/98/17/03/649981703.db2.gz LKURFESJIIWSJB-GFCCVEGCSA-N 0 0 393.197 2.221 20 5 GEBDRN CCOC(=O)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447037040 649995706 /nfs/dbraw/zinc/99/57/06/649995706.db2.gz JUDBCKLNDLNTII-QMMMGPOBSA-N 0 0 384.332 2.091 20 5 GEBDRN COCCN([C@@H]1CCCSC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000447940228 650011617 /nfs/dbraw/zinc/01/16/17/650011617.db2.gz BCRZYOFEHNSHFX-OAHLLOKOSA-N 0 0 388.511 2.311 20 5 GEBDRN Cc1csc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000448604047 650017778 /nfs/dbraw/zinc/01/77/78/650017778.db2.gz CCYMRMCFDIRBBZ-UHFFFAOYSA-N 0 0 383.451 2.210 20 5 GEBDRN CS(=O)(=O)N1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000448943872 650026236 /nfs/dbraw/zinc/02/62/36/650026236.db2.gz YSLVFBCKSGWTTQ-UHFFFAOYSA-N 0 0 382.467 2.190 20 5 GEBDRN Cc1nc(NCCCNC(=O)c2ccc(Br)cc2)ncc1[N+](=O)[O-] ZINC000450304899 650063624 /nfs/dbraw/zinc/06/36/24/650063624.db2.gz OBXFDOGURZPPCQ-UHFFFAOYSA-N 0 0 394.229 2.688 20 5 GEBDRN COc1ccc(Br)cc1C[C@@H](CO)CNc1ccc([N+](=O)[O-])cn1 ZINC000450878556 650073308 /nfs/dbraw/zinc/07/33/08/650073308.db2.gz IUYURSCDFFBDBB-LLVKDONJSA-N 0 0 396.241 3.024 20 5 GEBDRN Cn1cc(Br)c(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000450729305 650070008 /nfs/dbraw/zinc/07/00/08/650070008.db2.gz RXGZJIIROAZNLX-UHFFFAOYSA-N 0 0 395.260 2.168 20 5 GEBDRN Cc1c(Br)cccc1C[C@@H](CO)CNc1ncc([N+](=O)[O-])cn1 ZINC000450888438 650073845 /nfs/dbraw/zinc/07/38/45/650073845.db2.gz MOABDWOOINEIFM-LLVKDONJSA-N 0 0 381.230 2.719 20 5 GEBDRN COc1ccc(Br)cc1C[C@H](CO)CNc1ccncc1[N+](=O)[O-] ZINC000450888528 650073899 /nfs/dbraw/zinc/07/38/99/650073899.db2.gz 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CC1(C)COC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000451984688 650161455 /nfs/dbraw/zinc/16/14/55/650161455.db2.gz VYUCFNHBEYNJGO-NSHDSACASA-N 0 0 379.232 2.061 20 5 GEBDRN CO[C@@H]([C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000451993121 650163153 /nfs/dbraw/zinc/16/31/53/650163153.db2.gz OYJLQJRDNLPKCY-SDBXPKJASA-N 0 0 393.259 2.449 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000451995680 650163457 /nfs/dbraw/zinc/16/34/57/650163457.db2.gz YEORYXMVGXGFAF-HQJQHLMTSA-N 0 0 388.751 2.182 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CCCO)C2)c(C(F)(F)F)c1 ZINC000452119577 650175027 /nfs/dbraw/zinc/17/50/27/650175027.db2.gz QMOMVVCMEOZGPJ-JTQLQIEISA-N 0 0 382.360 2.397 20 5 GEBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[C@H](SC)C1 ZINC000452558097 650189847 /nfs/dbraw/zinc/18/98/47/650189847.db2.gz KHNPPWIWCFGNIC-QWRGUYRKSA-N 0 0 387.483 2.003 20 5 GEBDRN Cn1cc(Br)c(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000455368808 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/nfs/dbraw/zinc/86/65/60/646866560.db2.gz CXQSWGVWAPTKNH-UHFFFAOYSA-N 0 0 377.198 2.275 20 5 GEBDRN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289306263 646930627 /nfs/dbraw/zinc/93/06/27/646930627.db2.gz ACFVUWVABFSCKO-JTQLQIEISA-N 0 0 390.849 2.136 20 5 GEBDRN COCC1(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000292179863 647184370 /nfs/dbraw/zinc/18/43/70/647184370.db2.gz FFEGVGAOJOLGLX-UHFFFAOYSA-N 0 0 392.861 2.278 20 5 GEBDRN COc1ccc(OS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000293037591 647212038 /nfs/dbraw/zinc/21/20/38/647212038.db2.gz JMRXQYFOSKRGIW-UHFFFAOYSA-N 0 0 381.288 2.123 20 5 GEBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(F)(F)[C@H](CO)C1 ZINC000293051108 647213371 /nfs/dbraw/zinc/21/33/71/647213371.db2.gz FVAGNICJDXISON-JTQLQIEISA-N 0 0 378.759 2.493 20 5 GEBDRN CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000294948364 647228847 /nfs/dbraw/zinc/22/88/47/647228847.db2.gz LVDSUDLXNAQZRB-ZDUSSCGKSA-N 0 0 386.246 2.269 20 5 GEBDRN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C)[S@](=O)CC2)cc1[N+](=O)[O-] ZINC000296442933 647252778 /nfs/dbraw/zinc/25/27/78/647252778.db2.gz WQFSQMKYFDWJLR-MLMJSJRWSA-N 0 0 380.875 2.088 20 5 GEBDRN CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000297853681 647266729 /nfs/dbraw/zinc/26/67/29/647266729.db2.gz NXIMPRHNEBMGGT-SNVBAGLBSA-N 0 0 380.344 2.263 20 5 GEBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H](C)CO1 ZINC000299691586 647274835 /nfs/dbraw/zinc/27/48/35/647274835.db2.gz LZJHFZZXIBVMLS-IUCAKERBSA-N 0 0 390.177 2.449 20 5 GEBDRN CS(=O)(=O)c1cccc(N2CCCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000301899483 647276021 /nfs/dbraw/zinc/27/60/21/647276021.db2.gz TXGDUGFUZMLPNR-UHFFFAOYSA-N 0 0 381.376 2.073 20 5 GEBDRN C[C@@H](O)C(=O)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301896162 647276115 /nfs/dbraw/zinc/27/61/15/647276115.db2.gz QHMDSNZGYLBJFV-MRVPVSSYSA-N 0 0 381.738 2.296 20 5 GEBDRN CC(C)C(=O)NC[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301918924 647277374 /nfs/dbraw/zinc/27/73/74/647277374.db2.gz BUKBWZUXFGYDSJ-NSHDSACASA-N 0 0 389.499 2.048 20 5 GEBDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000330452679 647337358 /nfs/dbraw/zinc/33/73/58/647337358.db2.gz VAYCHTQKJGHWAK-WDEREUQCSA-N 0 0 389.861 2.316 20 5 GEBDRN CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000330454147 647337916 /nfs/dbraw/zinc/33/79/16/647337916.db2.gz MGKLBTAYRPNRRP-LLVKDONJSA-N 0 0 384.230 2.298 20 5 GEBDRN C[C@@H]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)[C@H]1C ZINC000331312003 647379564 /nfs/dbraw/zinc/37/95/64/647379564.db2.gz AJLYCZWVMNRFLM-GBIKHYSHSA-N 0 0 386.246 2.460 20 5 GEBDRN C[C@H]1CC[S@@](=O)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000366781773 647704364 /nfs/dbraw/zinc/70/43/64/647704364.db2.gz VSTCAVHMFIZMHZ-JLTPVHFHSA-N 0 0 375.244 2.340 20 5 GEBDRN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000366838375 647707191 /nfs/dbraw/zinc/70/71/91/647707191.db2.gz KQLNSJAOPRTWBU-BZPMIXESSA-N 0 0 390.845 2.205 20 5 GEBDRN O=c1ccc(N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000371331859 647792121 /nfs/dbraw/zinc/79/21/21/647792121.db2.gz LERZLGIQHYHUEO-UHFFFAOYSA-N 0 0 394.229 2.175 20 5 GEBDRN NC(=O)C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000377163224 647854649 /nfs/dbraw/zinc/85/46/49/647854649.db2.gz QGXVMIHCOZEOGU-ZETCQYMHSA-N 0 0 390.621 2.348 20 5 GEBDRN Cc1cnc([C@H]2CCCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C2)s1 ZINC000378488396 647883098 /nfs/dbraw/zinc/88/30/98/647883098.db2.gz NJTAEZGKDUBNGZ-NSHDSACASA-N 0 0 382.467 2.391 20 5 GEBDRN O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000378620689 647886223 /nfs/dbraw/zinc/88/62/23/647886223.db2.gz KBAPEVFGZHJYNW-YPMHNXCESA-N 0 0 388.829 2.007 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000408086949 647924231 /nfs/dbraw/zinc/92/42/31/647924231.db2.gz AVXXUZOMVHPVSU-SDBXPKJASA-N 0 0 393.259 2.057 20 5 GEBDRN CS(=O)(=O)NC[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000409552382 647968931 /nfs/dbraw/zinc/96/89/31/647968931.db2.gz WBOMAOQUBWXONK-GXSJLCMTSA-N 0 0 379.385 2.326 20 5 GEBDRN CCSCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000409639769 647975238 /nfs/dbraw/zinc/97/52/38/647975238.db2.gz FGJGAIOTSAYQSN-UHFFFAOYSA-N 0 0 389.499 2.171 20 5 GEBDRN O=C(CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412038905 648041860 /nfs/dbraw/zinc/04/18/60/648041860.db2.gz HNTJUDNYKMOFIQ-GMXVVIOVSA-N 0 0 398.257 2.389 20 5 GEBDRN Cc1nnc([C@@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)[nH]1 ZINC000412781883 648052483 /nfs/dbraw/zinc/05/24/83/648052483.db2.gz ATVDPNOVEUOKJF-SECBINFHSA-N 0 0 380.202 2.414 20 5 GEBDRN CC(C)(CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000413441445 648064277 /nfs/dbraw/zinc/06/42/77/648064277.db2.gz UFLSDBJNFTUZOT-UHFFFAOYSA-N 0 0 391.877 2.303 20 5 GEBDRN CN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416451181 648128181 /nfs/dbraw/zinc/12/81/81/648128181.db2.gz AYKRIYWYMNWVRP-VIFPVBQESA-N 0 0 396.265 2.157 20 5 GEBDRN COC(=O)c1ccc(S(=O)(=O)N2CCSC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000416477209 648139790 /nfs/dbraw/zinc/13/97/90/648139790.db2.gz RBDSJARQADGFTB-UHFFFAOYSA-N 0 0 388.467 2.288 20 5 GEBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCn2cncc2C1 ZINC000416483597 648142628 /nfs/dbraw/zinc/14/26/28/648142628.db2.gz MMIDEPWVGJPYEG-UHFFFAOYSA-N 0 0 376.316 2.015 20 5 GEBDRN O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC000416497034 648149538 /nfs/dbraw/zinc/14/95/38/648149538.db2.gz RUNOXPZFTOLFSV-UHFFFAOYSA-N 0 0 388.858 2.216 20 5 GEBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000416499509 648150687 /nfs/dbraw/zinc/15/06/87/648150687.db2.gz YVOOECZRPJNALI-SECBINFHSA-N 0 0 378.353 2.095 20 5 GEBDRN COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000416501546 648151301 /nfs/dbraw/zinc/15/13/01/648151301.db2.gz IBEOFJISTRFPHS-SNVBAGLBSA-N 0 0 376.406 2.226 20 5 GEBDRN C[C@H]1CC[C@@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000416526849 648160421 /nfs/dbraw/zinc/16/04/21/648160421.db2.gz BRZVPKMRLJCZLX-KWQFWETISA-N 0 0 379.232 2.203 20 5 GEBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000416534969 648163364 /nfs/dbraw/zinc/16/33/64/648163364.db2.gz ZIOSVDYOXLQTDI-SECBINFHSA-N 0 0 378.353 2.095 20 5 GEBDRN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000416552343 648169361 /nfs/dbraw/zinc/16/93/61/648169361.db2.gz BFYVYJCZVAJXMA-MRVPVSSYSA-N 0 0 378.332 2.387 20 5 GEBDRN CCOC[C@H]1CCCCN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000416554006 648169860 /nfs/dbraw/zinc/16/98/60/648169860.db2.gz VQAGPSFBVYQDIS-LLVKDONJSA-N 0 0 376.406 2.322 20 5 GEBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2C[C@@H]3C[C@H]2CS3)c1 ZINC000416561992 648172721 /nfs/dbraw/zinc/17/27/21/648172721.db2.gz VLXGFSYARFRDAQ-UWVGGRQHSA-N 0 0 379.257 2.236 20 5 GEBDRN COc1c(F)cc(S(=O)(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000416581428 648176639 /nfs/dbraw/zinc/17/66/39/648176639.db2.gz DCYDEWKOTRVIGZ-BJOHPYRUSA-N 0 0 376.406 2.224 20 5 GEBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)O1 ZINC000416611609 648186762 /nfs/dbraw/zinc/18/67/62/648186762.db2.gz YBDAABPWMWOYPO-KXUCPTDWSA-N 0 0 393.259 2.449 20 5 GEBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000416641540 648198119 /nfs/dbraw/zinc/19/81/19/648198119.db2.gz QRKXTOTUTXGVFY-MWLCHTKSSA-N 0 0 393.259 2.187 20 5 GEBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(CC(F)F)C1 ZINC000416705413 648208957 /nfs/dbraw/zinc/20/89/57/648208957.db2.gz LAYBJTMOCVPLCL-LBPRGKRZSA-N 0 0 376.791 2.429 20 5 GEBDRN COCCC1(CNc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418907412 648322494 /nfs/dbraw/zinc/32/24/94/648322494.db2.gz RKCGTDLOKMFLEA-UHFFFAOYSA-N 0 0 377.182 2.245 20 5 GEBDRN COc1cc(CN2C[C@@H](C)CS2(=O)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000419062110 648332144 /nfs/dbraw/zinc/33/21/44/648332144.db2.gz FELMAHMEBYWHSS-SECBINFHSA-N 0 0 380.369 2.029 20 5 GEBDRN CCCN1C[C@H](CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1=O ZINC000421604071 648498837 /nfs/dbraw/zinc/49/88/37/648498837.db2.gz FMCDUZXJZUNLQS-QMMMGPOBSA-N 0 0 390.259 2.407 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000421931339 648512539 /nfs/dbraw/zinc/51/25/39/648512539.db2.gz DRPPUHRWVKOTJR-NSHDSACASA-N 0 0 387.230 2.278 20 5 GEBDRN COC[C@@]1(C(=O)OC)CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425494883 648681461 /nfs/dbraw/zinc/68/14/61/648681461.db2.gz RIHHFSBYXBBOAD-OAHLLOKOSA-N 0 0 387.230 2.369 20 5 GEBDRN Cn1ncc(I)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000431803115 648771652 /nfs/dbraw/zinc/77/16/52/648771652.db2.gz WGPXCXRBIPBTAP-UHFFFAOYSA-N 0 0 398.160 2.136 20 5 GEBDRN CC(C)[C@@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443257719 648869699 /nfs/dbraw/zinc/86/96/99/648869699.db2.gz PYPGGMSZKXXOFT-NSHDSACASA-N 0 0 381.248 2.043 20 5 GEBDRN 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ZINC000879341016 653666247 /nfs/dbraw/zinc/66/62/47/653666247.db2.gz NPFKNTJNBNQRJL-WCBMZHEXSA-N 0 0 381.738 2.289 20 5 GEBDRN CC(C)S(=O)(=O)CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839863148 653668015 /nfs/dbraw/zinc/66/80/15/653668015.db2.gz HBUJQKCWEZNGHJ-LBPRGKRZSA-N 0 0 386.323 2.277 20 5 GEBDRN Cc1nccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1Br ZINC000782920600 653672384 /nfs/dbraw/zinc/67/23/84/653672384.db2.gz ITNNAXTVGXRUEX-UHFFFAOYSA-N 0 0 390.197 2.471 20 5 GEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cnc2n[nH]nc2c1 ZINC000783101068 653674555 /nfs/dbraw/zinc/67/45/55/653674555.db2.gz PWJMMMDHFQCUMO-UHFFFAOYSA-N 0 0 378.142 2.381 20 5 GEBDRN Cn1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)n1 ZINC000862212952 653679497 /nfs/dbraw/zinc/67/94/97/653679497.db2.gz XSGIAKWYKLPQOB-UHFFFAOYSA-N 0 0 380.246 2.413 20 5 GEBDRN Cn1cnnc1Sc1ccc(Br)cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840304718 653682066 /nfs/dbraw/zinc/68/20/66/653682066.db2.gz LRCZVKUZYABAFM-PSASIEDQSA-N 0 0 398.242 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C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ncc(Br)cn1 ZINC000817271507 653707299 /nfs/dbraw/zinc/70/72/99/653707299.db2.gz DHEFITPBJVJJRT-LURJTMIESA-N 0 0 384.165 2.360 20 5 GEBDRN CS(=O)(=O)N1CC[C@@H](COc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000863358830 653707535 /nfs/dbraw/zinc/70/75/35/653707535.db2.gz UYWIDZZEMRNGFY-SECBINFHSA-N 0 0 379.232 2.018 20 5 GEBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863580094 653716446 /nfs/dbraw/zinc/71/64/46/653716446.db2.gz YXQJWIAZBKRLPU-DGCLKSJQSA-N 0 0 381.186 2.029 20 5 GEBDRN O=C(NCc1cnc(N2CCOCC2)s1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000786151187 653719656 /nfs/dbraw/zinc/71/96/56/653719656.db2.gz MPUCOUQRFYPLSY-UHFFFAOYSA-N 0 0 382.829 2.471 20 5 GEBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000863942733 653722724 /nfs/dbraw/zinc/72/27/24/653722724.db2.gz YOBQCCLVDJHGMC-BNMUBRSASA-N 0 0 387.255 2.483 20 5 GEBDRN Cc1sc(S(=O)(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1[N+](=O)[O-] ZINC000841513297 653724204 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GEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]3COC[C@@H]32)ccc1Br ZINC000841552021 653731925 /nfs/dbraw/zinc/73/19/25/653731925.db2.gz SAMSQWHMDCJPFK-RNCFNFMXSA-N 0 0 391.243 2.157 20 5 GEBDRN CCn1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1 ZINC000841553307 653732061 /nfs/dbraw/zinc/73/20/61/653732061.db2.gz BTYAZDHYZTUJHS-UHFFFAOYSA-N 0 0 389.231 2.052 20 5 GEBDRN COC(=O)[C@H](CC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000841555616 653732424 /nfs/dbraw/zinc/73/24/24/653732424.db2.gz KYZRDJGTAQZGDD-NSHDSACASA-N 0 0 376.818 2.177 20 5 GEBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CS[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000841558198 653733284 /nfs/dbraw/zinc/73/32/84/653733284.db2.gz IJRWEKGJZAHPNM-GMSGAONNSA-N 0 0 375.428 2.292 20 5 GEBDRN CO[C@H]1C[C@H](CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000881576538 653733553 /nfs/dbraw/zinc/73/35/53/653733553.db2.gz COESPQNKDKGQPN-UMSPYCQHSA-N 0 0 386.246 2.335 20 5 GEBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)O1 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CC[C@@H](C)C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828076248 654021051 /nfs/dbraw/zinc/02/10/51/654021051.db2.gz VBHFLBZPXXZAQD-NXEZZACHSA-N 0 0 395.275 2.433 20 5 GEBDRN Cc1cc(Cl)c(S(=O)(=O)NCC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000828094304 654021739 /nfs/dbraw/zinc/02/17/39/654021739.db2.gz NHTRCEWRJMCHFW-HNNXBMFYSA-N 0 0 392.861 2.013 20 5 GEBDRN CO[C@H](CS(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000849391571 654021864 /nfs/dbraw/zinc/02/18/64/654021864.db2.gz DYPIXXRGHKAPFU-AMIZOPFISA-N 0 0 383.781 2.147 20 5 GEBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cn1ccc(Br)cc1=O ZINC000868252633 654025214 /nfs/dbraw/zinc/02/52/14/654025214.db2.gz KRCUMNJYOPWQPB-UHFFFAOYSA-N 0 0 394.225 2.220 20 5 GEBDRN CC[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(OC)OC ZINC000849407511 654025503 /nfs/dbraw/zinc/02/55/03/654025503.db2.gz TVYWMPALGJPAPM-JTQLQIEISA-N 0 0 397.247 2.033 20 5 GEBDRN CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(OC)OC ZINC000849407639 654025492 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CO[C@@H](C)CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000560364162 651308210 /nfs/dbraw/zinc/30/82/10/651308210.db2.gz LOGMMYPRJDISFU-QMMMGPOBSA-N 0 0 378.166 2.354 20 5 GEBDRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000560627103 651312771 /nfs/dbraw/zinc/31/27/71/651312771.db2.gz AXFCMXVAEGSDJT-JTQLQIEISA-N 0 0 384.179 2.160 20 5 GEBDRN Nc1nccc(C(=O)NCCc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000561190556 651476404 /nfs/dbraw/zinc/47/64/04/651476404.db2.gz ZPVCEUQOTPGWRE-UHFFFAOYSA-N 0 0 383.177 2.446 20 5 GEBDRN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725816987 651479888 /nfs/dbraw/zinc/47/98/88/651479888.db2.gz CIRMORBYBCQFAN-GFCCVEGCSA-N 0 0 376.818 2.355 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCn1cccnc1=O ZINC000561964552 651485795 /nfs/dbraw/zinc/48/57/95/651485795.db2.gz VQXFNGOITWZLNO-UHFFFAOYSA-N 0 0 395.213 2.043 20 5 GEBDRN CN(Cc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603929246 651503726 /nfs/dbraw/zinc/50/37/26/651503726.db2.gz DTPKIOCXBGWQMO-UHFFFAOYSA-N 0 0 378.435 2.488 20 5 GEBDRN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2I)no1 ZINC000604569540 651517272 /nfs/dbraw/zinc/51/72/72/651517272.db2.gz RJXDRYCAGOSXDR-UHFFFAOYSA-N 0 0 387.133 2.426 20 5 GEBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@H]1C1OCCO1 ZINC000727682282 651526775 /nfs/dbraw/zinc/52/67/75/651526775.db2.gz USPJTHFTZRBFCY-LBPRGKRZSA-N 0 0 376.818 2.164 20 5 GEBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000727682280 651526794 /nfs/dbraw/zinc/52/67/94/651526794.db2.gz USPJTHFTZRBFCY-GFCCVEGCSA-N 0 0 376.818 2.164 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)c(Cl)c1 ZINC000727681979 651526896 /nfs/dbraw/zinc/52/68/96/651526896.db2.gz RJSGIMZCIWMLGP-GFCCVEGCSA-N 0 0 376.818 2.164 20 5 GEBDRN O=C(CCCS(=O)(=O)N1CCCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000727711479 651528302 /nfs/dbraw/zinc/52/83/02/651528302.db2.gz HNXZBFYNPGGTIV-UHFFFAOYSA-N 0 0 375.834 2.393 20 5 GEBDRN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000727712359 651528326 /nfs/dbraw/zinc/52/83/26/651528326.db2.gz VYJBDHOETJQQAC-SNVBAGLBSA-N 0 0 375.834 2.248 20 5 GEBDRN CS(=O)(=O)Nc1ccc(C(=O)COC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000728330166 651542747 /nfs/dbraw/zinc/54/27/47/651542747.db2.gz ZQRKQVVGNXLNDC-UHFFFAOYSA-N 0 0 384.391 2.068 20 5 GEBDRN CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000564133326 651556012 /nfs/dbraw/zinc/55/60/12/651556012.db2.gz ZVRIHOHZHVBRKK-BDAKNGLRSA-N 0 0 381.248 2.367 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000564913367 651585428 /nfs/dbraw/zinc/58/54/28/651585428.db2.gz WIGKUNFXPKKNJP-CYBMUJFWSA-N 0 0 378.859 2.145 20 5 GEBDRN O=C(CSc1nnnn1CC(F)(F)F)OCc1csc([N+](=O)[O-])c1 ZINC000730048682 651588464 /nfs/dbraw/zinc/58/84/64/651588464.db2.gz JVYYPLYKGPXWBX-UHFFFAOYSA-N 0 0 383.333 2.041 20 5 GEBDRN CCc1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000565305080 651592462 /nfs/dbraw/zinc/59/24/62/651592462.db2.gz NMLXDKKDSGGPKY-ZWNOBZJWSA-N 0 0 382.360 2.091 20 5 GEBDRN CCc1ccc(S(=O)(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000565305065 651592532 /nfs/dbraw/zinc/59/25/32/651592532.db2.gz NMLXDKKDSGGPKY-GWCFXTLKSA-N 0 0 382.360 2.091 20 5 GEBDRN O=C(c1ncsc1Br)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000565677266 651597452 /nfs/dbraw/zinc/59/74/52/651597452.db2.gz GUTHDNXLJYBWIZ-UHFFFAOYSA-N 0 0 398.242 2.171 20 5 GEBDRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000731677226 651631404 /nfs/dbraw/zinc/63/14/04/651631404.db2.gz UKDMRKIKWBTMQT-JTQLQIEISA-N 0 0 391.471 2.286 20 5 GEBDRN CCc1nc(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)sc1C ZINC000609841986 651633506 /nfs/dbraw/zinc/63/35/06/651633506.db2.gz HHZZXYXBIZXKOU-UHFFFAOYSA-N 0 0 384.439 2.130 20 5 GEBDRN CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)CSC)cc([N+](=O)[O-])c1C ZINC000609899538 651636061 /nfs/dbraw/zinc/63/60/61/651636061.db2.gz FOWXJOSSCRLAPI-SECBINFHSA-N 0 0 376.456 2.110 20 5 GEBDRN O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)NCCOc1ccc(Cl)cc1 ZINC000609905258 651636512 /nfs/dbraw/zinc/63/65/12/651636512.db2.gz CCUOWNHZKORUNH-UHFFFAOYSA-N 0 0 386.191 2.259 20 5 GEBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(C(=O)C2CC2)CC1 ZINC000610036965 651640958 /nfs/dbraw/zinc/64/09/58/651640958.db2.gz ZGUFKZRIASLDJQ-UHFFFAOYSA-N 0 0 382.214 2.052 20 5 GEBDRN C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[S@@]1=O ZINC000610074711 651643392 /nfs/dbraw/zinc/64/33/92/651643392.db2.gz GGDGNPGIUJYKIP-IJRMKIOGSA-N 0 0 380.344 2.129 20 5 GEBDRN C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[S@@]1=O ZINC000610074709 651643517 /nfs/dbraw/zinc/64/35/17/651643517.db2.gz GGDGNPGIUJYKIP-USOBGDSLSA-N 0 0 380.344 2.129 20 5 GEBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732787583 651674292 /nfs/dbraw/zinc/67/42/92/651674292.db2.gz IJLVDAWUUBRQGI-LLVKDONJSA-N 0 0 379.722 2.483 20 5 GEBDRN COCCN(Cc1ccc(Br)s1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000568741042 651678188 /nfs/dbraw/zinc/67/81/88/651678188.db2.gz XXPJCSFTZPLFDM-UHFFFAOYSA-N 0 0 389.231 2.431 20 5 GEBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3c(F)cc(Br)cc3C2)c1 ZINC000610724106 651678684 /nfs/dbraw/zinc/67/86/84/651678684.db2.gz PXXBHHQXCILSPJ-ZDUSSCGKSA-N 0 0 399.220 2.112 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](CO)Oc3ccccc32)c(Cl)c1 ZINC000610733828 651680645 /nfs/dbraw/zinc/68/06/45/651680645.db2.gz VVIBCMUCEOJHJW-NSHDSACASA-N 0 0 384.797 2.197 20 5 GEBDRN CC1(C)OCC[C@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000568958552 651691756 /nfs/dbraw/zinc/69/17/56/651691756.db2.gz OSFNNNRUJAKJNC-LLVKDONJSA-N 0 0 390.177 2.497 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)N2CCCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000610948054 651694823 /nfs/dbraw/zinc/69/48/23/651694823.db2.gz QIAHAFQGIRKTNU-SECBINFHSA-N 0 0 393.259 2.465 20 5 GEBDRN CCN(C[C@H]1CCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610956229 651695402 /nfs/dbraw/zinc/69/54/02/651695402.db2.gz YSYBXCVKZKQUOL-SNVBAGLBSA-N 0 0 393.259 2.404 20 5 GEBDRN CN(CCn1cc(Br)cn1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000569050798 651696464 /nfs/dbraw/zinc/69/64/64/651696464.db2.gz HNBPWINVVWVGEU-UHFFFAOYSA-N 0 0 397.185 2.055 20 5 GEBDRN CC(C)(C)CN(CCO)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000611021182 651701153 /nfs/dbraw/zinc/70/11/53/651701153.db2.gz RJDQFWASUKOUNW-UHFFFAOYSA-N 0 0 395.275 2.386 20 5 GEBDRN CCOC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000611034964 651703602 /nfs/dbraw/zinc/70/36/02/651703602.db2.gz QYMNRYUVIREOGB-LLVKDONJSA-N 0 0 376.456 2.400 20 5 GEBDRN CCn1cc(S(=O)(=O)NC2(c3nc(C)cs3)CCCC2)c([N+](=O)[O-])n1 ZINC000611105698 651706922 /nfs/dbraw/zinc/70/69/22/651706922.db2.gz CTYIULNSNLWVFM-UHFFFAOYSA-N 0 0 385.471 2.324 20 5 GEBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)S(N)(=O)=O ZINC000611257733 651716692 /nfs/dbraw/zinc/71/66/92/651716692.db2.gz MCUMMSBUZXOSGP-SNVBAGLBSA-N 0 0 387.483 2.036 20 5 GEBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCN(C)S(C)(=O)=O ZINC000611402004 651723210 /nfs/dbraw/zinc/72/32/10/651723210.db2.gz UCYUYXXPIOKOME-UHFFFAOYSA-N 0 0 389.499 2.107 20 5 GEBDRN CCOC(=O)CCN(CC1CC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611928816 651737341 /nfs/dbraw/zinc/73/73/41/651737341.db2.gz WBYHFYHBYONJNZ-UHFFFAOYSA-N 0 0 376.456 2.229 20 5 GEBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCSc1ccccn1 ZINC000570049535 651742193 /nfs/dbraw/zinc/74/21/93/651742193.db2.gz OOMAYIJOYDULQK-UHFFFAOYSA-N 0 0 383.451 2.459 20 5 GEBDRN C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000612031058 651743015 /nfs/dbraw/zinc/74/30/15/651743015.db2.gz RAYCUNOMUSDJTI-ZWNOBZJWSA-N 0 0 382.360 2.020 20 5 GEBDRN CC(C)(CO)N1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000612313777 651751893 /nfs/dbraw/zinc/75/18/93/651751893.db2.gz RQHUUORXXSOFOO-UHFFFAOYSA-N 0 0 387.889 2.255 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000734842500 651756129 /nfs/dbraw/zinc/75/61/29/651756129.db2.gz PQEUVIKWAOSWSB-UHFFFAOYSA-N 0 0 385.419 2.216 20 5 GEBDRN Cc1sc(S(=O)(=O)N2CCC(OC[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000570376622 651763620 /nfs/dbraw/zinc/76/36/20/651763620.db2.gz DZYAXWKGROYIBF-LBPRGKRZSA-N 0 0 390.483 2.171 20 5 GEBDRN O=[N+]([O-])c1ccc(Cc2noc(CCn3cc(Br)cn3)n2)nc1 ZINC000612969915 651777254 /nfs/dbraw/zinc/77/72/54/651777254.db2.gz PVQJDBBNLZVXIG-UHFFFAOYSA-N 0 0 379.174 2.165 20 5 GEBDRN Cc1sc(S(=O)(=O)N(C)CC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000613471387 651787364 /nfs/dbraw/zinc/78/73/64/651787364.db2.gz LCDTXKPEBIEFJA-UHFFFAOYSA-N 0 0 389.499 2.376 20 5 GEBDRN CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000613526328 651789796 /nfs/dbraw/zinc/78/97/96/651789796.db2.gz HZOBLOUIOPXCPI-CMPLNLGQSA-N 0 0 390.458 2.250 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](n2cncn2)C1 ZINC000614407437 651826344 /nfs/dbraw/zinc/82/63/44/651826344.db2.gz QMGBLMBDIDLACJ-VIFPVBQESA-N 0 0 392.224 2.129 20 5 GEBDRN CN(CC(=O)Oc1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737465505 651849947 /nfs/dbraw/zinc/84/99/47/651849947.db2.gz VEHPLAUMNPBSBV-UHFFFAOYSA-N 0 0 384.797 2.474 20 5 GEBDRN O=[N+]([O-])c1cc(I)ccc1N1C[C@@H](O)CC(F)(F)C1 ZINC000615730223 651872341 /nfs/dbraw/zinc/87/23/41/651872341.db2.gz FBJPHXCSRYJIJR-QMMMGPOBSA-N 0 0 384.120 2.406 20 5 GEBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000615907962 651883137 /nfs/dbraw/zinc/88/31/37/651883137.db2.gz JTUORLMKAPLYAV-LLVKDONJSA-N 0 0 376.381 2.175 20 5 GEBDRN CN(CC(=O)OCCc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000738675165 651898047 /nfs/dbraw/zinc/89/80/47/651898047.db2.gz XWIFUKOTZNHCJD-UHFFFAOYSA-N 0 0 384.435 2.063 20 5 GEBDRN CC[C@@]1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1 ZINC000616461349 651901043 /nfs/dbraw/zinc/90/10/43/651901043.db2.gz VWQADWLTLWGMLQ-GFCCVEGCSA-N 0 0 379.232 2.205 20 5 GEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)C1CCS(=O)(=O)CC1 ZINC000739578087 651904394 /nfs/dbraw/zinc/90/43/94/651904394.db2.gz HDDNCSJOMRMZDL-UHFFFAOYSA-N 0 0 392.227 2.225 20 5 GEBDRN O=[N+]([O-])c1ccc(Cl)cc1CNCCNS(=O)(=O)Cc1ccccc1 ZINC000740004802 651913405 /nfs/dbraw/zinc/91/34/05/651913405.db2.gz WPTFCCXWPTZQPQ-UHFFFAOYSA-N 0 0 383.857 2.457 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000573621412 651969504 /nfs/dbraw/zinc/96/95/04/651969504.db2.gz LGDBNLGIDHBBLQ-NSHDSACASA-N 0 0 394.280 2.211 20 5 GEBDRN CC(C)N1C(=O)CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000742337614 651983686 /nfs/dbraw/zinc/98/36/86/651983686.db2.gz FAQTZIUYVYTVBK-UHFFFAOYSA-N 0 0 389.861 2.268 20 5 GEBDRN NC(=O)c1ncc(Br)cc1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573917090 651988880 /nfs/dbraw/zinc/98/88/80/651988880.db2.gz GSFXIIQCBIULDQ-UHFFFAOYSA-N 0 0 377.198 2.414 20 5 GEBDRN CCC[C@@H]1CNCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000574322941 652016245 /nfs/dbraw/zinc/01/62/45/652016245.db2.gz VNWWHJDDKYXPAL-LLVKDONJSA-N 0 0 381.376 2.376 20 5 GEBDRN CC(C)[C@@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000618964422 652040309 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GEBDRN COc1cc(S(=O)(=O)N[C@H](C)C[C@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000269745479 532789562 /nfs/dbraw/zinc/78/95/62/532789562.db2.gz AHFMSJNJRCEWDW-MFKMUULPSA-N 0 0 386.451 2.455 20 5 GEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457323710 532790222 /nfs/dbraw/zinc/79/02/22/532790222.db2.gz IKRNQOKQSWRBCQ-NSHDSACASA-N 0 0 380.202 2.463 20 5 GEBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)Cc1cccs1 ZINC000327967737 532792933 /nfs/dbraw/zinc/79/29/33/532792933.db2.gz NGQUBDMZUOPNDO-SNVBAGLBSA-N 0 0 384.435 2.352 20 5 GEBDRN Cn1cc(Br)c(Cn2cc(Br)cc([N+](=O)[O-])c2=O)n1 ZINC000549054979 532794023 /nfs/dbraw/zinc/79/40/23/532794023.db2.gz GTVCJTYSLRYLNE-UHFFFAOYSA-N 0 0 392.007 2.063 20 5 GEBDRN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000549590155 532795171 /nfs/dbraw/zinc/79/51/71/532795171.db2.gz SGMLJIYHPLONKY-NSHDSACASA-N 0 0 383.451 2.143 20 5 GEBDRN O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000287057347 532781433 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ZINC000826283796 607450586 /nfs/dbraw/zinc/45/05/86/607450586.db2.gz ATLCMCYQNUBVIW-MRXNPFEDSA-N 0 0 399.411 2.162 20 5 GEBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826439174 607454327 /nfs/dbraw/zinc/45/43/27/607454327.db2.gz IDQSDIXVROSKPL-UHFFFAOYSA-N 0 0 393.407 2.306 20 5 GEBDRN COc1ccc(-c2nn[nH]n2)cc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826183122 607518133 /nfs/dbraw/zinc/51/81/33/607518133.db2.gz FDLLXPYCBBEGDA-UHFFFAOYSA-N 0 0 395.423 2.106 20 5 GEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000739872774 601850564 /nfs/dbraw/zinc/85/05/64/601850564.db2.gz SMBNCNUQYMVIDI-CYBMUJFWSA-N 0 0 394.428 2.254 20 5 GEBDRN O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000740516583 601928193 /nfs/dbraw/zinc/92/81/93/601928193.db2.gz LWVRVURPNSNPPS-CGTJXYLNSA-N 0 0 393.440 2.331 20 5 GEBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739873548 601973237 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ZINC000117659684 643494395 /nfs/dbraw/zinc/49/43/95/643494395.db2.gz NODLKJMBQSPAKD-AWEZNQCLSA-N 0 0 383.857 2.315 20 5 GEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000117659681 643494460 /nfs/dbraw/zinc/49/44/60/643494460.db2.gz NODLKJMBQSPAKD-CQSZACIVSA-N 0 0 383.857 2.315 20 5 GEBDRN Cn1cc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000119002094 643530335 /nfs/dbraw/zinc/53/03/35/643530335.db2.gz MCVCYGGDXGGTQW-UHFFFAOYSA-N 0 0 378.332 2.363 20 5 GEBDRN CC[C@@H](C)[C@H](O)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000119402054 643551289 /nfs/dbraw/zinc/55/12/89/643551289.db2.gz TYIOHROIIHHMGS-PRHODGIISA-N 0 0 381.248 2.043 20 5 GEBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)c(=O)n(C)c2)c1 ZINC000119728839 643568682 /nfs/dbraw/zinc/56/86/82/643568682.db2.gz LICJRNPKGGIRAU-UHFFFAOYSA-N 0 0 382.170 2.317 20 5 GEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cs1 ZINC000119731336 643569181 /nfs/dbraw/zinc/56/91/81/643569181.db2.gz KVUTUQJFKUCLFW-JTQLQIEISA-N 0 0 389.405 2.492 20 5 GEBDRN CN(CC1(O)CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000119837722 643574251 /nfs/dbraw/zinc/57/42/51/643574251.db2.gz OJUPFMOWGLKEDV-UHFFFAOYSA-N 0 0 393.259 2.283 20 5 GEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3cc(F)ccc3F)CC2)cs1 ZINC000119939033 643580548 /nfs/dbraw/zinc/58/05/48/643580548.db2.gz LKXWSCRWOBOVOQ-UHFFFAOYSA-N 0 0 389.405 2.445 20 5 GEBDRN CN(Cc1cn(C)nc1C(F)(F)F)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120085508 643591051 /nfs/dbraw/zinc/59/10/51/643591051.db2.gz MMXGXHPUYQUYML-UHFFFAOYSA-N 0 0 384.361 2.229 20 5 GEBDRN CNC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(Cl)c1 ZINC000120094533 643591684 /nfs/dbraw/zinc/59/16/84/643591684.db2.gz BZTZESNWOYLVKV-UHFFFAOYSA-N 0 0 375.815 2.470 20 5 GEBDRN O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)Nc1cccnc1Cl ZINC000120175093 643595302 /nfs/dbraw/zinc/59/53/02/643595302.db2.gz JUUKIWKRDVKWAP-UHFFFAOYSA-N 0 0 387.577 2.206 20 5 GEBDRN C[C@H]1C[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000539890958 650852683 /nfs/dbraw/zinc/85/26/83/650852683.db2.gz FMRUUAQNEUAQJU-GZMMTYOYSA-N 0 0 390.177 2.497 20 5 GEBDRN CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000498310697 650853724 /nfs/dbraw/zinc/85/37/24/650853724.db2.gz UKSLOWSMLUDGAA-CMPLNLGQSA-N 0 0 384.230 2.310 20 5 GEBDRN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000498310699 650853807 /nfs/dbraw/zinc/85/38/07/650853807.db2.gz UKSLOWSMLUDGAA-PWSUYJOCSA-N 0 0 384.230 2.310 20 5 GEBDRN C[C@@](O)(CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000121131219 643628814 /nfs/dbraw/zinc/62/88/14/643628814.db2.gz KSNABRIKGWBCAV-CYBMUJFWSA-N 0 0 376.843 2.496 20 5 GEBDRN COc1cc(Br)cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000498309674 650853825 /nfs/dbraw/zinc/85/38/25/650853825.db2.gz ODTTZQCCGPJAOO-UHFFFAOYSA-N 0 0 382.170 2.166 20 5 GEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N(CCCCO)C1CC1 ZINC000121487152 643633661 /nfs/dbraw/zinc/63/36/61/643633661.db2.gz PQGSBQDBYHYMPS-UHFFFAOYSA-N 0 0 393.259 2.283 20 5 GEBDRN CC(C)(CO)CCCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000121672845 643637944 /nfs/dbraw/zinc/63/79/44/643637944.db2.gz DZULQJPUYIYOLD-UHFFFAOYSA-N 0 0 395.275 2.434 20 5 GEBDRN CC(C)(C(=O)OCCOc1cncc(Br)c1)n1cc([N+](=O)[O-])cn1 ZINC000124426392 643686271 /nfs/dbraw/zinc/68/62/71/643686271.db2.gz XVFFVYXYGVVWNO-UHFFFAOYSA-N 0 0 399.201 2.306 20 5 GEBDRN CS[C@@H](CO)[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000126315315 643727850 /nfs/dbraw/zinc/72/78/50/643727850.db2.gz DSPVUVYIGZWQOL-UFBFGSQYSA-N 0 0 377.260 2.128 20 5 GEBDRN CNc1ccc(S(=O)(=O)N(C)CCCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000126613061 643737716 /nfs/dbraw/zinc/73/77/16/643737716.db2.gz VEQCGEWHDKJQLN-UHFFFAOYSA-N 0 0 385.364 2.226 20 5 GEBDRN Cc1c(Br)cc(C(=O)NCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000126698072 643742851 /nfs/dbraw/zinc/74/28/51/643742851.db2.gz WCINQHIUXDEEGI-UHFFFAOYSA-N 0 0 393.259 2.219 20 5 GEBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC(=O)c1cccs1 ZINC000126846476 643747824 /nfs/dbraw/zinc/74/78/24/643747824.db2.gz PYEIJMWJJXYDKJ-UHFFFAOYSA-N 0 0 381.797 2.039 20 5 GEBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCC2(CCO)CCC2)ccc1Br ZINC000127347146 643772216 /nfs/dbraw/zinc/77/22/16/643772216.db2.gz LUNCQONDNWCHGS-UHFFFAOYSA-N 0 0 393.259 2.188 20 5 GEBDRN COC(=O)c1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1F ZINC000127579620 643779124 /nfs/dbraw/zinc/77/91/24/643779124.db2.gz JSAHWTVBYNUSFN-UHFFFAOYSA-N 0 0 385.145 2.493 20 5 GEBDRN CCN(Cc1cn(C)nn1)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000541010637 650868087 /nfs/dbraw/zinc/86/80/87/650868087.db2.gz RHPKZRBVNRGQAN-UHFFFAOYSA-N 0 0 382.218 2.457 20 5 GEBDRN C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000128929503 643814212 /nfs/dbraw/zinc/81/42/12/643814212.db2.gz GBVPFHRNWHCWKS-ZJUUUORDSA-N 0 0 393.259 2.139 20 5 GEBDRN COC(=O)c1c(C)[nH]c(C(=O)Cn2c(C)nc([N+](=O)[O-])c2Br)c1C ZINC000128971613 643816428 /nfs/dbraw/zinc/81/64/28/643816428.db2.gz RWAOJSCEGFRCQO-UHFFFAOYSA-N 0 0 399.201 2.477 20 5 GEBDRN CC1(NC(=O)c2cc([N+](=O)[O-])ccc2I)CCOCC1 ZINC000130727680 643848660 /nfs/dbraw/zinc/84/86/60/643848660.db2.gz GVLJHQARLBFBBO-UHFFFAOYSA-N 0 0 390.177 2.498 20 5 GEBDRN CC(C)c1nnc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000131009684 643859486 /nfs/dbraw/zinc/85/94/86/643859486.db2.gz MIPDLYMLQQNBBO-UHFFFAOYSA-N 0 0 385.471 2.497 20 5 GEBDRN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000131080353 643862858 /nfs/dbraw/zinc/86/28/58/643862858.db2.gz NRKXVANTZFUBLV-LLVKDONJSA-N 0 0 389.861 2.236 20 5 GEBDRN CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CCN1CC(F)F ZINC000132927396 643888119 /nfs/dbraw/zinc/88/81/19/643888119.db2.gz YXVFEBFQBBIAQP-LBPRGKRZSA-N 0 0 377.413 2.253 20 5 GEBDRN CC[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000132937191 643888960 /nfs/dbraw/zinc/88/89/60/643888960.db2.gz BUXVFZIOWXZIGG-JTQLQIEISA-N 0 0 381.376 2.084 20 5 GEBDRN O=C(NC[C@@H]1CCCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1Br ZINC000541298187 650873028 /nfs/dbraw/zinc/87/30/28/650873028.db2.gz GABXACBPPWBNKO-JTQLQIEISA-N 0 0 391.243 2.054 20 5 GEBDRN Cc1c(Br)cc(C(=O)NC[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000151598994 643947956 /nfs/dbraw/zinc/94/79/56/643947956.db2.gz ZGPPADXXURLMLW-OAHLLOKOSA-N 0 0 387.230 2.185 20 5 GEBDRN CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000151914424 643961246 /nfs/dbraw/zinc/96/12/46/643961246.db2.gz PHNLQETXESBXLN-NSHDSACASA-N 0 0 384.230 2.298 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000151952788 643962187 /nfs/dbraw/zinc/96/21/87/643962187.db2.gz VAPFDGNVTDCWLH-ZBFHGGJFSA-N 0 0 382.825 2.493 20 5 GEBDRN O=[N+]([O-])c1cccc([C@H](O)Cn2nc(Br)nc2Br)c1 ZINC000152415126 643968404 /nfs/dbraw/zinc/96/84/04/643968404.db2.gz GGVPJPLTBVTWTB-MRVPVSSYSA-N 0 0 392.007 2.445 20 5 GEBDRN Cc1ccnc2nc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)nn21 ZINC000152810490 643973826 /nfs/dbraw/zinc/97/38/26/643973826.db2.gz XMNFPEZHYYKDML-UHFFFAOYSA-N 0 0 392.169 2.460 20 5 GEBDRN CCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000153878165 644009752 /nfs/dbraw/zinc/00/97/52/644009752.db2.gz DYKFPRLCBBQFEF-MRVPVSSYSA-N 0 0 379.232 2.046 20 5 GEBDRN NC(=O)c1cccc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000153878484 644009777 /nfs/dbraw/zinc/00/97/77/644009777.db2.gz UBCHPVKBIYOIBF-UHFFFAOYSA-N 0 0 399.222 2.430 20 5 GEBDRN CCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000153887491 644010935 /nfs/dbraw/zinc/01/09/35/644010935.db2.gz WQRLMLOWJLGCFA-SECBINFHSA-N 0 0 393.259 2.436 20 5 GEBDRN O=C(Nn1cnc2ccccc2c1=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154093756 644017014 /nfs/dbraw/zinc/01/70/14/644017014.db2.gz AKWLEKNOJZSNRS-UHFFFAOYSA-N 0 0 389.165 2.451 20 5 GEBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000154257115 644029214 /nfs/dbraw/zinc/02/92/14/644029214.db2.gz UOTJTEVAXWVNAA-KBPBESRZSA-N 0 0 385.214 2.377 20 5 GEBDRN Nc1ccnc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)n1 ZINC000155252621 644067958 /nfs/dbraw/zinc/06/79/58/644067958.db2.gz RDSKRLRCFKQHKT-UHFFFAOYSA-N 0 0 386.593 2.313 20 5 GEBDRN Cn1cnc([N+](=O)[O-])c1Cn1cc(Br)cc(Br)c1=O ZINC000542231814 650888987 /nfs/dbraw/zinc/88/89/87/650888987.db2.gz QCADEPQPJRZNGD-UHFFFAOYSA-N 0 0 392.007 2.063 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(CCO)CCc1ccccc1 ZINC000156504158 644099679 /nfs/dbraw/zinc/09/96/79/644099679.db2.gz FZRYDQXREGTFBS-UHFFFAOYSA-N 0 0 384.841 2.474 20 5 GEBDRN COCCc1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000156660656 644111009 /nfs/dbraw/zinc/11/10/09/644111009.db2.gz GLSVPDZVGAWUMU-UHFFFAOYSA-N 0 0 399.201 2.201 20 5 GEBDRN CC[C@H](O)CCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000156818217 644119133 /nfs/dbraw/zinc/11/91/33/644119133.db2.gz YPADWAJHSIWJFU-VIFPVBQESA-N 0 0 381.248 2.105 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(O)C3)c(C(F)(F)F)c1 ZINC000158678520 644155045 /nfs/dbraw/zinc/15/50/45/644155045.db2.gz YHCUSKVRSKNCJM-SLHIUPAKSA-N 0 0 380.344 2.290 20 5 GEBDRN 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GEBDRN CO[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1(C)C ZINC000753375688 652405870 /nfs/dbraw/zinc/40/58/70/652405870.db2.gz BGGGXKDKNSYPAR-NWDGAFQWSA-N 0 0 393.259 2.449 20 5 GEBDRN CO[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1(C)C ZINC000753376564 652406151 /nfs/dbraw/zinc/40/61/51/652406151.db2.gz JAVJXIRPKUMBOP-RYUDHWBXSA-N 0 0 393.259 2.449 20 5 GEBDRN Cc1c(Br)cc(C(=O)OCc2nnnn2C2CC2)cc1[N+](=O)[O-] ZINC000753432267 652407865 /nfs/dbraw/zinc/40/78/65/652407865.db2.gz YYSXRSRBAHQWOD-UHFFFAOYSA-N 0 0 382.174 2.344 20 5 GEBDRN CC(C)(COc1ncccc1Br)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000581258140 652408193 /nfs/dbraw/zinc/40/81/93/652408193.db2.gz TWVBWTBROUYPNT-UHFFFAOYSA-N 0 0 384.190 2.063 20 5 GEBDRN COc1cccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000754038120 652424735 /nfs/dbraw/zinc/42/47/35/652424735.db2.gz UCWTUGNRZRSNEE-UHFFFAOYSA-N 0 0 385.829 2.481 20 5 GEBDRN COC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000754885732 652450456 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CCN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1=O ZINC000756738445 652504543 /nfs/dbraw/zinc/50/45/43/652504543.db2.gz PGGKODINLXPAOC-UHFFFAOYSA-N 0 0 390.621 2.315 20 5 GEBDRN Cc1cc(OCC(=O)NCCCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000584073727 652508192 /nfs/dbraw/zinc/50/81/92/652508192.db2.gz MBRIFTXFCMNPDL-UHFFFAOYSA-N 0 0 397.229 2.448 20 5 GEBDRN CNS(=O)(=O)c1cccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000756992689 652511256 /nfs/dbraw/zinc/51/12/56/652511256.db2.gz HMBDNQKICKZCLU-UHFFFAOYSA-N 0 0 383.813 2.086 20 5 GEBDRN CNS(=O)(=O)c1csc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000756999705 652511606 /nfs/dbraw/zinc/51/16/06/652511606.db2.gz YRUDMNSFXQTWBF-UHFFFAOYSA-N 0 0 389.842 2.148 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000585700715 652534122 /nfs/dbraw/zinc/53/41/22/652534122.db2.gz OBHOKULQJHENPA-QMTHXVAHSA-N 0 0 386.246 2.115 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(Br)nn1C ZINC000758789994 652554489 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Nc1nc(NCCc2c[nH]c3cccc(Br)c23)ncc1[N+](=O)[O-] ZINC000589602667 652569714 /nfs/dbraw/zinc/56/97/14/652569714.db2.gz ROASLKLZZMPHLZ-UHFFFAOYSA-N 0 0 377.202 2.287 20 5 GEBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cnn(C)c1Br ZINC000759633922 652580780 /nfs/dbraw/zinc/58/07/80/652580780.db2.gz WQHMNVKOBBOXKQ-UHFFFAOYSA-N 0 0 397.185 2.195 20 5 GEBDRN C[C@H](OC(=O)c1cnn(C)c1Br)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000759633269 652580808 /nfs/dbraw/zinc/58/08/08/652580808.db2.gz SWUQULBOBWLIAP-QMMMGPOBSA-N 0 0 397.185 2.275 20 5 GEBDRN COC(=O)c1ccc(S(=O)(=O)N2CC(C)(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000592073219 652583658 /nfs/dbraw/zinc/58/36/58/652583658.db2.gz KDUSJLZLLHJZTK-UHFFFAOYSA-N 0 0 378.353 2.047 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)NCC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592085030 652584513 /nfs/dbraw/zinc/58/45/13/652584513.db2.gz BHSOSDVMKTXKSC-HNNXBMFYSA-N 0 0 392.861 2.013 20 5 GEBDRN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1SC ZINC000592104410 652586177 /nfs/dbraw/zinc/58/61/77/652586177.db2.gz IYVMHXCWWMOPPO-JLLWLGSASA-N 0 0 380.875 2.436 20 5 GEBDRN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)n1 ZINC000760324791 652603801 /nfs/dbraw/zinc/60/38/01/652603801.db2.gz BVMRWZOBBSDAPU-UHFFFAOYSA-N 0 0 388.745 2.361 20 5 GEBDRN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@]1(O)CCOC1 ZINC000592873983 652606622 /nfs/dbraw/zinc/60/66/22/652606622.db2.gz ISNMYDNKQUYVSD-HNNXBMFYSA-N 0 0 387.230 2.265 20 5 GEBDRN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@]1(O)CCOC1 ZINC000592873984 652606679 /nfs/dbraw/zinc/60/66/79/652606679.db2.gz ISNMYDNKQUYVSD-OAHLLOKOSA-N 0 0 387.230 2.265 20 5 GEBDRN O=c1c(Br)cncn1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000760437734 652609703 /nfs/dbraw/zinc/60/97/03/652609703.db2.gz IBSWPFWXZXPCNU-UHFFFAOYSA-N 0 0 378.142 2.012 20 5 GEBDRN CS(=O)(=O)c1cc(C(=O)OCc2cnc(Cl)s2)cc([N+](=O)[O-])c1 ZINC000760501612 652611545 /nfs/dbraw/zinc/61/15/45/652611545.db2.gz CJQUGRGRIKLPCQ-UHFFFAOYSA-N 0 0 376.799 2.465 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)nc1 ZINC000593523971 652623969 /nfs/dbraw/zinc/62/39/69/652623969.db2.gz UWJXXMYEQWGWSK-UHFFFAOYSA-N 0 0 382.829 2.154 20 5 GEBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H](C)S1=O ZINC000760914165 652627557 /nfs/dbraw/zinc/62/75/57/652627557.db2.gz VHFNSBBCVBACKP-IUCAKERBSA-N 0 0 375.244 2.339 20 5 GEBDRN O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594385329 652646626 /nfs/dbraw/zinc/64/66/26/652646626.db2.gz KFEVZJXPILMJBR-NSHDSACASA-N 0 0 396.201 2.257 20 5 GEBDRN CCN(CC)S(=O)(=O)c1ccc(OC(=O)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000762067489 652670731 /nfs/dbraw/zinc/67/07/31/652670731.db2.gz HSLSBBVXLPDCAL-LLVKDONJSA-N 0 0 388.467 2.284 20 5 GEBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC[C@@H]1CCSC1 ZINC000762129357 652675113 /nfs/dbraw/zinc/67/51/13/652675113.db2.gz BQOHPOCQIVLLDY-QWRGUYRKSA-N 0 0 388.467 2.336 20 5 GEBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2(O)CCC(F)(F)CC2)c1C ZINC000595375149 652717071 /nfs/dbraw/zinc/71/70/71/652717071.db2.gz OKMXSAHZGMFPML-UHFFFAOYSA-N 0 0 378.397 2.430 20 5 GEBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC1(O)CCC(F)(F)CC1 ZINC000595376051 652717488 /nfs/dbraw/zinc/71/74/88/652717488.db2.gz WBDIKQVSSWQWBL-UHFFFAOYSA-N 0 0 384.788 2.467 20 5 GEBDRN C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595399946 652722770 /nfs/dbraw/zinc/72/27/70/652722770.db2.gz YUEOSVBBRPKRMF-ZYHUDNBSSA-N 0 0 382.360 2.466 20 5 GEBDRN COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000595414881 652726361 /nfs/dbraw/zinc/72/63/61/652726361.db2.gz HDWHQZUKCOWGEM-YMTOWFKASA-N 0 0 380.369 2.037 20 5 GEBDRN Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1[N+](=O)[O-] ZINC000763148157 652741003 /nfs/dbraw/zinc/74/10/03/652741003.db2.gz OSOLPNHKZMNLHH-KWCYVHTRSA-N 0 0 381.479 2.338 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000763155771 652741740 /nfs/dbraw/zinc/74/17/40/652741740.db2.gz 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ZINC000597842631 652791914 /nfs/dbraw/zinc/79/19/14/652791914.db2.gz NBXOPSSOJUWNQI-HNNXBMFYSA-N 0 0 397.229 2.211 20 5 GEBDRN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000764246707 652792147 /nfs/dbraw/zinc/79/21/47/652792147.db2.gz GDHJBQJYZMNCPI-NSHDSACASA-N 0 0 379.722 2.483 20 5 GEBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)cc1SC ZINC000598183935 652802550 /nfs/dbraw/zinc/80/25/50/652802550.db2.gz JSUWDUNGQFUPBI-UWVGGRQHSA-N 0 0 388.467 2.021 20 5 GEBDRN CCOC(=O)C12CC(C1)CN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598446551 652816032 /nfs/dbraw/zinc/81/60/32/652816032.db2.gz KCEFYKKNOSSVQZ-UHFFFAOYSA-N 0 0 397.225 2.454 20 5 GEBDRN Cn1cc(C(=O)Nn2cc(Br)cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000765085263 652822498 /nfs/dbraw/zinc/82/24/98/652822498.db2.gz KINQBHKOJDDUCA-UHFFFAOYSA-N 0 0 391.185 2.338 20 5 GEBDRN Cn1cc([C@@H]2CSCCN2c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000598627182 652825701 /nfs/dbraw/zinc/82/57/01/652825701.db2.gz 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ZINC000765725605 652850060 /nfs/dbraw/zinc/85/00/60/652850060.db2.gz QBSBLCCAFUVGGD-GFCCVEGCSA-N 0 0 388.858 2.418 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CCCOC2)c(Br)c1 ZINC000599365303 652864479 /nfs/dbraw/zinc/86/44/79/652864479.db2.gz YLHOWRGOXXNXEJ-JTQLQIEISA-N 0 0 393.259 2.452 20 5 GEBDRN COC(=O)c1ccc(S(=O)(=O)N2CCCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000599400615 652866825 /nfs/dbraw/zinc/86/68/25/652866825.db2.gz AAMYAZLRIUMADD-UHFFFAOYSA-N 0 0 378.353 2.191 20 5 GEBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCN1CC(F)F ZINC000599398017 652866870 /nfs/dbraw/zinc/86/68/70/652866870.db2.gz RDMOSQFJRXPUAQ-VIFPVBQESA-N 0 0 383.804 2.256 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)N(C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000599408674 652868549 /nfs/dbraw/zinc/86/85/49/652868549.db2.gz BFPHGXFRFWCLQL-UHFFFAOYSA-N 0 0 393.259 2.323 20 5 GEBDRN COC(=O)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000766176819 652869790 /nfs/dbraw/zinc/86/97/90/652869790.db2.gz 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C[C@H]1NC(=O)CC[C@@H]1Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000440532899 532716795 /nfs/dbraw/zinc/71/67/95/532716795.db2.gz HMJMPANCWZIHPS-KCJUWKMLSA-N 0 0 379.214 2.406 20 5 GEBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC000440664388 532720351 /nfs/dbraw/zinc/72/03/51/532720351.db2.gz LDUGILFHLRGTEK-LSDHHAIUSA-N 0 0 384.479 2.499 20 5 GEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(I)cc1 ZINC000495266618 532720461 /nfs/dbraw/zinc/72/04/61/532720461.db2.gz XBLAUMULSQRABP-UHFFFAOYSA-N 0 0 386.149 2.343 20 5 GEBDRN O=[N+]([O-])c1cnc(NCCNS(=O)(=O)c2ccc(F)cc2F)c(Cl)c1 ZINC000440676243 532721008 /nfs/dbraw/zinc/72/10/08/532721008.db2.gz TYYYNZSTJRFMJH-UHFFFAOYSA-N 0 0 392.771 2.312 20 5 GEBDRN CCN(CC)C(=O)N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000611226990 532721096 /nfs/dbraw/zinc/72/10/96/532721096.db2.gz HOAGANLNLQPJBS-UHFFFAOYSA-N 0 0 386.250 2.336 20 5 GEBDRN O=c1c(Br)cc([N+](=O)[O-])cn1C[C@@H](O)COCc1ccccc1 ZINC000409444775 532721928 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532767000 /nfs/dbraw/zinc/76/70/00/532767000.db2.gz NUIARNDDPGUZMZ-JTQLQIEISA-N 0 0 385.833 2.243 20 5 GEBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000584569218 532769459 /nfs/dbraw/zinc/76/94/59/532769459.db2.gz HSDGMXHBSZYARO-GFCCVEGCSA-N 0 0 389.861 2.099 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@](O)(C(F)F)C1 ZINC000451793435 532770387 /nfs/dbraw/zinc/77/03/87/532770387.db2.gz VOMSSYHXZVMXIB-NSHDSACASA-N 0 0 391.179 2.292 20 5 GEBDRN Cc1cc(NC[C@](C)(O)CN2CCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000302712449 532772798 /nfs/dbraw/zinc/77/27/98/532772798.db2.gz XIFFOYUQCCUVJE-HNNXBMFYSA-N 0 0 388.262 2.161 20 5 GEBDRN Cc1cc(N2CCc3nn(C)c(=O)cc3C2)c(Br)cc1[N+](=O)[O-] ZINC000302703517 532772911 /nfs/dbraw/zinc/77/29/11/532772911.db2.gz VORJALWBGAOEQD-UHFFFAOYSA-N 0 0 379.214 2.322 20 5 GEBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2nccnc2c1Br ZINC000589029879 532773620 /nfs/dbraw/zinc/77/36/20/532773620.db2.gz AABFCWYUDDNAPD-UHFFFAOYSA-N 0 0 377.158 2.286 20 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392.372 2.332 20 5 GEBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000826498759 608668617 /nfs/dbraw/zinc/66/86/17/608668617.db2.gz IPKNAKJJXQOWTO-NSHDSACASA-N 0 0 381.400 2.085 20 5 GEBDRN CCS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000825669456 609169867 /nfs/dbraw/zinc/16/98/67/609169867.db2.gz YEAARFJOCMZGDC-UHFFFAOYSA-N 0 0 388.409 2.181 20 5 GEBDRN Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000826296041 609283515 /nfs/dbraw/zinc/28/35/15/609283515.db2.gz HOJVBFNIUBGHCF-NSHDSACASA-N 0 0 396.363 2.267 20 5 GEBDRN O=C(CCCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])OCc1ccccc1 ZINC000826406128 609391000 /nfs/dbraw/zinc/39/10/00/609391000.db2.gz JIHBCNSFWZGWKA-UHFFFAOYSA-N 0 0 397.395 2.496 20 5 GEBDRN O=C1[C@H](Sc2ccc([N+](=O)[O-])cn2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477963 609409782 /nfs/dbraw/zinc/40/97/82/609409782.db2.gz QIYSJBRBKQAVPW-CQSZACIVSA-N 0 0 397.420 2.458 20 5 GEBDRN Cc1cc(-c2nn[nH]n2)cc(C)c1OC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000826242915 609492694 /nfs/dbraw/zinc/49/26/94/609492694.db2.gz LYHJSWXHLDEARY-AWEZNQCLSA-N 0 0 385.380 2.210 20 5 GEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000446498340 649982373 /nfs/dbraw/zinc/98/23/73/649982373.db2.gz LEAGPYYVYUQDTI-UHFFFAOYSA-N 0 0 384.439 2.065 20 5 GEBDRN O=C(c1ccccc1)N1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000826474390 609607597 /nfs/dbraw/zinc/60/75/97/609607597.db2.gz NPEJSCFAKJVLRN-UHFFFAOYSA-N 0 0 393.407 2.492 20 5 GEBDRN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1S(N)(=O)=O ZINC000446716985 649987601 /nfs/dbraw/zinc/98/76/01/649987601.db2.gz ONFIPWJABMJOSA-UHFFFAOYSA-N 0 0 383.813 2.134 20 5 GEBDRN COC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000446965015 649991187 /nfs/dbraw/zinc/99/11/87/649991187.db2.gz HEDHFCDOSCRQBA-NSHDSACASA-N 0 0 384.332 2.090 20 5 GEBDRN COCCN([C@H]1CCCSC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000447936155 650011135 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CCOC(=O)c1ccnc(NCc2nn(C)cc2Br)c1[N+](=O)[O-] ZINC000450728532 650070047 /nfs/dbraw/zinc/07/00/47/650070047.db2.gz PEHVGZUHYMLWRC-UHFFFAOYSA-N 0 0 384.190 2.275 20 5 GEBDRN CS(=O)(=O)C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000450801703 650070693 /nfs/dbraw/zinc/07/06/93/650070693.db2.gz SDPQGKMFCFBRQE-VIFPVBQESA-N 0 0 378.248 2.156 20 5 GEBDRN CN(C)S(=O)(=O)N[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000450815031 650070948 /nfs/dbraw/zinc/07/09/48/650070948.db2.gz RQSDQHNYCZUXLD-GFCCVEGCSA-N 0 0 391.881 2.010 20 5 GEBDRN NC(=O)[C@@H]1CC[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000450924287 650075807 /nfs/dbraw/zinc/07/58/07/650075807.db2.gz MDXKTUMFSBAXQN-SCZZXKLOSA-N 0 0 379.214 2.393 20 5 GEBDRN COc1c(S(=O)(=O)N2CC[C@H](F)C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000451652263 650128915 /nfs/dbraw/zinc/12/89/15/650128915.db2.gz JBRWBDKPDUUYED-QMMMGPOBSA-N 0 0 397.222 2.407 20 5 GEBDRN CS(=O)(=O)C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451662216 650130401 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375.472 2.034 20 5 GEBDRN CCOC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451843997 650146825 /nfs/dbraw/zinc/14/68/25/650146825.db2.gz YIYKYXGFUNCQOE-MNOVXSKESA-N 0 0 376.456 2.365 20 5 GEBDRN CN(C)C(=O)C1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000451772160 650141139 /nfs/dbraw/zinc/14/11/39/650141139.db2.gz JRJFILATOJMCKG-UHFFFAOYSA-N 0 0 389.861 2.318 20 5 GEBDRN CN1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000451876294 650149322 /nfs/dbraw/zinc/14/93/22/650149322.db2.gz FAKZFEGFEHVMPM-PELKAZGASA-N 0 0 380.253 2.226 20 5 GEBDRN CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](O)CC ZINC000451976115 650160070 /nfs/dbraw/zinc/16/00/70/650160070.db2.gz MHHYCFQCGVBOOE-KOLCDFICSA-N 0 0 381.248 2.185 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451980981 650160851 /nfs/dbraw/zinc/16/08/51/650160851.db2.gz FIJMNBPZPLMTAC-WRWORJQWSA-N 0 0 388.751 2.182 20 5 GEBDRN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000451980818 650160883 /nfs/dbraw/zinc/16/08/83/650160883.db2.gz DYQVWZZJVXWFGJ-MFKMUULPSA-N 0 0 382.360 2.145 20 5 GEBDRN C[C@@H]1CN(CC(F)(F)F)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000452010674 650165649 /nfs/dbraw/zinc/16/56/49/650165649.db2.gz QUODIKYOBQGXPL-LLVKDONJSA-N 0 0 381.376 2.100 20 5 GEBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC)CNS(C)(=O)=O ZINC000452541294 650189040 /nfs/dbraw/zinc/18/90/40/650189040.db2.gz KRGQXHJWFIMMQU-LLVKDONJSA-N 0 0 389.499 2.155 20 5 GEBDRN Cn1cc(Br)c(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000452767638 650197141 /nfs/dbraw/zinc/19/71/41/650197141.db2.gz RBCUKRGYBBQJSI-UHFFFAOYSA-N 0 0 395.213 2.370 20 5 GEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000454806779 650279400 /nfs/dbraw/zinc/27/94/00/650279400.db2.gz WBKWUKZSFDVXAA-ZIAGYGMSSA-N 0 0 387.845 2.109 20 5 GEBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000456343120 650337379 /nfs/dbraw/zinc/33/73/79/650337379.db2.gz QVWSUHSPRNMQHM-MRXNPFEDSA-N 0 0 384.479 2.358 20 5 GEBDRN C[C@@H](Cc1cnn(C)c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000456485758 650342990 /nfs/dbraw/zinc/34/29/90/650342990.db2.gz MPCIXRFULIIHFM-JTQLQIEISA-N 0 0 381.230 2.381 20 5 GEBDRN CC(C)(C)c1csc(NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)n1 ZINC000456532079 650347034 /nfs/dbraw/zinc/34/70/34/650347034.db2.gz FKDQSAQANWUDOL-UHFFFAOYSA-N 0 0 384.439 2.249 20 5 GEBDRN CS(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000456823535 650363924 /nfs/dbraw/zinc/36/39/24/650363924.db2.gz IXQVZMZAMJQTQP-INIZCTEOSA-N 0 0 384.479 2.358 20 5 GEBDRN CN(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000456919350 650367519 /nfs/dbraw/zinc/36/75/19/650367519.db2.gz LFPPJMUETJHVGG-NSHDSACASA-N 0 0 399.245 2.233 20 5 GEBDRN O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])cc1Br ZINC000457280043 650375699 /nfs/dbraw/zinc/37/56/99/650375699.db2.gz QAJILVDPCVTJLH-RNCFNFMXSA-N 0 0 382.214 2.241 20 5 GEBDRN COC(=O)Cn1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000541286024 650380988 /nfs/dbraw/zinc/38/09/88/650380988.db2.gz OCHRJSIIYWPGKK-UHFFFAOYSA-N 0 0 384.801 2.349 20 5 GEBDRN CNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501095784 650388163 /nfs/dbraw/zinc/38/81/63/650388163.db2.gz RVZQKDHIDXTCSJ-SECBINFHSA-N 0 0 385.218 2.347 20 5 GEBDRN Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])c(C)c(Br)c2=O)no1 ZINC000543119391 650418640 /nfs/dbraw/zinc/41/86/40/650418640.db2.gz IFTVBAXSSSLBIN-UHFFFAOYSA-N 0 0 385.174 2.153 20 5 GEBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000503847461 650423127 /nfs/dbraw/zinc/42/31/27/650423127.db2.gz RNVGGHFAUQIPJH-INIZCTEOSA-N 0 0 384.841 2.444 20 5 GEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000504301973 650429739 /nfs/dbraw/zinc/42/97/39/650429739.db2.gz GFSFJKUXAYJTQX-SNVBAGLBSA-N 0 0 381.186 2.344 20 5 GEBDRN Cc1sccc1CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000506891194 650451480 /nfs/dbraw/zinc/45/14/80/650451480.db2.gz DAPBZMNGCBYNJH-UHFFFAOYSA-N 0 0 381.479 2.471 20 5 GEBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC000461355963 650452812 /nfs/dbraw/zinc/45/28/12/650452812.db2.gz WPCHAZLQDAVSCW-MXWKQRLJSA-N 0 0 390.845 2.050 20 5 GEBDRN Cc1n[nH]c(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1[N+](=O)[O-] ZINC000506669936 650449136 /nfs/dbraw/zinc/44/91/36/650449136.db2.gz OBIOEKPZSPHATA-VIFPVBQESA-N 0 0 385.149 2.391 20 5 GEBDRN COCc1nc(C[S@@](=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000507677541 650466856 /nfs/dbraw/zinc/46/68/56/650466856.db2.gz MCJDTROSUMWTDE-VWLOTQADSA-N 0 0 383.451 2.475 20 5 GEBDRN C[C@@H]1CN(C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000507907277 650469679 /nfs/dbraw/zinc/46/96/79/650469679.db2.gz UPOZRDJYKFZOMZ-VHSXEESVSA-N 0 0 381.376 2.327 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccn(-c3ccccc3)n2)s1 ZINC000508015117 650472489 /nfs/dbraw/zinc/47/24/89/650472489.db2.gz IYPZKPGSCIJSSL-UHFFFAOYSA-N 0 0 378.435 2.363 20 5 GEBDRN CCN([C@H]1CCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000462303193 650474375 /nfs/dbraw/zinc/47/43/75/650474375.db2.gz ZQWKPKGVKSBTTD-JTQLQIEISA-N 0 0 379.232 2.157 20 5 GEBDRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000462357900 650477160 /nfs/dbraw/zinc/47/71/60/650477160.db2.gz KEJGLBWORNTXJR-QMMMGPOBSA-N 0 0 389.231 2.130 20 5 GEBDRN COC(=O)CN(C(C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462439002 650479504 /nfs/dbraw/zinc/47/95/04/650479504.db2.gz WBKDQRPBVNXAIU-UHFFFAOYSA-N 0 0 385.225 2.474 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)c1cccc2c1OCO2 ZINC000509219505 650490305 /nfs/dbraw/zinc/49/03/05/650490305.db2.gz MDRVUGWJXJEWDZ-UHFFFAOYSA-N 0 0 384.797 2.498 20 5 GEBDRN Cn1cc([C@H]2OCCC[C@@H]2Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000509608220 650497283 /nfs/dbraw/zinc/49/72/83/650497283.db2.gz KTQKPMNJSDWEJG-GXFFZTMASA-N 0 0 386.455 2.126 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378.834 2.027 20 5 GEBDRN Cn1c(SCc2ccc([N+](=O)[O-])cc2F)nnc1[C@@H]1CCS(=O)(=O)C1 ZINC000476499034 650551618 /nfs/dbraw/zinc/55/16/18/650551618.db2.gz HYVVYAYJWJTBKR-SNVBAGLBSA-N 0 0 386.430 2.057 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000513079898 650557670 /nfs/dbraw/zinc/55/76/70/650557670.db2.gz JKBGAFBGUUNPSS-MGCOHNPYSA-N 0 0 393.259 2.248 20 5 GEBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccncc1O ZINC000513604695 650565933 /nfs/dbraw/zinc/56/59/33/650565933.db2.gz LBYLDRWJTXQIFP-UHFFFAOYSA-N 0 0 399.144 2.283 20 5 GEBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)Oc1ccc(Br)cc1 ZINC000477018007 650566225 /nfs/dbraw/zinc/56/62/25/650566225.db2.gz IFEWEYZFZZDSJV-VIFPVBQESA-N 0 0 383.202 2.288 20 5 GEBDRN Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000514629226 650575233 /nfs/dbraw/zinc/57/52/33/650575233.db2.gz JEOKDKFFRLPQPS-UHFFFAOYSA-N 0 0 383.813 2.474 20 5 GEBDRN O=[N+]([O-])c1cncc(I)c1N1CC[C@H](OC(F)F)C1 ZINC000515621208 650593116 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Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cccc1[N+](=O)[O-] ZINC000763147477 652740286 /nfs/dbraw/zinc/74/02/86/652740286.db2.gz FXKVCTBTNJEXQB-KWCYVHTRSA-N 0 0 381.479 2.338 20 5 GEBDRN COC(=O)[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000596050631 652752359 /nfs/dbraw/zinc/75/23/59/652752359.db2.gz ITOPDJIAQYLVAZ-ZDUSSCGKSA-N 0 0 383.202 2.058 20 5 GEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000763377367 652754054 /nfs/dbraw/zinc/75/40/54/652754054.db2.gz ZSPXAOJWYPGJBG-UHFFFAOYSA-N 0 0 398.750 2.486 20 5 GEBDRN Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000763633197 652765593 /nfs/dbraw/zinc/76/55/93/652765593.db2.gz BNRUOBPENISZRN-GFCCVEGCSA-N 0 0 382.170 2.079 20 5 GEBDRN CO[C@@]1(CO)CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000596899071 652765640 /nfs/dbraw/zinc/76/56/40/652765640.db2.gz ASFVEUBHSJOTLW-AWEZNQCLSA-N 0 0 388.218 2.363 20 5 GEBDRN CS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597092153 652774964 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O=C(CN1CCc2ccccc21)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826412026 608163759 /nfs/dbraw/zinc/16/37/59/608163759.db2.gz YNGIDBXIUOJHKZ-UHFFFAOYSA-N 0 0 399.798 2.430 20 5 GEBDRN CC[C@H](Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H](O)C(F)(F)F ZINC000825149055 608232129 /nfs/dbraw/zinc/23/21/29/608232129.db2.gz UZCOPNJQYCRZBU-GWCFXTLKSA-N 0 0 397.317 2.437 20 5 GEBDRN Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[nH]n3)cc2F)cc([N+](=O)[O-])c1F ZINC000826272737 608247490 /nfs/dbraw/zinc/24/74/90/608247490.db2.gz YWJBZHPETMFXMI-UHFFFAOYSA-N 0 0 397.319 2.129 20 5 GEBDRN O=[N+]([O-])c1ccc2nc(N3CCC[C@H](c4cc[nH]n4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000826499594 608371779 /nfs/dbraw/zinc/37/17/79/608371779.db2.gz ORTZWXBCSYALQZ-NSHDSACASA-N 0 0 391.395 2.430 20 5 GEBDRN COC(=O)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000826112391 608392492 /nfs/dbraw/zinc/39/24/92/608392492.db2.gz ZHAZHYQZXSGDJJ-BZNIZROVSA-N 0 0 382.380 2.340 20 5 GEBDRN 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ZINC000450878558 650073341 /nfs/dbraw/zinc/07/33/41/650073341.db2.gz IUYURSCDFFBDBB-NSHDSACASA-N 0 0 396.241 3.024 20 5 GEBDRN COc1ccc(C[C@H](CO)CNc2ccc([N+](=O)[O-])cn2)cc1Br ZINC000450843826 650072408 /nfs/dbraw/zinc/07/24/08/650072408.db2.gz LCSLOHIJHXNRGU-LBPRGKRZSA-N 0 0 396.241 3.024 20 5 GEBDRN Cn1ccnc1[C@@H]1C[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000450947558 650076113 /nfs/dbraw/zinc/07/61/13/650076113.db2.gz CIYHRPXSQXUWTE-CABZTGNLSA-N 0 0 382.218 2.240 20 5 GEBDRN CCOC(=O)CC1(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000451379573 650108958 /nfs/dbraw/zinc/10/89/58/650108958.db2.gz VUTVELGPTBLBLL-UHFFFAOYSA-N 0 0 390.845 2.196 20 5 GEBDRN O=[N+]([O-])c1ccn(C2CCN(S(=O)(=O)C[C@@H]3CCCC3(F)F)CC2)n1 ZINC000451461743 650117327 /nfs/dbraw/zinc/11/73/27/650117327.db2.gz ULGOLZHROWWEKT-NSHDSACASA-N 0 0 378.401 2.193 20 5 GEBDRN C[C@H](CCCO)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000451682516 650132859 /nfs/dbraw/zinc/13/28/59/650132859.db2.gz ADAFFMULZABLDJ-SECBINFHSA-N 0 0 381.248 2.044 20 5 GEBDRN CS(=O)(=O)C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451662217 650130461 /nfs/dbraw/zinc/13/04/61/650130461.db2.gz UNLNWCWOFSCQOV-LBPRGKRZSA-N 0 0 389.861 2.086 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)NCC2=CCOCC2)cc1[N+](=O)[O-] ZINC000451674135 650132013 /nfs/dbraw/zinc/13/20/13/650132013.db2.gz MQIQTULBWQMSEN-UHFFFAOYSA-N 0 0 391.243 2.291 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000451718331 650135338 /nfs/dbraw/zinc/13/53/38/650135338.db2.gz FEVXUUWVVTXQKH-VIFPVBQESA-N 0 0 395.275 2.495 20 5 GEBDRN COC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451838552 650146391 /nfs/dbraw/zinc/14/63/91/650146391.db2.gz MHOOFJCTPXKHHD-MNOVXSKESA-N 0 0 376.818 2.258 20 5 GEBDRN CO[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000451850312 650147187 /nfs/dbraw/zinc/14/71/87/650147187.db2.gz LIUKUFSTIDDCEG-BXKDBHETSA-N 0 0 393.259 2.403 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC23CCOCC3)c(C(F)(F)F)c1 ZINC000451886038 650150258 /nfs/dbraw/zinc/15/02/58/650150258.db2.gz CNXMKTWSOZBQRT-GFCCVEGCSA-N 0 0 380.344 2.461 20 5 GEBDRN Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000451980813 650160797 /nfs/dbraw/zinc/16/07/97/650160797.db2.gz DYQVWZZJVXWFGJ-GWCFXTLKSA-N 0 0 382.360 2.145 20 5 GEBDRN COc1c(F)cc(S(=O)(=O)N(C)[C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000451944302 650156125 /nfs/dbraw/zinc/15/61/25/650156125.db2.gz GIHYDDJPVSFRHW-SNVBAGLBSA-N 0 0 378.422 2.160 20 5 GEBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451994158 650163131 /nfs/dbraw/zinc/16/31/31/650163131.db2.gz WAZOTPIIAFGDRU-GXFFZTMASA-N 0 0 382.360 2.145 20 5 GEBDRN O=C(CN1CC[C@@H](CCCO)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452133346 650175588 /nfs/dbraw/zinc/17/55/88/650175588.db2.gz RXBGHFRIGSABFZ-LLVKDONJSA-N 0 0 386.246 2.390 20 5 GEBDRN CO[C@H]1COCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000452624049 650191314 /nfs/dbraw/zinc/19/13/14/650191314.db2.gz VVPMITILBXCNGT-YGRLFVJLSA-N 0 0 387.230 2.447 20 5 GEBDRN CO[C@@H]1COCC[C@@H]1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000452633604 650192012 /nfs/dbraw/zinc/19/20/12/650192012.db2.gz LZOCNPZZCLBRQU-QMTHXVAHSA-N 0 0 387.230 2.447 20 5 GEBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000453028984 650204294 /nfs/dbraw/zinc/20/42/94/650204294.db2.gz RAFDPCSNPORRAK-NVBFEUDRSA-N 0 0 399.241 2.359 20 5 GEBDRN CS[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000453857569 650231581 /nfs/dbraw/zinc/23/15/81/650231581.db2.gz MLXNLFGGOVOQQK-NSHDSACASA-N 0 0 388.243 2.260 20 5 GEBDRN Cc1c(NC(=O)NC[C@@]2(C)CCC(=O)N2)cc(Br)cc1[N+](=O)[O-] ZINC000455354275 650300057 /nfs/dbraw/zinc/30/00/57/650300057.db2.gz MCSJQGWUKAQQNF-CQSZACIVSA-N 0 0 385.218 2.456 20 5 GEBDRN Cc1c(C(=O)Nc2scnc2C(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000456453381 650340578 /nfs/dbraw/zinc/34/05/78/650340578.db2.gz LEQYQLFXPJXHEO-UHFFFAOYSA-N 0 0 384.439 2.383 20 5 GEBDRN 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GEBDRN CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000451723199 650135859 /nfs/dbraw/zinc/13/58/59/650135859.db2.gz IJWIXIWVAPIDCF-ZANVPECISA-N 0 0 393.259 2.139 20 5 GEBDRN COC(=O)[C@@H](CC(C)C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451729216 650136435 /nfs/dbraw/zinc/13/64/35/650136435.db2.gz UXMVJSGQBXFUBA-GFCCVEGCSA-N 0 0 378.834 2.456 20 5 GEBDRN CCN(C)C(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000451733835 650137296 /nfs/dbraw/zinc/13/72/96/650137296.db2.gz KKGOJPXTYGEEQF-ZDUSSCGKSA-N 0 0 377.850 2.029 20 5 GEBDRN O=C(CN1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451901503 650151425 /nfs/dbraw/zinc/15/14/25/650151425.db2.gz HCHXEIPODHNBFM-OQPBUACISA-N 0 0 381.738 2.432 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000451985247 650161326 /nfs/dbraw/zinc/16/13/26/650161326.db2.gz WKDBNWQZSHKZRX-LBPRGKRZSA-N 0 0 393.259 2.369 20 5 GEBDRN CC1(C)COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451984041 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383.857 2.332 20 5 GEBDRN COCC(COC)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000456263994 650335562 /nfs/dbraw/zinc/33/55/62/650335562.db2.gz SZEYNTRZWOKIFS-UHFFFAOYSA-N 0 0 382.360 2.483 20 5 GEBDRN CSc1cccc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1[N+](=O)[O-] ZINC000456326716 650337145 /nfs/dbraw/zinc/33/71/45/650337145.db2.gz GRRBDPGFPVFGHW-INIZCTEOSA-N 0 0 384.479 2.358 20 5 GEBDRN CN(C)c1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)ncc1Br ZINC000456654472 650353255 /nfs/dbraw/zinc/35/32/55/650353255.db2.gz FHGOYGGZNQSWQW-UHFFFAOYSA-N 0 0 397.233 2.389 20 5 GEBDRN CC[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC ZINC000457002524 650370462 /nfs/dbraw/zinc/37/04/62/650370462.db2.gz WSFPQWPKJHNWTD-VIFPVBQESA-N 0 0 379.360 2.347 20 5 GEBDRN O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000457294349 650376121 /nfs/dbraw/zinc/37/61/21/650376121.db2.gz XAMSILKTMFRQGJ-HTQZYQBOSA-N 0 0 388.243 2.302 20 5 GEBDRN CCOC1CC(O)(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501077392 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COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@@H]1C ZINC000851824354 654184351 /nfs/dbraw/zinc/18/43/51/654184351.db2.gz GAMUPQJWBCPQFX-WDEREUQCSA-N 0 0 390.845 2.376 20 5 GEBDRN CN(C)c1noc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)n1 ZINC000801283167 654189236 /nfs/dbraw/zinc/18/92/36/654189236.db2.gz XNJVEQJNBHFXOY-UHFFFAOYSA-N 0 0 389.137 2.302 20 5 GEBDRN Cc1cc(OS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000831522100 654189903 /nfs/dbraw/zinc/18/99/03/654189903.db2.gz ZGEGOYQFWDOPNS-SNVBAGLBSA-N 0 0 397.858 2.090 20 5 GEBDRN Cc1cc(OS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000831522099 654189945 /nfs/dbraw/zinc/18/99/45/654189945.db2.gz ZGEGOYQFWDOPNS-JTQLQIEISA-N 0 0 397.858 2.090 20 5 GEBDRN O=C(NC1CC(CCO)C1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000889980199 654190102 /nfs/dbraw/zinc/19/01/02/654190102.db2.gz LLLVZQXGMWAEDE-UHFFFAOYSA-N 0 0 390.177 2.090 20 5 GEBDRN CCOC(=O)C12CC(C1)CN2S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000851851300 654192000 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GEBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCC1(c2ccc(Br)cc2)CC1 ZINC000834313563 654315058 /nfs/dbraw/zinc/31/50/58/654315058.db2.gz PWECDYPWJDZGKH-UHFFFAOYSA-N 0 0 379.214 2.402 20 5 GEBDRN CC(C)(C)n1nnc(CCOc2cc(Br)cc([N+](=O)[O-])c2N)n1 ZINC000853700229 654315452 /nfs/dbraw/zinc/31/54/52/654315452.db2.gz ARFPXJYEGCQDDM-UHFFFAOYSA-N 0 0 385.222 2.303 20 5 GEBDRN CO[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000853759407 654319280 /nfs/dbraw/zinc/31/92/80/654319280.db2.gz WCRPNZNJDKOZCC-NOZJJQNGSA-N 0 0 380.369 2.055 20 5 GEBDRN COC[C@H](CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000853756905 654319525 /nfs/dbraw/zinc/31/95/25/654319525.db2.gz BTDPEXKRNRUPPJ-VIFPVBQESA-N 0 0 386.348 2.352 20 5 GEBDRN CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCCN(C)C1=O ZINC000872270275 654320815 /nfs/dbraw/zinc/32/08/15/654320815.db2.gz HADTWARTMNZPDG-GFCCVEGCSA-N 0 0 384.230 2.440 20 5 GEBDRN O=C(c1cnc(Br)s1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000904917012 654324553 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ZINC000922436007 654392745 /nfs/dbraw/zinc/39/27/45/654392745.db2.gz HEQMSVZIONTHDZ-QMTHXVAHSA-N 0 0 396.241 2.406 20 5 GEBDRN C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cn(C)nn1 ZINC000922635259 654404918 /nfs/dbraw/zinc/40/49/18/654404918.db2.gz RTULZLUWGLMTJF-QMMMGPOBSA-N 0 0 387.181 2.179 20 5 GEBDRN Cc1c(Br)cc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000855504900 654422704 /nfs/dbraw/zinc/42/27/04/654422704.db2.gz FTMWWTQLFDLXIL-NSHDSACASA-N 0 0 398.213 2.332 20 5 GEBDRN C[C@@H]1CS(=O)(=O)CCCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000906461411 654440884 /nfs/dbraw/zinc/44/08/84/654440884.db2.gz YIICDLWXEPOIOM-SECBINFHSA-N 0 0 380.344 2.263 20 5 GEBDRN C[C@H](O)[C@H]1CCCN1C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000855869415 654445705 /nfs/dbraw/zinc/44/57/05/654445705.db2.gz NTZOIVNHQGDJEV-CMPLNLGQSA-N 0 0 386.246 2.165 20 5 GEBDRN O=C1CC[C@H](Nc2c3ccc(Br)cc3ncc2[N+](=O)[O-])CCN1 ZINC000894207102 654455705 /nfs/dbraw/zinc/45/57/05/654455705.db2.gz SSQLMSAROKAYBH-JTQLQIEISA-N 0 0 379.214 2.408 20 5 GEBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(N2CCOC2=O)CC1 ZINC000856295092 654475626 /nfs/dbraw/zinc/47/56/26/654475626.db2.gz QMAMIVOTFWFEMK-UHFFFAOYSA-N 0 0 398.213 2.414 20 5 GEBDRN Cn1c(=O)c([N+](=O)[O-])c(NCC[S@](=O)CC(F)(F)F)c2ccccc21 ZINC000894488508 654480347 /nfs/dbraw/zinc/48/03/47/654480347.db2.gz BXKFGJXFHNJNIG-VWLOTQADSA-N 0 0 377.344 2.170 20 5 GEBDRN O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1CCC(O)(CO)CC1 ZINC000894544311 654484802 /nfs/dbraw/zinc/48/48/02/654484802.db2.gz DBVKUIPOEFPJDJ-UHFFFAOYSA-N 0 0 382.214 2.229 20 5 GEBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@H](Cc3nccs3)C2)cc1 ZINC000908129814 654607001 /nfs/dbraw/zinc/60/70/01/654607001.db2.gz WZMVHTBPPHKGOA-CQSZACIVSA-N 0 0 381.479 2.488 20 5 GEBDRN CC[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H](C)S1(=O)=O ZINC000908194697 654611668 /nfs/dbraw/zinc/61/16/68/654611668.db2.gz KFMZANCTNNWROX-WPRPVWTQSA-N 0 0 378.809 2.425 20 5 GEBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H](C2OCCO2)C1 ZINC000927992043 654624759 /nfs/dbraw/zinc/62/47/59/654624759.db2.gz BZRYTZJJANRSIB-QMMMGPOBSA-N 0 0 389.177 2.331 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2C2CC2)c(Br)c1 ZINC000908412752 654627739 /nfs/dbraw/zinc/62/77/39/654627739.db2.gz VPEBMNYLWMWIES-JQWIXIFHSA-N 0 0 391.243 2.061 20 5 GEBDRN Cc1cc(S(=O)(=O)NCCOC2CCSCC2)c(F)cc1[N+](=O)[O-] ZINC000908452663 654630450 /nfs/dbraw/zinc/63/04/50/654630450.db2.gz QLHUDAZVADMGEU-UHFFFAOYSA-N 0 0 378.447 2.233 20 5 GEBDRN O=C(OC[C@@H]1C[C@H]2COC[C@@H]2O1)c1sc(Br)cc1[N+](=O)[O-] ZINC000909238654 654656447 /nfs/dbraw/zinc/65/64/47/654656447.db2.gz AQOPKBADHOZJTO-ZKWXMUAHSA-N 0 0 378.200 2.380 20 5 GEBDRN CC(=O)N1CCO[C@H](C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000909685275 654671308 /nfs/dbraw/zinc/67/13/08/654671308.db2.gz PTIVWTCXGRFNKG-LBPRGKRZSA-N 0 0 377.180 2.192 20 5 GEBDRN COC(=O)[C@H](NCc1c(Br)cccc1[N+](=O)[O-])c1ccnn1C ZINC000930821904 654721121 /nfs/dbraw/zinc/72/11/21/654721121.db2.gz JIKUINOBCCZHAY-CYBMUJFWSA-N 0 0 383.202 2.095 20 5 GEBDRN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000911793324 654732108 /nfs/dbraw/zinc/73/21/08/654732108.db2.gz FPDNIJDBRTXDHS-XLPZGREQSA-N 0 0 388.193 2.234 20 5 GEBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000931275234 654736856 /nfs/dbraw/zinc/73/68/56/654736856.db2.gz NGYSCFDLWZTTDA-CYBMUJFWSA-N 0 0 381.479 2.358 20 5 GEBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000931343084 654738859 /nfs/dbraw/zinc/73/88/59/654738859.db2.gz PNTUQKDGRMEYSC-PSASIEDQSA-N 0 0 390.223 2.492 20 5 GEBDRN O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000931607906 654749052 /nfs/dbraw/zinc/74/90/52/654749052.db2.gz OUNMWMSECZPKAW-JQWIXIFHSA-N 0 0 389.271 2.224 20 5 GEBDRN COC1(OC)CCOC[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000931677102 654753238 /nfs/dbraw/zinc/75/32/38/654753238.db2.gz NGJVPWRSXJEHEK-CYBMUJFWSA-N 0 0 375.219 2.225 20 5 GEBDRN COC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000931691775 654753774 /nfs/dbraw/zinc/75/37/74/654753774.db2.gz PGUINNSVYXEETL-CQSZACIVSA-N 0 0 387.230 2.415 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCNC(=O)CC1(C)C ZINC000913062958 654780863 /nfs/dbraw/zinc/78/08/63/654780863.db2.gz SJPRXWUJQNBWHQ-UHFFFAOYSA-N 0 0 384.230 2.406 20 5 GEBDRN C[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1cccc(Br)c1 ZINC000913301673 654788003 /nfs/dbraw/zinc/78/80/03/654788003.db2.gz SJKSDSCWTXLNGH-VIFPVBQESA-N 0 0 397.185 2.124 20 5 GEBDRN Nc1c(Br)cc(C(=O)N2CCN(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000932761368 654788382 /nfs/dbraw/zinc/78/83/82/654788382.db2.gz ORBZQBMEVALBHH-UHFFFAOYSA-N 0 0 383.246 2.250 20 5 GEBDRN CS(=O)(=O)[C@@H]1CSCCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000933397341 654811808 /nfs/dbraw/zinc/81/18/08/654811808.db2.gz BDNNAFKKAUMOIZ-CQSZACIVSA-N 0 0 392.886 2.127 20 5 GEBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000935863888 654922192 /nfs/dbraw/zinc/92/21/92/654922192.db2.gz IEKJNSBRTWXMNU-UHFFFAOYSA-N 0 0 395.213 2.283 20 5 GEBDRN CN(C[C@H](O)CO)C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164667165 719367053 /nfs/dbraw/zinc/36/70/53/719367053.db2.gz JCNZPAXQVVEYFA-NSHDSACASA-N 0 0 388.758 2.040 20 5 GEBDRN COc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164805283 721538343 /nfs/dbraw/zinc/53/83/43/721538343.db2.gz LLRKNKCKCLECCM-AYBZRNKSSA-N 0 0 399.451 2.262 20 5 GEBDRN COc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164805289 721538356 /nfs/dbraw/zinc/53/83/56/721538356.db2.gz LLRKNKCKCLECCM-IEZWGBDMSA-N 0 0 399.451 2.262 20 5 GEBDRN Cc1cnc2n1CCN(C)C21CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001164919565 721821204 /nfs/dbraw/zinc/82/12/04/721821204.db2.gz SWANRSJIAXWFOC-UHFFFAOYSA-N 0 0 393.451 2.484 20 5 GEBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]21 ZINC001164942786 721935407 /nfs/dbraw/zinc/93/54/07/721935407.db2.gz MXRCTEKHVZJMKK-CABCVRRESA-N 0 0 393.831 2.338 20 5 GEBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C)cc(C)c3[N+](=O)[O-])C[C@H]21 ZINC001164941080 721948382 /nfs/dbraw/zinc/94/83/82/721948382.db2.gz DNHCFYOUJVNHHJ-SJORKVTESA-N 0 0 387.440 2.301 20 5 GEBDRN NC(=O)c1ccc(SCC(=O)Nc2nc3c(s2)CCC3)c([N+](=O)[O-])c1 ZINC000015636785 530563570 /nfs/dbraw/zinc/56/35/70/530563570.db2.gz CXMYYOUOWYTCIJ-UHFFFAOYSA-N 0 0 378.435 2.370 20 5 GEBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCc2c(Br)cccc2C1 ZINC000151644169 531513291 /nfs/dbraw/zinc/51/32/91/531513291.db2.gz IJDBSFRTVMJCNA-UHFFFAOYSA-N 0 0 394.229 2.322 20 5 GEBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCN2CCc3sccc3C2)c1 ZINC000152090895 531530618 /nfs/dbraw/zinc/53/06/18/531530618.db2.gz TZXRWSCCYIUAMD-UHFFFAOYSA-N 0 0 381.479 2.134 20 5 GEBDRN C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000152206288 531537311 /nfs/dbraw/zinc/53/73/11/531537311.db2.gz CSZOOBLEWMZLTI-ONGXEEELSA-N 0 0 393.259 2.281 20 5 GEBDRN COC(=O)[C@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000152261113 531539966 /nfs/dbraw/zinc/53/99/66/531539966.db2.gz BMLTVLZEMYHSGZ-OAHLLOKOSA-N 0 0 385.214 2.358 20 5 GEBDRN C[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008140606 531545156 /nfs/dbraw/zinc/54/51/56/531545156.db2.gz XFINNOOSSWZBAC-ZCFIWIBFSA-N 0 0 376.320 2.038 20 5 GEBDRN C[C@@]1(O)CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000152444644 531551658 /nfs/dbraw/zinc/55/16/58/531551658.db2.gz OHQODLXXRBEXKT-CYBMUJFWSA-N 0 0 390.177 2.186 20 5 GEBDRN CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000014316985 531563010 /nfs/dbraw/zinc/56/30/10/531563010.db2.gz CBEOXRUTMXPFOZ-SNVBAGLBSA-N 0 0 380.344 2.413 20 5 GEBDRN Cc1c(Br)cc(C(=O)N2CCOC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000152646996 531565987 /nfs/dbraw/zinc/56/59/87/531565987.db2.gz UXZHLVIXGBOXFM-CABZTGNLSA-N 0 0 387.230 2.278 20 5 GEBDRN CCSc1nnc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1 ZINC000014739987 531566479 /nfs/dbraw/zinc/56/64/79/531566479.db2.gz HIDIRJMUCXIWHJ-UHFFFAOYSA-N 0 0 388.452 2.214 20 5 GEBDRN COCCNc1nnc(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000023245672 531595688 /nfs/dbraw/zinc/59/56/88/531595688.db2.gz LUELVDWELIVQAO-UHFFFAOYSA-N 0 0 390.468 2.059 20 5 GEBDRN COC(=O)c1cccc(OCCn2cc(Br)cc([N+](=O)[O-])c2=O)c1 ZINC000153457693 531600062 /nfs/dbraw/zinc/60/00/62/531600062.db2.gz UDVITJPONOUAEC-UHFFFAOYSA-N 0 0 397.181 2.385 20 5 GEBDRN CN(CCNc1nc2sccn2c1[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000154375124 531623387 /nfs/dbraw/zinc/62/33/87/531623387.db2.gz ZGYLFCVALKSJPH-UHFFFAOYSA-N 0 0 387.468 2.098 20 5 GEBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(Cc2ccsc2)CC1 ZINC000027962998 531630024 /nfs/dbraw/zinc/63/00/24/531630024.db2.gz UETLBRBNLVDZKB-UHFFFAOYSA-N 0 0 381.479 2.471 20 5 GEBDRN O=C(NCCNS(=O)(=O)c1cccs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000154831416 531634902 /nfs/dbraw/zinc/63/49/02/531634902.db2.gz FFTUVBBUFVMXBF-UHFFFAOYSA-N 0 0 389.842 2.018 20 5 GEBDRN COCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000154913250 531642063 /nfs/dbraw/zinc/64/20/63/531642063.db2.gz NJEHMFSOVHPZJQ-UHFFFAOYSA-N 0 0 378.166 2.308 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000044894887 531688480 /nfs/dbraw/zinc/68/84/80/531688480.db2.gz ANZCHACNFDGZTD-UHFFFAOYSA-N 0 0 388.398 2.247 20 5 GEBDRN Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1S(N)(=O)=O ZINC000045355251 531691073 /nfs/dbraw/zinc/69/10/73/531691073.db2.gz AEIIMFXEVBKPOS-UHFFFAOYSA-N 0 0 381.435 2.281 20 5 GEBDRN CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000051160848 531740708 /nfs/dbraw/zinc/74/07/08/531740708.db2.gz UPLOKOVOEIPABX-NSHDSACASA-N 0 0 389.861 2.175 20 5 GEBDRN C[C@@H](CCCO)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000157857663 531758854 /nfs/dbraw/zinc/75/88/54/531758854.db2.gz CATKUNQPKDNMFN-QMMMGPOBSA-N 0 0 378.166 2.090 20 5 GEBDRN Cc1cc(S(=O)(=O)NCCNCc2csc([N+](=O)[O-])c2)c(C)s1 ZINC000158395930 531776964 /nfs/dbraw/zinc/77/69/64/531776964.db2.gz KWKSSSMZPUSIOE-UHFFFAOYSA-N 0 0 375.497 2.403 20 5 GEBDRN O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccc2c(c1)OCCO2 ZINC000158371002 531777042 /nfs/dbraw/zinc/77/70/42/531777042.db2.gz YEZKTCLUSLXZOS-UHFFFAOYSA-N 0 0 395.165 2.173 20 5 GEBDRN O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000056090743 531805031 /nfs/dbraw/zinc/80/50/31/531805031.db2.gz LVCMNMMERYICIC-UHFFFAOYSA-N 0 0 389.842 2.018 20 5 GEBDRN O=C(CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000056130376 531808806 /nfs/dbraw/zinc/80/88/06/531808806.db2.gz ZFSOTNNJDRKIGD-UHFFFAOYSA-N 0 0 389.861 2.366 20 5 GEBDRN Cn1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1=O ZINC000161639098 531833896 /nfs/dbraw/zinc/83/38/96/531833896.db2.gz IKBDRUMUIAOMNX-UHFFFAOYSA-N 0 0 377.300 2.113 20 5 GEBDRN CCN1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000162936618 531853482 /nfs/dbraw/zinc/85/34/82/531853482.db2.gz FFEBTMKJWDOPPE-JTQLQIEISA-N 0 0 381.376 2.376 20 5 GEBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000064469329 531865548 /nfs/dbraw/zinc/86/55/48/531865548.db2.gz ULXZLMTYJDOHHJ-UHFFFAOYSA-N 0 0 381.376 2.383 20 5 GEBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCN(c3nccs3)CC2)cc1 ZINC000064403392 531865740 /nfs/dbraw/zinc/86/57/40/531865740.db2.gz JUSAKMMSLWOXBD-UHFFFAOYSA-N 0 0 382.467 2.093 20 5 GEBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000165652661 531872867 /nfs/dbraw/zinc/87/28/67/531872867.db2.gz ICBHPSWUJILUIY-CYBMUJFWSA-N 0 0 395.213 2.305 20 5 GEBDRN CC(C)(C)c1nsc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1 ZINC000068074551 531896243 /nfs/dbraw/zinc/89/62/43/531896243.db2.gz OSQQKGYPUBWPOO-UHFFFAOYSA-N 0 0 384.439 2.400 20 5 GEBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCCO1 ZINC000171256329 531899655 /nfs/dbraw/zinc/89/96/55/531899655.db2.gz WIICRKXBTRCDIL-SECBINFHSA-N 0 0 390.177 2.450 20 5 GEBDRN CC(=O)Nc1nnc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000067430080 531884697 /nfs/dbraw/zinc/88/46/97/531884697.db2.gz CHIQBOGOHBIDNI-LLVKDONJSA-N 0 0 379.423 2.302 20 5 GEBDRN O=C(CNC(=O)c1ccc(Br)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000067648163 531886102 /nfs/dbraw/zinc/88/61/02/531886102.db2.gz FGNLHUIPDKLRLO-UHFFFAOYSA-N 0 0 392.209 2.404 20 5 GEBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000067826932 531890863 /nfs/dbraw/zinc/89/08/63/531890863.db2.gz NPIXOWUBEXBZMZ-ZDUSSCGKSA-N 0 0 395.213 2.154 20 5 GEBDRN COC(=O)[C@@H](C)CN(C)c1ccc(I)cc1[N+](=O)[O-] ZINC000097351063 531934901 /nfs/dbraw/zinc/93/49/01/531934901.db2.gz BWANQGCVRZHSCF-QMMMGPOBSA-N 0 0 378.166 2.445 20 5 GEBDRN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1)C1CC1 ZINC000172379149 531949376 /nfs/dbraw/zinc/94/93/76/531949376.db2.gz MHXAMJGGTSDFPB-UHFFFAOYSA-N 0 0 396.241 2.488 20 5 GEBDRN CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172421379 531951093 /nfs/dbraw/zinc/95/10/93/531951093.db2.gz JGOPLDQAHZPSID-UHFFFAOYSA-N 0 0 381.435 2.110 20 5 GEBDRN COc1ccc(C(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c(OC)c1 ZINC000120185306 531976828 /nfs/dbraw/zinc/97/68/28/531976828.db2.gz OFLDUMLXQLCNQD-UHFFFAOYSA-N 0 0 397.181 2.419 20 5 GEBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O)c1cccs1 ZINC000120176191 531976865 /nfs/dbraw/zinc/97/68/65/531976865.db2.gz BTWYETLFZJDWDR-QMMMGPOBSA-N 0 0 386.227 2.458 20 5 GEBDRN CN1C(=S)N=NC1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173074691 531986793 /nfs/dbraw/zinc/98/67/93/531986793.db2.gz OILBYOVYVKFQHF-UHFFFAOYSA-N 0 0 375.332 2.003 20 5 GEBDRN COCCOC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173166647 531991532 /nfs/dbraw/zinc/99/15/32/531991532.db2.gz QKXJDWNQYYXAEM-NSHDSACASA-N 0 0 387.230 2.482 20 5 GEBDRN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCc3cc(Br)ccc32)c1 ZINC000173235336 531997343 /nfs/dbraw/zinc/99/73/43/531997343.db2.gz HUSKQQZGXJZIIJ-CQSZACIVSA-N 0 0 381.230 2.368 20 5 GEBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCOC[C@@H]1C1CC1 ZINC000121573785 532035085 /nfs/dbraw/zinc/03/50/85/532035085.db2.gz DQRFCPUFCWWKNJ-GFCCVEGCSA-N 0 0 391.243 2.157 20 5 GEBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCOC[C@H]1C1CC1 ZINC000121573168 532035363 /nfs/dbraw/zinc/03/53/63/532035363.db2.gz YIXJEVUQJMILQU-LBPRGKRZSA-N 0 0 391.243 2.157 20 5 GEBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](CN2CCOCC2)C1 ZINC000174164069 532054316 /nfs/dbraw/zinc/05/43/16/532054316.db2.gz FZJDRUXUUDFWMJ-GFCCVEGCSA-N 0 0 398.257 2.152 20 5 GEBDRN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000122326859 532066329 /nfs/dbraw/zinc/06/63/29/532066329.db2.gz FOHYEUOYUSGCFS-KOLCDFICSA-N 0 0 384.230 2.012 20 5 GEBDRN CNC(=O)[C@H]1CCCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000122890108 532086493 /nfs/dbraw/zinc/08/64/93/532086493.db2.gz NFXVQEQZVLMQJN-JTQLQIEISA-N 0 0 384.230 2.264 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000175103073 532089137 /nfs/dbraw/zinc/08/91/37/532089137.db2.gz HOEOCEBQAAVOEZ-DEOSSOPVSA-N 0 0 382.463 2.461 20 5 GEBDRN CCNC(=O)c1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123186190 532094985 /nfs/dbraw/zinc/09/49/85/532094985.db2.gz CIMRRVCMAGOOKE-UHFFFAOYSA-N 0 0 383.451 2.193 20 5 GEBDRN Cc1sc(S(=O)(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000123332018 532098781 /nfs/dbraw/zinc/09/87/81/532098781.db2.gz RCCHENJWMJMHRO-UHFFFAOYSA-N 0 0 389.499 2.280 20 5 GEBDRN Cc1sc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000123530141 532101716 /nfs/dbraw/zinc/10/17/16/532101716.db2.gz RIEBNWOXVOXSBA-UWVGGRQHSA-N 0 0 375.472 2.033 20 5 GEBDRN COc1cc(C(=O)Nc2cc(Br)cn(C)c2=O)ccc1[N+](=O)[O-] ZINC000175537394 532106033 /nfs/dbraw/zinc/10/60/33/532106033.db2.gz WTXYATXPSXDLCK-UHFFFAOYSA-N 0 0 382.170 2.317 20 5 GEBDRN Cc1cnn(C[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CCO2)c1 ZINC000123701743 532106515 /nfs/dbraw/zinc/10/65/15/532106515.db2.gz MUCKBRXIIHORNW-NSHDSACASA-N 0 0 382.218 2.163 20 5 GEBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cn(C)c2=O)c1 ZINC000175540613 532107511 /nfs/dbraw/zinc/10/75/11/532107511.db2.gz UYFWBRJTUBARSW-UHFFFAOYSA-N 0 0 382.170 2.317 20 5 GEBDRN NC(=O)COc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000175570646 532108484 /nfs/dbraw/zinc/10/84/84/532108484.db2.gz TWKLFPJXNOIEIH-UHFFFAOYSA-N 0 0 394.181 2.474 20 5 GEBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc([S@](C)=O)cc1 ZINC000175874846 532118255 /nfs/dbraw/zinc/11/82/55/532118255.db2.gz XCXLHTHALXOAIG-DEOSSOPVSA-N 0 0 382.463 2.373 20 5 GEBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)NC(C)(C)C ZINC000176057577 532123372 /nfs/dbraw/zinc/12/33/72/532123372.db2.gz HKUFJUXLTFJPNH-SECBINFHSA-N 0 0 386.246 2.319 20 5 GEBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000124108234 532114594 /nfs/dbraw/zinc/11/45/94/532114594.db2.gz IJVLCXSBZCAWEH-QWHCGFSZSA-N 0 0 382.214 2.241 20 5 GEBDRN Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000125400678 532135451 /nfs/dbraw/zinc/13/54/51/532135451.db2.gz AYVICUJGPIAAHW-LBPRGKRZSA-N 0 0 380.202 2.463 20 5 GEBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2cccs2)CC1 ZINC000127557973 532155158 /nfs/dbraw/zinc/15/51/58/532155158.db2.gz LJGGLDUWLXOKAD-UHFFFAOYSA-N 0 0 383.451 2.176 20 5 GEBDRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000128787185 532168430 /nfs/dbraw/zinc/16/84/30/532168430.db2.gz WMKVZVKUIKAQSP-VHSXEESVSA-N 0 0 386.246 2.319 20 5 GEBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000177383486 532169631 /nfs/dbraw/zinc/16/96/31/532169631.db2.gz ANMSAEYDZLFYAC-VIFPVBQESA-N 0 0 381.801 2.330 20 5 GEBDRN O=[N+]([O-])c1cc(CN2CCN(c3cccnn3)CC2)ccc1Br ZINC000127944834 532159507 /nfs/dbraw/zinc/15/95/07/532159507.db2.gz RWFZOOVFFMGTNC-UHFFFAOYSA-N 0 0 378.230 2.470 20 5 GEBDRN Cc1cc(=O)n(C[C@@H](O)COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000177701224 532180054 /nfs/dbraw/zinc/18/00/54/532180054.db2.gz GLPLABYYHDTLLT-GFCCVEGCSA-N 0 0 383.198 2.267 20 5 GEBDRN Cc1nn(CCC(=O)Nc2c[nH]cc(Br)c2=O)c(C)c1[N+](=O)[O-] ZINC000129786547 532184052 /nfs/dbraw/zinc/18/40/52/532184052.db2.gz NTFZHMMOCNLYBV-UHFFFAOYSA-N 0 0 384.190 2.300 20 5 GEBDRN Cc1ccc([C@@H](C)NC(=O)CNS(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000177849664 532184800 /nfs/dbraw/zinc/18/48/00/532184800.db2.gz BRVIFOVOQWSZKA-LLVKDONJSA-N 0 0 383.451 2.120 20 5 GEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](S(=O)(=O)NC3CC3)C2)c(C(F)(F)F)c1 ZINC000129171046 532173959 /nfs/dbraw/zinc/17/39/59/532173959.db2.gz BABOLETVCOVQNB-LLVKDONJSA-N 0 0 379.360 2.274 20 5 GEBDRN CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000131306667 532195917 /nfs/dbraw/zinc/19/59/17/532195917.db2.gz UHGCCPIYTSQFKN-SNVBAGLBSA-N 0 0 392.275 2.072 20 5 GEBDRN CO[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000178330308 532198958 /nfs/dbraw/zinc/19/89/58/532198958.db2.gz JZQFXQKWTIMNRS-VIFPVBQESA-N 0 0 379.232 2.157 20 5 GEBDRN C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCS1(=O)=O ZINC000131906487 532206381 /nfs/dbraw/zinc/20/63/81/532206381.db2.gz AJIJXWQMOKXJLM-DTWKUNHWSA-N 0 0 380.344 2.261 20 5 GEBDRN COC(=O)C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000178797520 532213002 /nfs/dbraw/zinc/21/30/02/532213002.db2.gz GZDOZBCPXFCIJW-LLVKDONJSA-N 0 0 385.214 2.454 20 5 GEBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000178798520 532213142 /nfs/dbraw/zinc/21/31/42/532213142.db2.gz ABLIESGSSHASPP-ZDUSSCGKSA-N 0 0 391.877 2.171 20 5 GEBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000132591578 532219116 /nfs/dbraw/zinc/21/91/16/532219116.db2.gz PKIGWUFDGSWAOU-CHWSQXEVSA-N 0 0 382.214 2.241 20 5 GEBDRN C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000132488707 532217117 /nfs/dbraw/zinc/21/71/17/532217117.db2.gz ISMDHNSNQUBQAT-SNVBAGLBSA-N 0 0 392.209 2.497 20 5 GEBDRN O=C(CC1CCSCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000132659917 532219728 /nfs/dbraw/zinc/21/97/28/532219728.db2.gz JUXDQWLWHTUMCO-UHFFFAOYSA-N 0 0 383.495 2.474 20 5 GEBDRN Cc1ccc(CNC(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1 ZINC000132806048 532221757 /nfs/dbraw/zinc/22/17/57/532221757.db2.gz VZGVTNSAOFENQJ-UHFFFAOYSA-N 0 0 380.198 2.144 20 5 GEBDRN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000179165031 532223584 /nfs/dbraw/zinc/22/35/84/532223584.db2.gz KXLKHJONGHIINR-VIFPVBQESA-N 0 0 390.621 2.361 20 5 GEBDRN Nc1nc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)nc2ccccc12 ZINC000132904476 532223695 /nfs/dbraw/zinc/22/36/95/532223695.db2.gz PJQXRGQLXDPHIG-UHFFFAOYSA-N 0 0 376.170 2.093 20 5 GEBDRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000132996832 532224785 /nfs/dbraw/zinc/22/47/85/532224785.db2.gz QCIPPHBXZQGMMO-SECBINFHSA-N 0 0 393.259 2.451 20 5 GEBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000133963282 532247253 /nfs/dbraw/zinc/24/72/53/532247253.db2.gz YNZBTICLJNQWNP-ZANVPECISA-N 0 0 393.259 2.187 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000134052156 532249164 /nfs/dbraw/zinc/24/91/64/532249164.db2.gz NQSKYWXTHNAJIC-CABZTGNLSA-N 0 0 382.360 2.443 20 5 GEBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)[C@@H]1CCOC1 ZINC000135039435 532265524 /nfs/dbraw/zinc/26/55/24/532265524.db2.gz BVHTUOCMNGBSOQ-DTWKUNHWSA-N 0 0 390.177 2.354 20 5 GEBDRN Cc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000135114609 532267804 /nfs/dbraw/zinc/26/78/04/532267804.db2.gz XHLGNNXCBLIIFM-LLVKDONJSA-N 0 0 381.376 2.160 20 5 GEBDRN NS(=O)(=O)c1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000135185235 532269166 /nfs/dbraw/zinc/26/91/66/532269166.db2.gz QUDOFEXPZMQEPR-UHFFFAOYSA-N 0 0 381.435 2.109 20 5 GEBDRN COCCCOCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000181010053 532288467 /nfs/dbraw/zinc/28/84/67/532288467.db2.gz PYNOVLZOSGVSLE-UHFFFAOYSA-N 0 0 375.219 2.482 20 5 GEBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000139611401 532293287 /nfs/dbraw/zinc/29/32/87/532293287.db2.gz RQVOCTQUOOQAPG-CQSZACIVSA-N 0 0 395.213 2.154 20 5 GEBDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000146422542 532298417 /nfs/dbraw/zinc/29/84/17/532298417.db2.gz QTEASTMWGLMBQJ-JTQLQIEISA-N 0 0 376.818 2.212 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CC(C)[C@H](CO)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000561689181 532447637 /nfs/dbraw/zinc/44/76/37/532447637.db2.gz AIIXQUWDPFTPIS-JTQLQIEISA-N 0 0 392.193 2.194 20 5 GEBDRN CC[C@@](C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000428294090 532448942 /nfs/dbraw/zinc/44/89/42/532448942.db2.gz KURNOCQZBYYEAQ-CQSZACIVSA-N 0 0 388.218 2.227 20 5 GEBDRN C[C@H]1SCC[C@@H]1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000592736783 532457155 /nfs/dbraw/zinc/45/71/55/532457155.db2.gz UKQDRRAUMWWMGM-KOLCDFICSA-N 0 0 379.467 2.498 20 5 GEBDRN CN(CCOc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000519001429 532452874 /nfs/dbraw/zinc/45/28/74/532452874.db2.gz ARYZVWNAEIEBJL-UHFFFAOYSA-N 0 0 385.829 2.411 20 5 GEBDRN CCn1ccnc1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295593267 532461969 /nfs/dbraw/zinc/46/19/69/532461969.db2.gz WTCDDCKFIIHOJA-UHFFFAOYSA-N 0 0 389.231 2.052 20 5 GEBDRN C[C@@H]1C(=O)N(C)CN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592728454 532458045 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20 5 GEBDRN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000295685884 532468889 /nfs/dbraw/zinc/46/88/89/532468889.db2.gz LBAFMQMWTYSIRO-JTQLQIEISA-N 0 0 389.279 2.327 20 5 GEBDRN C[C@@]1(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000374034068 532486465 /nfs/dbraw/zinc/48/64/65/532486465.db2.gz ROJLXBAIRDKRQH-HNNXBMFYSA-N 0 0 397.229 2.172 20 5 GEBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593558516 532486843 /nfs/dbraw/zinc/48/68/43/532486843.db2.gz UDCZHLUETZFVHF-JNDILOIQSA-N 0 0 383.451 2.109 20 5 GEBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593558517 532486907 /nfs/dbraw/zinc/48/69/07/532486907.db2.gz UDCZHLUETZFVHF-YDGUKXNOSA-N 0 0 383.451 2.109 20 5 GEBDRN Cc1c(CNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000562920676 532487635 /nfs/dbraw/zinc/48/76/35/532487635.db2.gz HYJQFRQZXUJTCR-UHFFFAOYSA-N 0 0 383.813 2.134 20 5 GEBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCCC[C@H](CO)C1 ZINC000374110236 532490819 /nfs/dbraw/zinc/49/08/19/532490819.db2.gz ZIJCHNCHQQRQND-JTQLQIEISA-N 0 0 382.360 2.487 20 5 GEBDRN COC(=O)[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593668719 532494424 /nfs/dbraw/zinc/49/44/24/532494424.db2.gz BXOIGKFQCQAYNW-WDEREUQCSA-N 0 0 388.829 2.068 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000374267400 532496146 /nfs/dbraw/zinc/49/61/46/532496146.db2.gz BSEBYLNPPVVGRT-IAQYHMDHSA-N 0 0 390.845 2.173 20 5 GEBDRN O=[N+]([O-])c1ccc(OCCNS(=O)(=O)c2ccc(Br)o2)cc1 ZINC000519693602 532475273 /nfs/dbraw/zinc/47/52/73/532475273.db2.gz AWBFVLRAZMDVCP-UHFFFAOYSA-N 0 0 391.199 2.308 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000374426709 532502621 /nfs/dbraw/zinc/50/26/21/532502621.db2.gz FWHLTZUMWDCFJF-JTQLQIEISA-N 0 0 382.360 2.397 20 5 GEBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCCO ZINC000282877531 532502996 /nfs/dbraw/zinc/50/29/96/532502996.db2.gz 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2.171 20 5 GEBDRN C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000599825491 532668607 /nfs/dbraw/zinc/66/86/07/532668607.db2.gz KJXQPTFICNTZCG-JLTPVHFHSA-N 0 0 375.244 2.198 20 5 GEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](CO)Cc1ccncc1 ZINC000477259596 532648216 /nfs/dbraw/zinc/64/82/16/532648216.db2.gz OHDWVYXIMZCNQG-CYBMUJFWSA-N 0 0 394.225 2.015 20 5 GEBDRN CSc1ccc(C(=O)N[C@@](C)(C(=O)N(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000598852707 532650685 /nfs/dbraw/zinc/65/06/85/532650685.db2.gz DUZOFJGYRXMWJT-ZDUSSCGKSA-N 0 0 379.360 2.456 20 5 GEBDRN O=[N+]([O-])c1c(Sc2nc3cnccc3s2)ncnc1N1CCOCC1 ZINC000599137253 532651712 /nfs/dbraw/zinc/65/17/12/532651712.db2.gz IMMCNCQCQRUEAH-UHFFFAOYSA-N 0 0 376.423 2.377 20 5 GEBDRN CCn1cc(CN(CCO)C(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000477431187 532652584 /nfs/dbraw/zinc/65/25/84/532652584.db2.gz KHNLQDHRFRTTBB-UHFFFAOYSA-N 0 0 397.229 2.208 20 5 GEBDRN Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000285173310 532654282 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Cc1nc[nH]c1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000534287539 532671068 /nfs/dbraw/zinc/67/10/68/532671068.db2.gz OLOKULVMMNYHEV-UHFFFAOYSA-N 0 0 386.149 2.161 20 5 GEBDRN CCN(CC)S(=O)(=O)c1ccc(NCCSCCCO)c([N+](=O)[O-])c1 ZINC000264445315 532675108 /nfs/dbraw/zinc/67/51/08/532675108.db2.gz ZNGFTRIJZDIJSJ-UHFFFAOYSA-N 0 0 391.515 2.153 20 5 GEBDRN CCOC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000600409585 532675911 /nfs/dbraw/zinc/67/59/11/532675911.db2.gz GKHGGQYCIPCGSE-CYBMUJFWSA-N 0 0 387.230 2.164 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)n2)s1 ZINC000535331965 532679436 /nfs/dbraw/zinc/67/94/36/532679436.db2.gz KUIOSUIFESJXPS-UHFFFAOYSA-N 0 0 397.356 2.427 20 5 GEBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000285466177 532682570 /nfs/dbraw/zinc/68/25/70/532682570.db2.gz ZUCAISALHQLVQJ-PWSUYJOCSA-N 0 0 382.360 2.085 20 5 GEBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N(CC(F)F)C1CCS(=O)(=O)CC1 ZINC000487043602 532692792 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CS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000439645166 532700148 /nfs/dbraw/zinc/70/01/48/532700148.db2.gz IWWLIVJFJLXVHM-GHMZBOCLSA-N 0 0 379.385 2.469 20 5 GEBDRN COC(=O)[C@H](C)CSc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000265207778 532688425 /nfs/dbraw/zinc/68/84/25/532688425.db2.gz LIOJFTUTQUNYHV-LLVKDONJSA-N 0 0 388.467 2.281 20 5 GEBDRN C[C@@H](Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1ccc([S@](C)=O)cc1 ZINC000535888881 532688750 /nfs/dbraw/zinc/68/87/50/532688750.db2.gz RAKWEPLNQSXPQQ-ZZDSUILFSA-N 0 0 383.451 2.153 20 5 GEBDRN CSC1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000266217312 532708302 /nfs/dbraw/zinc/70/83/02/532708302.db2.gz RPZKYKNEDADXQD-UHFFFAOYSA-N 0 0 380.875 2.439 20 5 GEBDRN COC(=O)c1nscc1S(=O)(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490459279 532710504 /nfs/dbraw/zinc/71/05/04/532710504.db2.gz RAOBIPOCRRFPPT-UHFFFAOYSA-N 0 0 385.423 2.052 20 5 GEBDRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000266242313 532711046 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Cc1nc(NC[C@@H](CO)Cc2cccc(Br)c2)ncc1[N+](=O)[O-] ZINC000450491294 650066054 /nfs/dbraw/zinc/06/60/54/650066054.db2.gz WKETYPOGCQSODI-LBPRGKRZSA-N 0 0 381.230 2.719 20 5 GEBDRN Cc1nc(NC[C@@H](CO)Cc2ccccc2Br)ncc1[N+](=O)[O-] ZINC000450487568 650066056 /nfs/dbraw/zinc/06/60/56/650066056.db2.gz NEYJJDUUMBMJKJ-NSHDSACASA-N 0 0 381.230 2.719 20 5 GEBDRN CN(C)S(=O)(=O)N[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000450815032 650070929 /nfs/dbraw/zinc/07/09/29/650070929.db2.gz RQSDQHNYCZUXLD-LBPRGKRZSA-N 0 0 391.881 2.010 20 5 GEBDRN CCOC(=O)c1ccc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)nc1 ZINC000450906794 650075080 /nfs/dbraw/zinc/07/50/80/650075080.db2.gz PPKOIYRQEXEKQJ-UHFFFAOYSA-N 0 0 396.197 2.447 20 5 GEBDRN CC[C@@H]1[C@H](CO)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451259238 650098810 /nfs/dbraw/zinc/09/88/10/650098810.db2.gz SLAJMHFCOZGMKG-IINYFYTJSA-N 0 0 386.246 2.389 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)s1 ZINC000451707358 650134870 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388.751 2.182 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CCCO)C2)c(Br)c1 ZINC000452121606 650174802 /nfs/dbraw/zinc/17/48/02/650174802.db2.gz TULWTZUPPQZFHI-SNVBAGLBSA-N 0 0 393.259 2.140 20 5 GEBDRN CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1I)C1COC1 ZINC000452575774 650190367 /nfs/dbraw/zinc/19/03/67/650190367.db2.gz LYCLDXOPBGBZJN-UHFFFAOYSA-N 0 0 390.177 2.449 20 5 GEBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[C@@H](SC)C1 ZINC000452558095 650189879 /nfs/dbraw/zinc/18/98/79/650189879.db2.gz KHNPPWIWCFGNIC-GHMZBOCLSA-N 0 0 387.483 2.003 20 5 GEBDRN CO[C@H]1COCC[C@@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000452644461 650192372 /nfs/dbraw/zinc/19/23/72/650192372.db2.gz WQJJRDRSKRWEKN-APPZFPTMSA-N 0 0 379.232 2.200 20 5 GEBDRN CO[C@@H]1COCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000452646504 650192420 /nfs/dbraw/zinc/19/24/20/650192420.db2.gz YHPJEMVWKSRZKE-BXUZGUMPSA-N 0 0 387.230 2.068 20 5 GEBDRN Cn1cc(Br)c(CNC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000452753209 650195719 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O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000457259376 650374863 /nfs/dbraw/zinc/37/48/63/650374863.db2.gz FODOBZZDQXNQFI-ZYHUDNBSSA-N 0 0 382.214 2.241 20 5 GEBDRN O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000457291715 650375963 /nfs/dbraw/zinc/37/59/63/650375963.db2.gz VZSSUBCJWXELMZ-AAEUAGOBSA-N 0 0 382.214 2.241 20 5 GEBDRN Cc1nn2cc(S(=O)(=O)NCc3ccc([N+](=O)[O-])cc3)cnc2c1Cl ZINC000500665486 650382402 /nfs/dbraw/zinc/38/24/02/650382402.db2.gz ISGRRANGIZVNHD-UHFFFAOYSA-N 0 0 381.801 2.078 20 5 GEBDRN CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501074796 650387349 /nfs/dbraw/zinc/38/73/49/650387349.db2.gz OPGLXNKXKQYULB-GFCCVEGCSA-N 0 0 385.218 2.346 20 5 GEBDRN O=C(N[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000457825134 650385575 /nfs/dbraw/zinc/38/55/75/650385575.db2.gz GCDBEXXAAFYAPT-MFKMUULPSA-N 0 0 381.186 2.340 20 5 GEBDRN Cn1c(C(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)ccc1[N+](=O)[O-] ZINC000457821693 650385598 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C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCC1=O ZINC000193129336 645244529 /nfs/dbraw/zinc/24/45/29/645244529.db2.gz IMRDMWUJLLEOPN-QMMMGPOBSA-N 0 0 388.161 2.251 20 5 GEBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCC1=O ZINC000193129318 645244793 /nfs/dbraw/zinc/24/47/93/645244793.db2.gz IMRDMWUJLLEOPN-MRVPVSSYSA-N 0 0 388.161 2.251 20 5 GEBDRN CN1CCN(C)[C@@H](c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)C1 ZINC000546495837 651000668 /nfs/dbraw/zinc/00/06/68/651000668.db2.gz FOVPMXAGWGJPPW-GFCCVEGCSA-N 0 0 382.218 2.326 20 5 GEBDRN Cc1cc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)no1 ZINC000193794024 645299593 /nfs/dbraw/zinc/29/95/93/645299593.db2.gz NNPQISBODVEODY-UHFFFAOYSA-N 0 0 390.215 2.474 20 5 GEBDRN O=C(NC[C@@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1I ZINC000194125350 645314108 /nfs/dbraw/zinc/31/41/08/645314108.db2.gz UHQPCKGJUISALY-QMMMGPOBSA-N 0 0 388.161 2.298 20 5 GEBDRN Cc1c(Br)cc(C(=O)N2CCOC[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000194396653 645326088 /nfs/dbraw/zinc/32/60/88/645326088.db2.gz 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CC(C)n1cnnc1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000265034873 645737895 /nfs/dbraw/zinc/73/78/95/645737895.db2.gz LSEBZVMGFBLPTP-UHFFFAOYSA-N 0 0 375.357 2.376 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000265641172 645785579 /nfs/dbraw/zinc/78/55/79/645785579.db2.gz UZFIYNGDENCIMM-QKESZYPNSA-N 0 0 380.875 2.087 20 5 GEBDRN COc1cc(Br)c(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1OC ZINC000547764269 651044653 /nfs/dbraw/zinc/04/46/53/651044653.db2.gz VSHXZHFJGCOPJX-UHFFFAOYSA-N 0 0 385.174 2.028 20 5 GEBDRN CC(=O)N(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000265822154 645804247 /nfs/dbraw/zinc/80/42/47/645804247.db2.gz RHKWJOALIUMZRQ-UHFFFAOYSA-N 0 0 384.230 2.440 20 5 GEBDRN O=C1NC(=O)[C@]2(CCC[C@H]2CNc2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000266757368 645862035 /nfs/dbraw/zinc/86/20/35/645862035.db2.gz URGWDMNFACRCPU-RMLUDKJBSA-N 0 0 383.202 2.148 20 5 GEBDRN CCCCOCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC ZINC000267086675 645880299 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Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268305652 645957422 /nfs/dbraw/zinc/95/74/22/645957422.db2.gz XZNXEHUAOPTIKN-UHFFFAOYSA-N 0 0 379.225 2.422 20 5 GEBDRN Cc1nc(N2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000268530696 645974246 /nfs/dbraw/zinc/97/42/46/645974246.db2.gz XDBYUNGHKYIKSE-UHFFFAOYSA-N 0 0 382.467 2.307 20 5 GEBDRN O=C(NC[C@@H]1CSCCS1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000268720661 645992902 /nfs/dbraw/zinc/99/29/02/645992902.db2.gz WGAGWNMXAYUGKS-SECBINFHSA-N 0 0 375.859 2.152 20 5 GEBDRN C[C@@H](CC[S@](C)=O)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000268839888 645999468 /nfs/dbraw/zinc/99/94/68/645999468.db2.gz VISMQFCGDOLDTF-FORDYWAESA-N 0 0 384.845 2.363 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCSCC2)c(Br)c1 ZINC000269464690 646036624 /nfs/dbraw/zinc/03/66/24/646036624.db2.gz IOYGTBIKXAJXNW-UHFFFAOYSA-N 0 0 381.273 2.485 20 5 GEBDRN C[C@@H](O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000269777273 646056139 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GEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H](CO)Cc2ccc(F)cc2)s1 ZINC000271249885 646184105 /nfs/dbraw/zinc/18/41/05/646184105.db2.gz JAKVNEQOEFOALK-NSHDSACASA-N 0 0 388.442 2.462 20 5 GEBDRN C[C@H]1C[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000271300312 646188012 /nfs/dbraw/zinc/18/80/12/646188012.db2.gz VVBDWHMTLAEOEJ-VHSXEESVSA-N 0 0 393.259 2.451 20 5 GEBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCOc3ccc(Br)cc32)n1 ZINC000271383295 646198479 /nfs/dbraw/zinc/19/84/79/646198479.db2.gz JXPXYBUKOMUTPO-JTQLQIEISA-N 0 0 381.186 2.344 20 5 GEBDRN Cc1nn(C)c2c1N(C(=O)c1ccc([N+](=O)[O-])cc1Br)CCO2 ZINC000271877051 646236516 /nfs/dbraw/zinc/23/65/16/646236516.db2.gz ZQJWKOWXKPITAE-UHFFFAOYSA-N 0 0 381.186 2.438 20 5 GEBDRN C[C@H]([C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)S(C)(=O)=O ZINC000272288345 646263510 /nfs/dbraw/zinc/26/35/10/646263510.db2.gz BDLFQFBLPADLQR-DTWKUNHWSA-N 0 0 380.369 2.090 20 5 GEBDRN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272345781 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385.511 2.014 20 5 GEBDRN C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000277255038 646394394 /nfs/dbraw/zinc/39/43/94/646394394.db2.gz KUFYQDABWIINBF-VIFPVBQESA-N 0 0 391.243 2.007 20 5 GEBDRN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC[S@@]1=O ZINC000277418103 646416796 /nfs/dbraw/zinc/41/67/96/646416796.db2.gz ZZVWHKLXGMKRGX-BTKVJGODSA-N 0 0 375.244 2.340 20 5 GEBDRN CCOCC[C@H](O)COc1cc([N+](=O)[O-])ccc1I ZINC000277455140 646423500 /nfs/dbraw/zinc/42/35/00/646423500.db2.gz IJJMGDXLOKEKCU-JTQLQIEISA-N 0 0 381.166 2.366 20 5 GEBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC000277477766 646428267 /nfs/dbraw/zinc/42/82/67/646428267.db2.gz HRZZZNAGMWREFO-VDBVYFBLSA-N 0 0 386.495 2.316 20 5 GEBDRN C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000277558955 646441749 /nfs/dbraw/zinc/44/17/49/646441749.db2.gz MXAZVIMWGRYBKX-FPVGNUTFSA-N 0 0 375.244 2.340 20 5 GEBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCn2c(Br)cnc2C1 ZINC000277586018 646446666 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/nfs/dbraw/zinc/45/61/65/652456165.db2.gz WMAYRHTZAJJEIF-QMMMGPOBSA-N 0 0 375.223 2.499 20 5 GEBDRN CCn1cc([N+](=O)[O-])c(C(=O)OCc2cc(Br)cnc2OC)n1 ZINC000755836319 652477466 /nfs/dbraw/zinc/47/74/66/652477466.db2.gz NVVFGKMEVIHAMY-UHFFFAOYSA-N 0 0 385.174 2.334 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@]1(CCO)CCOC1 ZINC000583336111 652481852 /nfs/dbraw/zinc/48/18/52/652481852.db2.gz VKNARBMAYATFEI-HNNXBMFYSA-N 0 0 387.230 2.185 20 5 GEBDRN CN([C@@H](CO)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000583704667 652495181 /nfs/dbraw/zinc/49/51/81/652495181.db2.gz NFEJZQNYSMNOFT-CQSZACIVSA-N 0 0 384.841 2.472 20 5 GEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCCCN1CCOCC1 ZINC000756525180 652499957 /nfs/dbraw/zinc/49/99/57/652499957.db2.gz IERSOEQIPGBOIH-UHFFFAOYSA-N 0 0 387.230 2.165 20 5 GEBDRN NS(=O)(=O)c1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000756815086 652506620 /nfs/dbraw/zinc/50/66/20/652506620.db2.gz FHJKSLKMJOHVRU-UHFFFAOYSA-N 0 0 384.801 2.217 20 5 GEBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccnc(Cl)c1 ZINC000757808254 652523590 /nfs/dbraw/zinc/52/35/90/652523590.db2.gz SUNRKFOLMNAJAH-UHFFFAOYSA-N 0 0 384.801 2.239 20 5 GEBDRN C[C@@H]1CCCC[C@@H]1NC(=S)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000757937307 652526223 /nfs/dbraw/zinc/52/62/23/652526223.db2.gz SPJSNMMJEHKCHT-DOMZBBRYSA-N 0 0 385.511 2.411 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CNC(N)=O ZINC000585698393 652533816 /nfs/dbraw/zinc/53/38/16/652533816.db2.gz VILAUYBNQYRTKN-SNVBAGLBSA-N 0 0 399.245 2.329 20 5 GEBDRN O=c1c([N+](=O)[O-])cn(Cc2nc3cc(Br)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000758410329 652540445 /nfs/dbraw/zinc/54/04/45/652540445.db2.gz KEESJAFEYNIJNQ-UHFFFAOYSA-N 0 0 394.141 2.352 20 5 GEBDRN CSc1cccc(C(=O)OCc2nnnn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000758581901 652547708 /nfs/dbraw/zinc/54/77/08/652547708.db2.gz PKQOEFXRWPLOBH-UHFFFAOYSA-N 0 0 377.304 2.223 20 5 GEBDRN COc1ccccc1N(CCO)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000588857419 652557076 /nfs/dbraw/zinc/55/70/76/652557076.db2.gz NTZYPHWEMZDLGK-UHFFFAOYSA-N 0 0 386.813 2.444 20 5 GEBDRN CN(C)c1nccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000759026372 652560350 /nfs/dbraw/zinc/56/03/50/652560350.db2.gz GUFALVAVRFADKA-UHFFFAOYSA-N 0 0 380.202 2.143 20 5 GEBDRN O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000759168304 652565517 /nfs/dbraw/zinc/56/55/17/652565517.db2.gz PGDWGSJWSCJBNG-UHFFFAOYSA-N 0 0 391.178 2.197 20 5 GEBDRN C[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000759792349 652586575 /nfs/dbraw/zinc/58/65/75/652586575.db2.gz HGQSNCRFHXCHMW-NXEZZACHSA-N 0 0 393.259 2.451 20 5 GEBDRN C[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000759792351 652586708 /nfs/dbraw/zinc/58/67/08/652586708.db2.gz HGQSNCRFHXCHMW-VHSXEESVSA-N 0 0 393.259 2.451 20 5 GEBDRN CS(=O)(=O)CCCCOC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000759896393 652590390 /nfs/dbraw/zinc/59/03/90/652590390.db2.gz SPZKJBJNALSJLE-UHFFFAOYSA-N 0 0 380.216 2.339 20 5 GEBDRN CC1(CC(F)F)CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000592836088 652604184 /nfs/dbraw/zinc/60/41/84/652604184.db2.gz RUTGYDBUGJJDQJ-UHFFFAOYSA-N 0 0 375.759 2.482 20 5 GEBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H]1CCS[C@@H]1C ZINC000592903258 652607300 /nfs/dbraw/zinc/60/73/00/652607300.db2.gz HLJFHZKVNHCLQQ-VWYCJHECSA-N 0 0 387.483 2.050 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(O)C(F)(F)F ZINC000760429039 652609000 /nfs/dbraw/zinc/60/90/00/652609000.db2.gz ATQPZXIZZJEKNM-SNVBAGLBSA-N 0 0 376.740 2.148 20 5 GEBDRN O=C1c2ccccc2S(=O)(=O)N1CCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000760432821 652609307 /nfs/dbraw/zinc/60/93/07/652609307.db2.gz LSKJBBGVBISISN-UHFFFAOYSA-N 0 0 382.781 2.472 20 5 GEBDRN CS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1Cl ZINC000760574121 652615568 /nfs/dbraw/zinc/61/55/68/652615568.db2.gz DNDBIVNEDJJJIT-UHFFFAOYSA-N 0 0 383.813 2.164 20 5 GEBDRN O=[N+]([O-])c1cncc(Br)c1NC[C@@]1(CO)CCc2ccccc21 ZINC000593483089 652622551 /nfs/dbraw/zinc/62/25/51/652622551.db2.gz AQZRFANIXLWYPR-MRXNPFEDSA-N 0 0 378.226 2.463 20 5 GEBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[C@]1(O)CCOC1 ZINC000593495893 652622901 /nfs/dbraw/zinc/62/29/01/652622901.db2.gz UNDDWRLFXQFYAE-HNNXBMFYSA-N 0 0 382.214 2.281 20 5 GEBDRN Cc1cc(N2CCN(Cc3nc[nH]n3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000593509621 652623244 /nfs/dbraw/zinc/62/32/44/652623244.db2.gz YICRBWNARUYAHG-UHFFFAOYSA-N 0 0 381.234 2.106 20 5 GEBDRN COC(=O)N1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760811522 652624412 /nfs/dbraw/zinc/62/44/12/652624412.db2.gz QKZRXEANMGWHBV-SECBINFHSA-N 0 0 386.202 2.318 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)nc1 ZINC000593577448 652625917 /nfs/dbraw/zinc/62/59/17/652625917.db2.gz BDBNJDMYUHFQFB-CQSZACIVSA-N 0 0 383.813 2.405 20 5 GEBDRN Cc1cc(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC000760852059 652626129 /nfs/dbraw/zinc/62/61/29/652626129.db2.gz CAAWUEKEBCKEOJ-UHFFFAOYSA-N 0 0 376.188 2.132 20 5 GEBDRN Cn1nnc2c1CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000594142125 652641345 /nfs/dbraw/zinc/64/13/45/652641345.db2.gz XEOPBFJNPQYLGK-SNVBAGLBSA-N 0 0 381.845 2.143 20 5 GEBDRN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1O ZINC000761391049 652646265 /nfs/dbraw/zinc/64/62/65/652646265.db2.gz USMLZQUGFAFRLU-UHFFFAOYSA-N 0 0 383.154 2.082 20 5 GEBDRN O=C(Cc1cc(F)ccc1Br)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761427808 652647096 /nfs/dbraw/zinc/64/70/96/652647096.db2.gz OVZGXSZNRYJIGG-UHFFFAOYSA-N 0 0 399.172 2.444 20 5 GEBDRN NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000761985269 652666316 /nfs/dbraw/zinc/66/63/16/652666316.db2.gz IRAXHQNROFOBST-GFCCVEGCSA-N 0 0 380.154 2.136 20 5 GEBDRN CCOC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000594697339 652673902 /nfs/dbraw/zinc/67/39/02/652673902.db2.gz CXZPMXILQZIWNE-LLVKDONJSA-N 0 0 384.332 2.066 20 5 GEBDRN O=C1OCCN1CCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000762261397 652683393 /nfs/dbraw/zinc/68/33/93/652683393.db2.gz NRQHHQUOVUFLDN-UHFFFAOYSA-N 0 0 397.185 2.326 20 5 GEBDRN CO[C@@H]1CCC[C@H]([C@@H](CO)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594808622 652684796 /nfs/dbraw/zinc/68/47/96/652684796.db2.gz OHUJNRJHSJLFOZ-ZKYQVNSYSA-N 0 0 392.861 2.093 20 5 GEBDRN Cc1ccc(C)c(S(=O)(=O)NCC2(O)CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000595374868 652717009 /nfs/dbraw/zinc/71/70/09/652717009.db2.gz DXPNHRMYVUCPGP-UHFFFAOYSA-N 0 0 378.397 2.430 20 5 GEBDRN CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595386224 652718004 /nfs/dbraw/zinc/71/80/04/652718004.db2.gz MOJMNCJSUSBVDR-LLVKDONJSA-N 0 0 389.861 2.174 20 5 GEBDRN Cc1sc(S(=O)(=O)NCC2(CC(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000595387148 652718086 /nfs/dbraw/zinc/71/80/86/652718086.db2.gz PHSSPMVJFMZYTJ-UHFFFAOYSA-N 0 0 375.472 2.069 20 5 GEBDRN CC1(C)OCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595392482 652719697 /nfs/dbraw/zinc/71/96/97/652719697.db2.gz NLGAHPSHLHOIHL-SECBINFHSA-N 0 0 393.259 2.451 20 5 GEBDRN CCn1nccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000595414399 652725797 /nfs/dbraw/zinc/72/57/97/652725797.db2.gz CORDQANOGGTUOC-UHFFFAOYSA-N 0 0 378.332 2.309 20 5 GEBDRN C[C@H]1CC(=O)CC[C@H]1C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000762997779 652732206 /nfs/dbraw/zinc/73/22/06/652732206.db2.gz ZXGJTSFNHBLOLD-JOYOIKCWSA-N 0 0 388.829 2.401 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000595886032 652741800 /nfs/dbraw/zinc/74/18/00/652741800.db2.gz LYFZRBQQTQTHST-LBPRGKRZSA-N 0 0 382.360 2.022 20 5 GEBDRN CN(C)S(=O)(=O)[C@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596232080 652753943 /nfs/dbraw/zinc/75/39/43/652753943.db2.gz UXWBFKOQJKBHJR-JTQLQIEISA-N 0 0 392.275 2.218 20 5 GEBDRN COc1cc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596230192 652754129 /nfs/dbraw/zinc/75/41/29/652754129.db2.gz IPARHZNJRLEZMG-LLVKDONJSA-N 0 0 391.877 2.365 20 5 GEBDRN COC(=O)c1c(Cl)c(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596235343 652754661 /nfs/dbraw/zinc/75/46/61/652754661.db2.gz AARYIRIHOVISHT-IUCAKERBSA-N 0 0 376.818 2.047 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C(=O)OCC(C)C)cc1[N+](=O)[O-] ZINC000763397154 652755564 /nfs/dbraw/zinc/75/55/64/652755564.db2.gz YGPGBGMMCJRTIH-JTQLQIEISA-N 0 0 378.834 2.423 20 5 GEBDRN COC(=O)c1n[nH]c2c1CN(c1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000596257885 652756304 /nfs/dbraw/zinc/75/63/04/652756304.db2.gz SQJXYGZHECCEEX-UHFFFAOYSA-N 0 0 381.186 2.430 20 5 GEBDRN COCC(COC)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596269364 652756802 /nfs/dbraw/zinc/75/68/02/652756802.db2.gz ALWUCFGOQOCBBE-UHFFFAOYSA-N 0 0 388.262 2.141 20 5 GEBDRN CS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597092713 652775048 /nfs/dbraw/zinc/77/50/48/652775048.db2.gz QTWYWZGLCDXKBX-VIFPVBQESA-N 0 0 390.849 2.119 20 5 GEBDRN CC[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H](C)S1(=O)=O ZINC000597092601 652775224 /nfs/dbraw/zinc/77/52/24/652775224.db2.gz OWINEVOFRSAGJF-WCBMZHEXSA-N 0 0 390.849 2.260 20 5 GEBDRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597096572 652775782 /nfs/dbraw/zinc/77/57/82/652775782.db2.gz AQIBKQNGDAOIMF-NXEZZACHSA-N 0 0 390.849 2.308 20 5 GEBDRN NS(=O)(=O)c1cc2c(s1)CCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597240441 652777349 /nfs/dbraw/zinc/77/73/49/652777349.db2.gz XBQSUSNDGJXKDU-HWKANZROSA-N 0 0 379.463 2.375 20 5 GEBDRN O=C(NCC1CSC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000597747816 652789486 /nfs/dbraw/zinc/78/94/86/652789486.db2.gz YJQUEIWEHIZDET-UHFFFAOYSA-N 0 0 378.191 2.292 20 5 GEBDRN C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CS1(=O)=O ZINC000598189448 652804648 /nfs/dbraw/zinc/80/46/48/652804648.db2.gz XNXPKMCDEJOVOL-KCJUWKMLSA-N 0 0 380.344 2.309 20 5 GEBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)n1 ZINC000598195183 652805716 /nfs/dbraw/zinc/80/57/16/652805716.db2.gz WYDUNRGFORSVSP-CYBMUJFWSA-N 0 0 395.213 2.305 20 5 GEBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000598209056 652806697 /nfs/dbraw/zinc/80/66/97/652806697.db2.gz MQZPDJRCYINVMP-UHFFFAOYSA-N 0 0 394.229 2.088 20 5 GEBDRN C[C@](O)(CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1cccc(Cl)c1 ZINC000765074843 652821889 /nfs/dbraw/zinc/82/18/89/652821889.db2.gz DDWCOOUTERAMMD-HNNXBMFYSA-N 0 0 385.829 2.215 20 5 GEBDRN Cc1ccc(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000598607633 652824161 /nfs/dbraw/zinc/82/41/61/652824161.db2.gz RTIMPPHZVAVNFI-UHFFFAOYSA-N 0 0 382.360 2.290 20 5 GEBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2ccc(F)c(Br)c2C1 ZINC000598945310 652841574 /nfs/dbraw/zinc/84/15/74/652841574.db2.gz YSKYFZWNNIOFKM-UHFFFAOYSA-N 0 0 383.177 2.278 20 5 GEBDRN CN1C(=O)c2ccccc2[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599166211 652852178 /nfs/dbraw/zinc/85/21/78/652852178.db2.gz XVKPIYTVJWKXCQ-GFCCVEGCSA-N 0 0 381.435 2.299 20 5 GEBDRN COc1c(F)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000599403674 652867278 /nfs/dbraw/zinc/86/72/78/652867278.db2.gz ILJSEUNWLYHHNF-ZJUUUORDSA-N 0 0 376.431 2.401 20 5 GEBDRN CC(C)(C)n1nnnc1COC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000766205366 652871823 /nfs/dbraw/zinc/87/18/23/652871823.db2.gz DSDLUZVINKLXCS-UHFFFAOYSA-N 0 0 384.190 2.456 20 5 GEBDRN CCOC(=O)[C@H](COC)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000766310957 652875591 /nfs/dbraw/zinc/87/55/91/652875591.db2.gz PKUCAAZSHGFPDQ-NSHDSACASA-N 0 0 376.159 2.092 20 5 GEBDRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599534809 652876921 /nfs/dbraw/zinc/87/69/21/652876921.db2.gz DRWFDEFFVMJBJY-IUCAKERBSA-N 0 0 391.243 2.005 20 5 GEBDRN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1=O ZINC000599613354 652880290 /nfs/dbraw/zinc/88/02/90/652880290.db2.gz CLNROQJZYLKZOI-LNLATYFQSA-N 0 0 382.214 2.096 20 5 GEBDRN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1=O ZINC000599613356 652880436 /nfs/dbraw/zinc/88/04/36/652880436.db2.gz CLNROQJZYLKZOI-PTRXPTGYSA-N 0 0 382.214 2.096 20 5 GEBDRN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000766468556 652881376 /nfs/dbraw/zinc/88/13/76/652881376.db2.gz JEECADHECXYBKY-ONGXEEELSA-N 0 0 385.218 2.394 20 5 GEBDRN CN(C)c1ncc(CN(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])cn1 ZINC000599741431 652887052 /nfs/dbraw/zinc/88/70/52/652887052.db2.gz MKHIFMMRYSKUOL-UHFFFAOYSA-N 0 0 394.229 2.486 20 5 GEBDRN O=C(NCCc1nnc2n1CCCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599753115 652887979 /nfs/dbraw/zinc/88/79/79/652887979.db2.gz NGQFDPBUKNBYMW-UHFFFAOYSA-N 0 0 394.229 2.258 20 5 GEBDRN COC[C@H](C)n1ccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC000599782646 652889826 /nfs/dbraw/zinc/88/98/26/652889826.db2.gz GLIHKGUTEMTHFZ-VIFPVBQESA-N 0 0 383.202 3.014 20 5 GEBDRN C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N1CCCCC1=O ZINC000599803468 652891561 /nfs/dbraw/zinc/89/15/61/652891561.db2.gz MESMDKMSQTYLGG-JTQLQIEISA-N 0 0 384.230 2.488 20 5 GEBDRN 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Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC(C)(C)S(C)(=O)=O ZINC000841560459 653733943 /nfs/dbraw/zinc/73/39/43/653733943.db2.gz LUKWTQIIBOQSBU-UHFFFAOYSA-N 0 0 398.890 2.048 20 5 GEBDRN COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000841564930 653734837 /nfs/dbraw/zinc/73/48/37/653734837.db2.gz YYGNNMZMWGQIST-KNVOCYPGSA-N 0 0 383.209 2.132 20 5 GEBDRN CC(C)N(C[C@H]1CCC(=O)N1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841566807 653735384 /nfs/dbraw/zinc/73/53/84/653735384.db2.gz CLMPYPOORRJMBF-SECBINFHSA-N 0 0 393.824 2.065 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000841567179 653735520 /nfs/dbraw/zinc/73/55/20/653735520.db2.gz SKUQKTNWXLNLHC-PELKAZGASA-N 0 0 384.788 2.384 20 5 GEBDRN COC(=O)[C@]1(C)CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000841568363 653735848 /nfs/dbraw/zinc/73/58/48/653735848.db2.gz VCSSMHCZDPZQSX-CQSZACIVSA-N 0 0 394.808 2.351 20 5 GEBDRN CN(Cc1noc(C2CC2)n1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841569390 653735942 /nfs/dbraw/zinc/73/59/42/653735942.db2.gz LYGRWPVIAITRQJ-UHFFFAOYSA-N 0 0 390.780 2.468 20 5 GEBDRN COC(=O)C1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864482164 653737477 /nfs/dbraw/zinc/73/74/77/653737477.db2.gz PIAGHSRLUZZFHB-UHFFFAOYSA-N 0 0 385.214 2.311 20 5 GEBDRN CN(C)C(=O)[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841675126 653738672 /nfs/dbraw/zinc/73/86/72/653738672.db2.gz GGDRXFBVYXVLRU-VIFPVBQESA-N 0 0 385.218 2.299 20 5 GEBDRN CS(=O)(=O)c1ccc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC000787518475 653739291 /nfs/dbraw/zinc/73/92/91/653739291.db2.gz OHRUYGUNQBMYLX-UHFFFAOYSA-N 0 0 390.389 2.468 20 5 GEBDRN C[C@H](C[S@@](C)=O)NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841756170 653740418 /nfs/dbraw/zinc/74/04/18/653740418.db2.gz UNTMRCRRYKRXQL-KHZQPJKKSA-N 0 0 385.339 2.404 20 5 GEBDRN Cc1ccc([C@H](O)CNc2c(I)cncc2[N+](=O)[O-])o1 ZINC000842029540 653744075 /nfs/dbraw/zinc/74/40/75/653744075.db2.gz GDRSRIQPXRURPC-SNVBAGLBSA-N 0 0 389.149 2.063 20 5 GEBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCc2cncn2C1 ZINC000881865233 653744705 /nfs/dbraw/zinc/74/47/05/653744705.db2.gz RKOHGSLPDIDEIB-NSHDSACASA-N 0 0 379.214 2.433 20 5 GEBDRN CCOC(=O)C1(O)CCN(c2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000882001026 653756534 /nfs/dbraw/zinc/75/65/34/653756534.db2.gz JJVQVGLDXKMXPA-UHFFFAOYSA-N 0 0 391.193 2.391 20 5 GEBDRN COC(=O)[C@H](CSCc1ccc(Br)cc1[N+](=O)[O-])NC(C)=O ZINC000842574187 653759706 /nfs/dbraw/zinc/75/97/06/653759706.db2.gz XVQZABIOKCSVEE-NSHDSACASA-N 0 0 391.243 2.268 20 5 GEBDRN CN1CC[C@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1=O ZINC000819895069 653760769 /nfs/dbraw/zinc/76/07/69/653760769.db2.gz HFCGQVPWZOHWCO-QMMMGPOBSA-N 0 0 396.252 2.048 20 5 GEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](c3nnc[nH]3)C2)c(Cl)cc1Cl ZINC000819910393 653762029 /nfs/dbraw/zinc/76/20/29/653762029.db2.gz AEEDMKWWULAIEU-SSDOTTSWSA-N 0 0 392.224 2.198 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000882142256 653765638 /nfs/dbraw/zinc/76/56/38/653765638.db2.gz FIHICWWZCVZWHB-IAQYHMDHSA-N 0 0 390.845 2.125 20 5 GEBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000820069431 653766207 /nfs/dbraw/zinc/76/62/07/653766207.db2.gz YLNBQWLVHPPSLL-UHFFFAOYSA-N 0 0 397.185 2.466 20 5 GEBDRN O=C(C[C@@H]1C=CS(=O)(=O)C1)OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000820212879 653768848 /nfs/dbraw/zinc/76/88/48/653768848.db2.gz ILWKLTUCPKBJCB-VIFPVBQESA-N 0 0 390.211 2.349 20 5 GEBDRN CC(=O)N1CSC[C@H]1C(=O)OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000820350216 653773000 /nfs/dbraw/zinc/77/30/00/653773000.db2.gz GXXONCGLLSADFH-LBPRGKRZSA-N 0 0 389.227 2.322 20 5 GEBDRN O=[N+]([O-])c1ccn(C2CCN(c3ccc(CO)c(Br)n3)CC2)n1 ZINC000865732439 653773204 /nfs/dbraw/zinc/77/32/04/653773204.db2.gz CJJYSVMXOJQWKF-UHFFFAOYSA-N 0 0 382.218 2.283 20 5 GEBDRN CC(C)c1nnnn1CC(=O)OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000820416276 653774135 /nfs/dbraw/zinc/77/41/35/653774135.db2.gz OYZHJNWJKLZHMH-UHFFFAOYSA-N 0 0 384.190 2.211 20 5 GEBDRN CC(C)n1cc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])nn1 ZINC000820586925 653777201 /nfs/dbraw/zinc/77/72/01/653777201.db2.gz XWCLOWMWIXOSSL-UHFFFAOYSA-N 0 0 375.357 2.376 20 5 GEBDRN O=C(COc1cccc(Br)c1[N+](=O)[O-])N1CCOC[C@@H]1C1CC1 ZINC000882365527 653778434 /nfs/dbraw/zinc/77/84/34/653778434.db2.gz YHZGMVXRAFKMJU-GFCCVEGCSA-N 0 0 385.214 2.374 20 5 GEBDRN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cc(Br)no1 ZINC000789999578 653784003 /nfs/dbraw/zinc/78/40/03/653784003.db2.gz MDSABUATOYBVOW-UHFFFAOYSA-N 0 0 378.964 2.318 20 5 GEBDRN COCn1nc(C)c(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c1C ZINC000790038389 653785411 /nfs/dbraw/zinc/78/54/11/653785411.db2.gz BNKGIIWPLPVHMX-UHFFFAOYSA-N 0 0 375.790 2.433 20 5 GEBDRN O=[N+]([O-])c1ccc(I)c(OCCC2CS(=O)(=O)C2)c1 ZINC000790315433 653789298 /nfs/dbraw/zinc/78/92/98/653789298.db2.gz OQWFYBFYNPTURC-UHFFFAOYSA-N 0 0 397.190 2.013 20 5 GEBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCn3cnc(C(F)(F)F)c3C2)c1 ZINC000882623192 653791381 /nfs/dbraw/zinc/79/13/81/653791381.db2.gz MZCGAXLLIAEYGP-UHFFFAOYSA-N 0 0 376.316 2.015 20 5 GEBDRN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790555210 653793429 /nfs/dbraw/zinc/79/34/29/653793429.db2.gz MLTFYUCBNUMBTC-MNOVXSKESA-N 0 0 392.836 2.402 20 5 GEBDRN O=[N+]([O-])c1cc(Br)ccc1CNS(=O)(=O)C[C@@H]1CCCCO1 ZINC000882666964 653795891 /nfs/dbraw/zinc/79/58/91/653795891.db2.gz UJBPVRRUBMVLOM-LBPRGKRZSA-N 0 0 393.259 2.346 20 5 GEBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000866499707 653799236 /nfs/dbraw/zinc/79/92/36/653799236.db2.gz MFHDUWXWXHKFPU-LSDHHAIUSA-N 0 0 399.241 2.306 20 5 GEBDRN CC(C)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)O ZINC000790902348 653800184 /nfs/dbraw/zinc/80/01/84/653800184.db2.gz TVHSKXXECLKWSO-LBPRGKRZSA-N 0 0 395.275 2.431 20 5 GEBDRN CC[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCOC1 ZINC000790930822 653801243 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GEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1noc(C(F)(F)F)n1 ZINC000791411752 653812690 /nfs/dbraw/zinc/81/26/90/653812690.db2.gz BGKYUSGROKJFFL-UHFFFAOYSA-N 0 0 386.695 2.129 20 5 GEBDRN CCOC(=O)CCC(=O)COC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000791448881 653814073 /nfs/dbraw/zinc/81/40/73/653814073.db2.gz OKSNETPZNFWUAD-UHFFFAOYSA-N 0 0 388.170 2.427 20 5 GEBDRN CSc1ccc(C(=O)O[C@H](C)CS(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000821992833 653814490 /nfs/dbraw/zinc/81/44/90/653814490.db2.gz MMVVAPWNKABLFM-LLVKDONJSA-N 0 0 388.467 2.288 20 5 GEBDRN COC(=O)[C@@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000895089144 653816997 /nfs/dbraw/zinc/81/69/97/653816997.db2.gz RXEDMYLHSAFMRM-NSHDSACASA-N 0 0 389.227 2.088 20 5 GEBDRN COC(=O)[C@H]1CSCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000895099327 653817845 /nfs/dbraw/zinc/81/78/45/653817845.db2.gz VXHXELQPCUDHRN-GFCCVEGCSA-N 0 0 376.793 2.047 20 5 GEBDRN CC1(C)CN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000822143090 653819312 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/nfs/dbraw/zinc/89/08/23/531890823.db2.gz OFNAJKSYQHXJSN-SSDOTTSWSA-N 0 0 383.710 2.270 20 5 GEBDRN O=[N+]([O-])c1cc(I)ccc1N[C@H]1CCCS(=O)(=O)C1 ZINC000097348206 531935346 /nfs/dbraw/zinc/93/53/46/531935346.db2.gz BOTLIYWGHFCMKZ-VIFPVBQESA-N 0 0 396.206 2.189 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000097271772 531935849 /nfs/dbraw/zinc/93/58/49/531935849.db2.gz LYHQDCFCLLRATO-HOTGVXAUSA-N 0 0 382.825 2.493 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-] ZINC000097271774 531935984 /nfs/dbraw/zinc/93/59/84/531935984.db2.gz LYHQDCFCLLRATO-CVEARBPZSA-N 0 0 382.825 2.493 20 5 GEBDRN O=[N+]([O-])c1cnccc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000116736252 531960684 /nfs/dbraw/zinc/96/06/84/531960684.db2.gz LCPBNVLGAGAICJ-UHFFFAOYSA-N 0 0 382.829 2.154 20 5 GEBDRN O=C(Cn1cc(Br)ccc1=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000114101383 531954575 /nfs/dbraw/zinc/95/45/75/531954575.db2.gz LBOHEYLGJSWTIF-UHFFFAOYSA-N 0 0 392.209 2.498 20 5 GEBDRN Cn1cnc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000120768062 531994435 /nfs/dbraw/zinc/99/44/35/531994435.db2.gz QCRADHDOLMGSSL-UHFFFAOYSA-N 0 0 375.332 2.151 20 5 GEBDRN COCCOC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173166635 531991623 /nfs/dbraw/zinc/99/16/23/531991623.db2.gz QKXJDWNQYYXAEM-LLVKDONJSA-N 0 0 387.230 2.482 20 5 GEBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]1c1ccccc1Br ZINC000121111108 532012654 /nfs/dbraw/zinc/01/26/54/532012654.db2.gz JNKSDWBPKYXTGT-LBPRGKRZSA-N 0 0 380.202 2.313 20 5 GEBDRN O=C(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Nc1cccnc1 ZINC000121187001 532016518 /nfs/dbraw/zinc/01/65/18/532016518.db2.gz IHYKESMVKWAPBK-UHFFFAOYSA-N 0 0 379.170 2.121 20 5 GEBDRN Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C2 ZINC000121336724 532022938 /nfs/dbraw/zinc/02/29/38/532022938.db2.gz UJSAPFSGKMCYQU-LLVKDONJSA-N 0 0 384.845 2.355 20 5 GEBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)ccc1Br ZINC000121535171 532034606 /nfs/dbraw/zinc/03/46/06/532034606.db2.gz DRBAXGDNHCUATJ-ZDUSSCGKSA-N 0 0 391.243 2.158 20 5 GEBDRN O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000174234682 532056448 /nfs/dbraw/zinc/05/64/48/532056448.db2.gz RVZZCCLZVSFCPO-NSHDSACASA-N 0 0 384.801 2.057 20 5 GEBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000174685007 532074571 /nfs/dbraw/zinc/07/45/71/532074571.db2.gz YKHVDMKWYRAINO-GFCCVEGCSA-N 0 0 380.817 2.383 20 5 GEBDRN C[C@H](Oc1cccc(Br)c1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000122615102 532076734 /nfs/dbraw/zinc/07/67/34/532076734.db2.gz PBOCPUGUBWNGCX-JTQLQIEISA-N 0 0 383.202 2.138 20 5 GEBDRN C[C@@H]1COCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000122803065 532084047 /nfs/dbraw/zinc/08/40/47/532084047.db2.gz FLVUDQDNAQPDBC-MRVPVSSYSA-N 0 0 376.150 2.060 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000123029837 532090453 /nfs/dbraw/zinc/09/04/53/532090453.db2.gz MZRSLRCXCFOHIK-NSHDSACASA-N 0 0 388.751 2.244 20 5 GEBDRN Cc1cc(C)n(C[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CCO2)n1 ZINC000123705369 532106367 /nfs/dbraw/zinc/10/63/67/532106367.db2.gz CERMIMIFUQJYLY-GFCCVEGCSA-N 0 0 396.245 2.471 20 5 GEBDRN CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000123787060 532107066 /nfs/dbraw/zinc/10/70/66/532107066.db2.gz NWDXTUYWOQXUHB-GFCCVEGCSA-N 0 0 389.861 2.093 20 5 GEBDRN CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000175647486 532110001 /nfs/dbraw/zinc/11/00/01/532110001.db2.gz PIUPVPGIUPFGDJ-LYSPQLLHSA-N 0 0 378.447 2.092 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)N[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123976962 532111643 /nfs/dbraw/zinc/11/16/43/532111643.db2.gz FGPUCHSBVQHYHM-RKDXNWHRSA-N 0 0 392.275 2.037 20 5 GEBDRN CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000123475033 532099798 /nfs/dbraw/zinc/09/97/98/532099798.db2.gz OMTRDYDLSUTTEI-GFCCVEGCSA-N 0 0 389.499 2.282 20 5 GEBDRN Cc1sc(S(=O)(=O)NCCNC(=O)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000123505170 532100778 /nfs/dbraw/zinc/10/07/78/532100778.db2.gz YHNNQXDMBPCPMR-UHFFFAOYSA-N 0 0 389.499 2.330 20 5 GEBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000175874861 532117797 /nfs/dbraw/zinc/11/77/97/532117797.db2.gz XCXLHTHALXOAIG-XMMPIXPASA-N 0 0 382.463 2.373 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cc(F)ccc3F)CC2)s1 ZINC000175713458 532112088 /nfs/dbraw/zinc/11/20/88/532112088.db2.gz IUJBMJCYAPYRBI-UHFFFAOYSA-N 0 0 389.405 2.445 20 5 GEBDRN CC(C)(C)N1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1=O ZINC000124122071 532114960 /nfs/dbraw/zinc/11/49/60/532114960.db2.gz RECXENOWSRSNHY-LLVKDONJSA-N 0 0 398.257 2.415 20 5 GEBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1(c2cccc(Br)c2)CC1 ZINC000125657672 532139734 /nfs/dbraw/zinc/13/97/34/532139734.db2.gz NSYHWDLLKYHGRF-UHFFFAOYSA-N 0 0 392.209 2.325 20 5 GEBDRN CC(C)(C)C[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000128763743 532167551 /nfs/dbraw/zinc/16/75/51/532167551.db2.gz PIZHMEOXSLSYRK-SNVBAGLBSA-N 0 0 395.275 2.433 20 5 GEBDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000128787626 532168617 /nfs/dbraw/zinc/16/86/17/532168617.db2.gz WMKVZVKUIKAQSP-UWVGGRQHSA-N 0 0 386.246 2.319 20 5 GEBDRN O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000128429843 532164209 /nfs/dbraw/zinc/16/42/09/532164209.db2.gz SXDUUSIMBFFIDW-CHWSQXEVSA-N 0 0 398.257 2.340 20 5 GEBDRN O=C(c1ccccn1)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000177810061 532183114 /nfs/dbraw/zinc/18/31/14/532183114.db2.gz IPUDBWHOLZHRJR-UHFFFAOYSA-N 0 0 392.213 2.110 20 5 GEBDRN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177841851 532184317 /nfs/dbraw/zinc/18/43/17/532184317.db2.gz BUTNNWSSGFJWFK-SNVBAGLBSA-N 0 0 383.451 2.412 20 5 GEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCNc2ccccc2[N+](=O)[O-])s1 ZINC000129094833 532172672 /nfs/dbraw/zinc/17/26/72/532172672.db2.gz ADQHWJRUBLCVDE-UHFFFAOYSA-N 0 0 386.411 2.492 20 5 GEBDRN O=C(c1ccccn1)N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000177543725 532175363 /nfs/dbraw/zinc/17/53/63/532175363.db2.gz YAAMESDRAXJBGA-UHFFFAOYSA-N 0 0 392.213 2.110 20 5 GEBDRN Nc1c(C(=O)NCC(=O)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000178171424 532194975 /nfs/dbraw/zinc/19/49/75/532194975.db2.gz CHVAZPKCLKCWFQ-UHFFFAOYSA-N 0 0 393.197 2.308 20 5 GEBDRN CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000178289223 532198112 /nfs/dbraw/zinc/19/81/12/532198112.db2.gz PIQYQJLBOMFKKL-VIFPVBQESA-N 0 0 379.232 2.157 20 5 GEBDRN Cc1ccc([N+](=O)[O-])c(NCCNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000178556449 532205091 /nfs/dbraw/zinc/20/50/91/532205091.db2.gz FNEFSWMIFGPXIC-UHFFFAOYSA-N 0 0 376.847 2.404 20 5 GEBDRN CC(=O)N1CCCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000178691906 532210167 /nfs/dbraw/zinc/21/01/67/532210167.db2.gz NATGJSICXNDJDC-UHFFFAOYSA-N 0 0 384.230 2.360 20 5 GEBDRN CC(C)(C)C[C@H](O)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000178775411 532212445 /nfs/dbraw/zinc/21/24/45/532212445.db2.gz OKSPVFZIZBALPD-JTQLQIEISA-N 0 0 395.275 2.433 20 5 GEBDRN COC(=O)Cn1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cn1 ZINC000178833444 532213762 /nfs/dbraw/zinc/21/37/62/532213762.db2.gz NHGPLGTXPODOQL-UHFFFAOYSA-N 0 0 397.185 2.288 20 5 GEBDRN CC(C)(CCO)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000178827756 532213796 /nfs/dbraw/zinc/21/37/96/532213796.db2.gz CMMBGHPYCVHEEP-UHFFFAOYSA-N 0 0 381.248 2.044 20 5 GEBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1CO ZINC000178915644 532217407 /nfs/dbraw/zinc/21/74/07/532217407.db2.gz GWZYEKSPPBIYQB-KOLCDFICSA-N 0 0 393.259 2.187 20 5 GEBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CCCC[C@H]1CO ZINC000178915674 532217940 /nfs/dbraw/zinc/21/79/40/532217940.db2.gz GWZYEKSPPBIYQB-ONGXEEELSA-N 0 0 393.259 2.187 20 5 GEBDRN C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000179422523 532230912 /nfs/dbraw/zinc/23/09/12/532230912.db2.gz UQTJGMNRCURZKY-VIFPVBQESA-N 0 0 385.218 2.490 20 5 GEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000133368198 532233801 /nfs/dbraw/zinc/23/38/01/532233801.db2.gz OTAZAMZZTQNYSA-UONOGXRCSA-N 0 0 396.241 2.169 20 5 GEBDRN O=c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cccn1CC(F)(F)F ZINC000132816590 532222204 /nfs/dbraw/zinc/22/22/04/532222204.db2.gz SQQUOFFERQAMLC-UHFFFAOYSA-N 0 0 377.300 2.120 20 5 GEBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CCOCC1 ZINC000133019280 532224917 /nfs/dbraw/zinc/22/49/17/532224917.db2.gz KESWOOLGEQMFTR-VIFPVBQESA-N 0 0 393.259 2.451 20 5 GEBDRN CC(C)[C@@](C)(O)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000179253712 532226535 /nfs/dbraw/zinc/22/65/35/532226535.db2.gz BEARYLRZTVNLLJ-ZDUSSCGKSA-N 0 0 392.193 2.336 20 5 GEBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000133962645 532246518 /nfs/dbraw/zinc/24/65/18/532246518.db2.gz YNZBTICLJNQWNP-NOZJJQNGSA-N 0 0 393.259 2.187 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc(I)cn1 ZINC000134051326 532248890 /nfs/dbraw/zinc/24/88/90/532248890.db2.gz HFYIGNUPBXRBAN-UHFFFAOYSA-N 0 0 386.149 2.343 20 5 GEBDRN CCCCNC(=O)[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179577722 532236885 /nfs/dbraw/zinc/23/68/85/532236885.db2.gz ZOAXJHXELNLGBS-LLVKDONJSA-N 0 0 389.499 2.193 20 5 GEBDRN CN(CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CC(F)(F)F ZINC000180404367 532270200 /nfs/dbraw/zinc/27/02/00/532270200.db2.gz FXRARWWPSMSBMW-UHFFFAOYSA-N 0 0 375.394 2.356 20 5 GEBDRN Cc1nnc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1C1CC1 ZINC000180199974 532260744 /nfs/dbraw/zinc/26/07/44/532260744.db2.gz YMUNGHXINBKVPN-UHFFFAOYSA-N 0 0 394.229 2.451 20 5 GEBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)[C@H]1CCOC1 ZINC000135039478 532266179 /nfs/dbraw/zinc/26/61/79/532266179.db2.gz BVHTUOCMNGBSOQ-IUCAKERBSA-N 0 0 390.177 2.354 20 5 GEBDRN COCCOC[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180347721 532268090 /nfs/dbraw/zinc/26/80/90/532268090.db2.gz MTKKUTAGSZTVCV-LLVKDONJSA-N 0 0 387.230 2.482 20 5 GEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000135491819 532274581 /nfs/dbraw/zinc/27/45/81/532274581.db2.gz CCLIMQGOWPSZCT-AWEZNQCLSA-N 0 0 380.809 2.436 20 5 GEBDRN C[C@H](CCS(C)(=O)=O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000136695079 532286852 /nfs/dbraw/zinc/28/68/52/532286852.db2.gz JQURZRKCKVSAOI-SNVBAGLBSA-N 0 0 383.451 2.271 20 5 GEBDRN O=C(NCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000146859689 532299141 /nfs/dbraw/zinc/29/91/41/532299141.db2.gz NKCQGKHNTOBZAF-UHFFFAOYSA-N 0 0 389.842 2.018 20 5 GEBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000150924775 532304232 /nfs/dbraw/zinc/30/42/32/532304232.db2.gz GENWPUHCZCBDNY-GXTWGEPZSA-N 0 0 394.229 2.409 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)c(Cl)c1 ZINC000151155320 532307776 /nfs/dbraw/zinc/30/77/76/532307776.db2.gz PFXSRADZXXQBEP-ZDUSSCGKSA-N 0 0 383.813 2.485 20 5 GEBDRN O=[N+]([O-])c1ccc(NCCS(=O)(=O)NCC2CCC2)cc1OC(F)F ZINC000181068925 532290254 /nfs/dbraw/zinc/29/02/54/532290254.db2.gz YYHPDGWYZQITJM-UHFFFAOYSA-N 0 0 379.385 2.328 20 5 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O=[N+]([O-])c1cncc(Br)c1N1CCN(Cc2ccncc2)CC1 ZINC000270302589 646101627 /nfs/dbraw/zinc/10/16/27/646101627.db2.gz AWLXFWIGFCYLEE-UHFFFAOYSA-N 0 0 378.230 2.470 20 5 GEBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@H]1O ZINC000270557445 646119386 /nfs/dbraw/zinc/11/93/86/646119386.db2.gz JTUUTSYFNZOIQY-PRHODGIISA-N 0 0 390.177 2.042 20 5 GEBDRN CCS(=O)(=O)CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000270761275 646136045 /nfs/dbraw/zinc/13/60/45/646136045.db2.gz MJCXZJFQHZIQKV-UHFFFAOYSA-N 0 0 397.222 2.003 20 5 GEBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000270882265 646146912 /nfs/dbraw/zinc/14/69/12/646146912.db2.gz DADLCJUJSLFJGT-ZBFHGGJFSA-N 0 0 386.495 2.111 20 5 GEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC(=O)N2CCc3ccccc32)s1 ZINC000271253864 646184646 /nfs/dbraw/zinc/18/46/46/646184646.db2.gz JPDZVZJGQWVOFG-UHFFFAOYSA-N 0 0 381.435 2.061 20 5 GEBDRN CN(C)C(=O)c1cccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000271301085 646187969 /nfs/dbraw/zinc/18/79/69/646187969.db2.gz QVLFRXHIHGAWOU-UHFFFAOYSA-N 0 0 383.451 2.374 20 5 GEBDRN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000271306736 646188832 /nfs/dbraw/zinc/18/88/32/646188832.db2.gz VRKUJIVBSMUGBD-RKDXNWHRSA-N 0 0 379.232 2.203 20 5 GEBDRN CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000271743911 646227698 /nfs/dbraw/zinc/22/76/98/646227698.db2.gz WXRVFRUYQBBEJK-OIBJUYFYSA-N 0 0 388.389 2.004 20 5 GEBDRN CCCc1cnc(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)s1 ZINC000271974493 646244527 /nfs/dbraw/zinc/24/45/27/646244527.db2.gz XPLMYNPARBUIKI-UHFFFAOYSA-N 0 0 384.439 2.212 20 5 GEBDRN CC(C)N(CCS(C)(=O)=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272343205 646267962 /nfs/dbraw/zinc/26/79/62/646267962.db2.gz CBGWYKOOYKWPOU-UHFFFAOYSA-N 0 0 391.877 2.255 20 5 GEBDRN CO[C@H](C)c1nc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000272555980 646277536 /nfs/dbraw/zinc/27/75/36/646277536.db2.gz UQMYZNVROGLANG-LLVKDONJSA-N 0 0 385.467 2.421 20 5 GEBDRN CS(=O)(=O)CCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000272561394 646278236 /nfs/dbraw/zinc/27/82/36/646278236.db2.gz SDJPONZEFXAWHC-UHFFFAOYSA-N 0 0 389.861 2.009 20 5 GEBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2sccc2C1 ZINC000273225189 646311119 /nfs/dbraw/zinc/31/11/19/646311119.db2.gz VKNUONLUBMTLPT-UHFFFAOYSA-N 0 0 382.419 2.190 20 5 GEBDRN O=[N+]([O-])c1cc(I)ccc1OS(=O)(=O)CCCF ZINC000274781795 646331103 /nfs/dbraw/zinc/33/11/03/646331103.db2.gz ZSJLUXMKUXAXAR-UHFFFAOYSA-N 0 0 389.142 2.268 20 5 GEBDRN COc1c(S(=O)(=O)N2CCCO2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000277139315 646382301 /nfs/dbraw/zinc/38/23/01/646382301.db2.gz ZZTJYBQHAFYOSB-UHFFFAOYSA-N 0 0 381.204 2.000 20 5 GEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277360433 646407782 /nfs/dbraw/zinc/40/77/82/646407782.db2.gz GYBHWLNNOAEPHK-ZANVPECISA-N 0 0 382.360 2.138 20 5 GEBDRN CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000277483877 646429402 /nfs/dbraw/zinc/42/94/02/646429402.db2.gz RGIQRSYTERPDMB-VIFPVBQESA-N 0 0 380.344 2.413 20 5 GEBDRN CCS(=O)(=O)C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000277495277 646431351 /nfs/dbraw/zinc/43/13/51/646431351.db2.gz ALJPGLBQFMFNSL-UHFFFAOYSA-N 0 0 378.248 2.156 20 5 GEBDRN CS(=O)(=O)[C@H]1CCCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000277500790 646432728 /nfs/dbraw/zinc/43/27/28/646432728.db2.gz AWEPAPWIWDOZER-JTQLQIEISA-N 0 0 378.248 2.156 20 5 GEBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277502390 646432780 /nfs/dbraw/zinc/43/27/80/646432780.db2.gz PLTMPQOINPCMJP-YPMHNXCESA-N 0 0 382.360 2.060 20 5 GEBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277502383 646432805 /nfs/dbraw/zinc/43/28/05/646432805.db2.gz PLTMPQOINPCMJP-AAEUAGOBSA-N 0 0 382.360 2.060 20 5 GEBDRN C[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000277635537 646455095 /nfs/dbraw/zinc/45/50/95/646455095.db2.gz CNFJHMNWHBNCKD-SCZZXKLOSA-N 0 0 379.232 2.061 20 5 GEBDRN CC[C@H](CCO)CNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000277862296 646479017 /nfs/dbraw/zinc/47/90/17/646479017.db2.gz OEEGYYREHXPYHS-MRVPVSSYSA-N 0 0 399.238 2.183 20 5 GEBDRN O=C(Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1)N1CCSCC1 ZINC000277860763 646479093 /nfs/dbraw/zinc/47/90/93/646479093.db2.gz HMQYGMYNRKKBAW-UHFFFAOYSA-N 0 0 380.451 2.388 20 5 GEBDRN COCCOC(=O)CS[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000278288475 646510562 /nfs/dbraw/zinc/51/05/62/646510562.db2.gz GPZFCHVAJUKKEG-VIFPVBQESA-N 0 0 376.818 2.498 20 5 GEBDRN O=[N+]([O-])c1cc(CNS(=O)(=O)CC2CCOCC2)cc(C(F)(F)F)c1 ZINC000278440551 646519780 /nfs/dbraw/zinc/51/97/80/646519780.db2.gz UJUWWFIUOKHHBT-UHFFFAOYSA-N 0 0 382.360 2.460 20 5 GEBDRN CN(CCCCCO)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000278872005 646559518 /nfs/dbraw/zinc/55/95/18/646559518.db2.gz YSCFEASQKFMUSZ-UHFFFAOYSA-N 0 0 381.248 2.140 20 5 GEBDRN Cc1c(Br)cc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000278876978 646560095 /nfs/dbraw/zinc/56/00/95/646560095.db2.gz CNOHKSNMKQUNOX-HNNXBMFYSA-N 0 0 382.214 2.018 20 5 GEBDRN CC[C@@]1(C)NC(=O)N(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1=O ZINC000278932868 646563807 /nfs/dbraw/zinc/56/38/07/646563807.db2.gz XMUJZPLOTOCPOJ-CQSZACIVSA-N 0 0 399.201 2.031 20 5 GEBDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)CCO2 ZINC000279430301 646600956 /nfs/dbraw/zinc/60/09/56/646600956.db2.gz LFZCOVRBTGCBOE-ZUZCIYMTSA-N 0 0 385.214 2.377 20 5 GEBDRN CCS(=O)(=O)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000279565652 646612107 /nfs/dbraw/zinc/61/21/07/646612107.db2.gz UKTNBIWEMXBVFQ-UHFFFAOYSA-N 0 0 390.845 2.438 20 5 GEBDRN C[C@@H]1OCC[C@]12CN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279831201 646631767 /nfs/dbraw/zinc/63/17/67/646631767.db2.gz QZUVZQSLNIWQNB-ZETOZRRWSA-N 0 0 390.845 2.205 20 5 GEBDRN C[C@@H](CS(C)(=O)=O)N(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000279835173 646632215 /nfs/dbraw/zinc/63/22/15/646632215.db2.gz NQIIZLQTUUFCMF-VIFPVBQESA-N 0 0 392.836 2.354 20 5 GEBDRN COC(=O)[C@@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000280004834 646644501 /nfs/dbraw/zinc/64/45/01/646644501.db2.gz RZHACYWYYBCPIJ-RNFRBKRXSA-N 0 0 377.216 2.300 20 5 GEBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000280031677 646646941 /nfs/dbraw/zinc/64/69/41/646646941.db2.gz RMJNNXXKMBHVEA-JOYOIKCWSA-N 0 0 383.177 2.365 20 5 GEBDRN C[C@@]1(O)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000280141327 646654936 /nfs/dbraw/zinc/65/49/36/646654936.db2.gz BVDMTLJIOBAUNG-CYBMUJFWSA-N 0 0 393.259 2.283 20 5 GEBDRN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cn1 ZINC000280444346 646682957 /nfs/dbraw/zinc/68/29/57/646682957.db2.gz YHJOPDSBACTTGS-VIFPVBQESA-N 0 0 383.206 2.009 20 5 GEBDRN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@]2(CCOC2)O1 ZINC000280471664 646685231 /nfs/dbraw/zinc/68/52/31/646685231.db2.gz MYUUQZKYPVSVME-BMIGLBTASA-N 0 0 385.214 2.377 20 5 GEBDRN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280624419 646699127 /nfs/dbraw/zinc/69/91/27/646699127.db2.gz SBJQJDWJUIOBKP-BMIGLBTASA-N 0 0 385.214 2.377 20 5 GEBDRN Cc1c(NC(=O)NCC(=O)NCC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000280648318 646702013 /nfs/dbraw/zinc/70/20/13/646702013.db2.gz BWBHQTNQEVPLAJ-UHFFFAOYSA-N 0 0 395.160 2.169 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)NCC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280722568 646709664 /nfs/dbraw/zinc/70/96/64/646709664.db2.gz JBOKBOZZKAZDHM-JOCHJYFZSA-N 0 0 380.875 2.136 20 5 GEBDRN Cc1c(NC(=O)N(C[C@@H](C)O)[C@@H](C)CO)cc(Br)cc1[N+](=O)[O-] ZINC000280848999 646724898 /nfs/dbraw/zinc/72/48/98/646724898.db2.gz WZFCTJNCLOIJPJ-DTWKUNHWSA-N 0 0 390.234 2.261 20 5 GEBDRN O=[N+]([O-])c1cc(I)ccc1NC[C@H](CO)[C@H]1CCOC1 ZINC000281028862 646738890 /nfs/dbraw/zinc/73/88/90/646738890.db2.gz QGCVSEGGTKRYTM-VHSXEESVSA-N 0 0 392.193 2.256 20 5 GEBDRN CCOC(=O)[C@@H](CCOC)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000281040142 646741083 /nfs/dbraw/zinc/74/10/83/646741083.db2.gz DIFLEELKRGSQGW-LLVKDONJSA-N 0 0 390.845 2.425 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000281089663 646745094 /nfs/dbraw/zinc/74/50/94/646745094.db2.gz VXXFUWJTEIKJIX-XHDPSFHLSA-N 0 0 390.845 2.125 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000281177984 646751512 /nfs/dbraw/zinc/75/15/12/646751512.db2.gz NEDXGKLNYQAPRW-STFLBKPXSA-N 0 0 380.875 2.088 20 5 GEBDRN CCOC(=O)[C@H]1CSCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000281184282 646752383 /nfs/dbraw/zinc/75/23/83/646752383.db2.gz NSBRNKIXZHXWLK-SNVBAGLBSA-N 0 0 394.858 2.183 20 5 GEBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@]2(CCOC2)O1 ZINC000281360877 646764822 /nfs/dbraw/zinc/76/48/22/646764822.db2.gz ZKLPEDJWEXEAJJ-BMIGLBTASA-N 0 0 385.214 2.377 20 5 GEBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281945846 646805265 /nfs/dbraw/zinc/80/52/65/646805265.db2.gz 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C[C@@H]1c2nncn2CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480880809 650636366 /nfs/dbraw/zinc/63/63/66/650636366.db2.gz JKKYNRSFEDVSHI-SSDOTTSWSA-N 0 0 392.224 2.259 20 5 GEBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCC(C(F)F)CC1)OCCO2 ZINC000481079012 650640588 /nfs/dbraw/zinc/64/05/88/650640588.db2.gz WTLDYJNBXAIUDP-UHFFFAOYSA-N 0 0 378.353 2.032 20 5 GEBDRN CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000481228185 650641981 /nfs/dbraw/zinc/64/19/81/650641981.db2.gz LIXLWVYGOZBQKM-QMMMGPOBSA-N 0 0 384.332 2.343 20 5 GEBDRN Cc1sc(S(=O)(=O)N(C)[C@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000481238786 650642291 /nfs/dbraw/zinc/64/22/91/650642291.db2.gz YPQOGNNJXIWCIM-CYBMUJFWSA-N 0 0 383.451 2.202 20 5 GEBDRN CCS[C@H]1CCC[C@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000481378884 650645504 /nfs/dbraw/zinc/64/55/04/650645504.db2.gz YBBVDHSBGUCRIM-YGRLFVJLSA-N 0 0 388.467 2.319 20 5 GEBDRN CN(C)[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000525184963 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2.454 20 5 GEBDRN COC(=O)c1c(C)c(NC(=O)c2cc([N+](=O)[O-])nn2C)ccc1Br ZINC000486281190 650710453 /nfs/dbraw/zinc/71/04/53/650710453.db2.gz GDRGWRZCPPVVGV-UHFFFAOYSA-N 0 0 397.185 2.438 20 5 GEBDRN COCC[C@@]1(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000487461649 650734051 /nfs/dbraw/zinc/73/40/51/650734051.db2.gz JKZJLPKKGPXCCD-GFCCVEGCSA-N 0 0 379.232 2.344 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccncc3Cl)CC2)cc1 ZINC000531410694 650738291 /nfs/dbraw/zinc/73/82/91/650738291.db2.gz HWQCTOYTDGJJSG-UHFFFAOYSA-N 0 0 382.829 2.154 20 5 GEBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cc(C)ns1 ZINC000487966654 650740186 /nfs/dbraw/zinc/74/01/86/650740186.db2.gz XJANIEHVIRUUFE-VIFPVBQESA-N 0 0 384.439 2.443 20 5 GEBDRN CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000011837623 642370710 /nfs/dbraw/zinc/37/07/10/642370710.db2.gz CBCMHYMUFQFORG-ZYHUDNBSSA-N 0 0 390.845 2.051 20 5 GEBDRN C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1ncccn1 ZINC000012815535 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C[C@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])S(C)(=O)=O ZINC000533127671 650757903 /nfs/dbraw/zinc/75/79/03/650757903.db2.gz QCQWZIOARYFXRX-MRVPVSSYSA-N 0 0 388.243 2.172 20 5 GEBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCO1 ZINC000033229672 642503898 /nfs/dbraw/zinc/50/38/98/642503898.db2.gz OSGQKIOQPXCXOL-MRVPVSSYSA-N 0 0 376.150 2.060 20 5 GEBDRN CC[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000036326390 642508626 /nfs/dbraw/zinc/50/86/26/642508626.db2.gz OUSBZAGVGJSMRN-SECBINFHSA-N 0 0 390.177 2.450 20 5 GEBDRN C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000036640277 642508651 /nfs/dbraw/zinc/50/86/51/642508651.db2.gz SNGGLPWFXOQVKM-LURJTMIESA-N 0 0 376.320 2.038 20 5 GEBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000038039586 642516155 /nfs/dbraw/zinc/51/61/55/642516155.db2.gz HRNHBKRVASPZQZ-DTORHVGOSA-N 0 0 379.232 2.155 20 5 GEBDRN CC(C)OCCCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000040445995 642523642 /nfs/dbraw/zinc/52/36/42/642523642.db2.gz 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ZINC000533359818 650760290 /nfs/dbraw/zinc/76/02/90/650760290.db2.gz MRKABFKGJKNNGV-STQMWFEESA-N 0 0 392.209 2.191 20 5 GEBDRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000044284854 642573513 /nfs/dbraw/zinc/57/35/13/642573513.db2.gz SCBNXXCSWQNGSP-UHFFFAOYSA-N 0 0 385.423 2.168 20 5 GEBDRN CCn1cc(S(=O)(=O)NCC2(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])n1 ZINC000533634700 650764079 /nfs/dbraw/zinc/76/40/79/650764079.db2.gz LMAZEGCQDLTEMZ-UHFFFAOYSA-N 0 0 384.845 2.475 20 5 GEBDRN CCn1cc(S(=O)(=O)NC[C@@H]2SCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000533635162 650764081 /nfs/dbraw/zinc/76/40/81/650764081.db2.gz MZNIQKOIJKYGTR-ZDUSSCGKSA-N 0 0 382.467 2.120 20 5 GEBDRN COC(=O)C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000045805203 642597427 /nfs/dbraw/zinc/59/74/27/642597427.db2.gz ABYFBTMCSZCYSF-CYBMUJFWSA-N 0 0 384.435 2.380 20 5 GEBDRN COC(=O)c1cc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])oc1C ZINC000046803223 642616355 /nfs/dbraw/zinc/61/63/55/642616355.db2.gz HYKYWSZPZCEWMA-UHFFFAOYSA-N 0 0 388.785 2.415 20 5 GEBDRN COCC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000490314589 650771267 /nfs/dbraw/zinc/77/12/67/650771267.db2.gz IKYGLNCXEXHVQV-UHFFFAOYSA-N 0 0 381.248 2.308 20 5 GEBDRN O=[N+]([O-])c1cc(CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)cs1 ZINC000047172169 642623223 /nfs/dbraw/zinc/62/32/23/642623223.db2.gz MDSDGKYMNUFMHJ-MRVPVSSYSA-N 0 0 375.453 2.309 20 5 GEBDRN CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000047345100 642630373 /nfs/dbraw/zinc/63/03/73/642630373.db2.gz PTNKPLXDCYFALK-SNVBAGLBSA-N 0 0 390.849 2.041 20 5 GEBDRN COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(F)c(Br)c2)c1=O ZINC000047368930 642630912 /nfs/dbraw/zinc/63/09/12/642630912.db2.gz REEHPROPGBVZNH-UHFFFAOYSA-N 0 0 385.145 2.493 20 5 GEBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000490565372 650776347 /nfs/dbraw/zinc/77/63/47/650776347.db2.gz MQJGUOOKCVENRZ-GFCCVEGCSA-N 0 0 380.202 2.313 20 5 GEBDRN O=C(NCc1n[nH]cc1Br)N1CCc2c(cccc2[N+](=O)[O-])C1 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Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000558041629 532382096 /nfs/dbraw/zinc/38/20/96/532382096.db2.gz LDAHKYRLDQYPDG-LBPRGKRZSA-N 0 0 386.177 2.298 20 5 GEBDRN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278528195 532383744 /nfs/dbraw/zinc/38/37/44/532383744.db2.gz ZWUBQUKWWJEMAX-BDAKNGLRSA-N 0 0 382.364 2.138 20 5 GEBDRN O=[N+]([O-])c1cncc(Br)c1N[C@H]1CCCN(c2cccnn2)C1 ZINC000372320860 532384695 /nfs/dbraw/zinc/38/46/95/532384695.db2.gz HATVUOHMVHHVHP-JTQLQIEISA-N 0 0 379.218 2.045 20 5 GEBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C)S1(=O)=O ZINC000294831629 532385247 /nfs/dbraw/zinc/38/52/47/532385247.db2.gz WIEIPWXJKGHFGX-RKDXNWHRSA-N 0 0 380.344 2.261 20 5 GEBDRN Cn1ccnc1CN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425404930 532385797 /nfs/dbraw/zinc/38/57/97/532385797.db2.gz MOHOIPPWJFMBAV-UHFFFAOYSA-N 0 0 394.273 2.409 20 5 GEBDRN CSC[C@H]1CCCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000558134604 532386608 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2.392 20 5 GEBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@H](C)N1CCOCC1 ZINC000192347009 532403251 /nfs/dbraw/zinc/40/32/51/532403251.db2.gz DKZRYGZDJWLFBF-QWRGUYRKSA-N 0 0 386.246 2.196 20 5 GEBDRN CCc1csc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000464745040 532403453 /nfs/dbraw/zinc/40/34/53/532403453.db2.gz RKTDZKQGLHGYHD-UHFFFAOYSA-N 0 0 382.467 2.125 20 5 GEBDRN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC000295105461 532404252 /nfs/dbraw/zinc/40/42/52/532404252.db2.gz HSAXFCOKNAPHJU-VIFPVBQESA-N 0 0 389.279 2.327 20 5 GEBDRN Cc1cc(S(=O)(=O)NCc2ccc([S@](C)=O)cc2)c(C)cc1[N+](=O)[O-] ZINC000591326470 532407473 /nfs/dbraw/zinc/40/74/73/532407473.db2.gz INNFAYHUYRVPPD-DEOSSOPVSA-N 0 0 382.463 2.428 20 5 GEBDRN CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000591327408 532407482 /nfs/dbraw/zinc/40/74/82/532407482.db2.gz SVWZAUWCYCIMQH-SNVBAGLBSA-N 0 0 381.376 2.328 20 5 GEBDRN CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295137753 532408041 /nfs/dbraw/zinc/40/80/41/532408041.db2.gz KPKXVFXYSYTXNN-SNVBAGLBSA-N 0 0 396.252 2.191 20 5 GEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2cccc(Br)c2n1 ZINC000465060825 532409890 /nfs/dbraw/zinc/40/98/90/532409890.db2.gz VXKGXSFSCIXXPE-UHFFFAOYSA-N 0 0 390.197 3.049 20 5 GEBDRN Cc1csc(CCNc2c(I)cncc2[N+](=O)[O-])n1 ZINC000591364379 532410438 /nfs/dbraw/zinc/41/04/38/532410438.db2.gz ZZRAAKQLRQNYCJ-UHFFFAOYSA-N 0 0 390.206 2.436 20 5 GEBDRN CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295156313 532410727 /nfs/dbraw/zinc/41/07/27/532410727.db2.gz ODWDVZVBPPMYNN-SECBINFHSA-N 0 0 397.236 2.270 20 5 GEBDRN Cc1ccnc2c1NC(=O)CN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000372837435 532413357 /nfs/dbraw/zinc/41/33/57/532413357.db2.gz KLLSYLCBQUGPAR-UHFFFAOYSA-N 0 0 382.785 2.099 20 5 GEBDRN CN(C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000465506561 532416977 /nfs/dbraw/zinc/41/69/77/532416977.db2.gz SGOUIGLKOVVNFA-UHFFFAOYSA-N 0 0 389.861 2.318 20 5 GEBDRN COc1ccc(CSCC(=O)N2CC[S@](=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000372871673 532416383 /nfs/dbraw/zinc/41/63/83/532416383.db2.gz RCNVOXXSHRUKKS-YDBLSZJJSA-N 0 0 386.495 2.064 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000295197887 532417452 /nfs/dbraw/zinc/41/74/52/532417452.db2.gz MMMWCXFZPASTCD-UHFFFAOYSA-N 0 0 387.849 2.116 20 5 GEBDRN O=C1[C@H](Nc2ncc([N+](=O)[O-])cn2)CCN1c1cccc(Br)c1 ZINC000372942417 532421054 /nfs/dbraw/zinc/42/10/54/532421054.db2.gz BLUHBFVHTKTJGZ-GFCCVEGCSA-N 0 0 378.186 2.365 20 5 GEBDRN COC(=O)CC1(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CCC1 ZINC000427280303 532419278 /nfs/dbraw/zinc/41/92/78/532419278.db2.gz LBCRMXPSBKMUJP-UHFFFAOYSA-N 0 0 376.818 2.321 20 5 GEBDRN CN(C)C(=O)O[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295230996 532422963 /nfs/dbraw/zinc/42/29/63/532422963.db2.gz IKNRNTNOZCHEPO-NSHDSACASA-N 0 0 391.833 2.100 20 5 GEBDRN COCCC1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000591785877 532423415 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O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)CCOCC(F)(F)F)cc1 ZINC000567281834 532648142 /nfs/dbraw/zinc/64/81/42/532648142.db2.gz QASUJJSPGRWGML-UHFFFAOYSA-N 0 0 382.360 2.468 20 5 GEBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC2(C1)CCCOC2 ZINC000377284653 532648382 /nfs/dbraw/zinc/64/83/82/532648382.db2.gz BMHRDRZLORPEKU-UHFFFAOYSA-N 0 0 391.243 2.158 20 5 GEBDRN C[C@@H]1CC[S@@](=O)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000377300770 532649725 /nfs/dbraw/zinc/64/97/25/532649725.db2.gz XOECWZAVZDWWST-AOUSDQRYSA-N 0 0 375.244 2.340 20 5 GEBDRN CN(C)C(=O)[C@@](C)(NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000598856472 532650732 /nfs/dbraw/zinc/65/07/32/532650732.db2.gz WWOHHNHIBXMCDV-CYBMUJFWSA-N 0 0 379.360 2.212 20 5 GEBDRN O=[N+]([O-])c1cc(I)ccc1NC[C@@H](O)[C@@H]1CCCO1 ZINC000599130906 532651905 /nfs/dbraw/zinc/65/19/05/532651905.db2.gz LEKXQBDDJYUSTE-NEPJUHHUSA-N 0 0 378.166 2.151 20 5 GEBDRN Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000285173315 532653808 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382.360 2.145 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451980977 650160819 /nfs/dbraw/zinc/16/08/19/650160819.db2.gz FIJMNBPZPLMTAC-RDDDGLTNSA-N 0 0 388.751 2.182 20 5 GEBDRN CC[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000451980648 650160904 /nfs/dbraw/zinc/16/09/04/650160904.db2.gz RVOFNMKBFRHNCN-NEPJUHHUSA-N 0 0 381.248 2.185 20 5 GEBDRN CO[C@@H]([C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000451993119 650163162 /nfs/dbraw/zinc/16/31/62/650163162.db2.gz OYJLQJRDNLPKCY-OQPBUACISA-N 0 0 393.259 2.449 20 5 GEBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451994156 650163201 /nfs/dbraw/zinc/16/32/01/650163201.db2.gz WAZOTPIIAFGDRU-GWCFXTLKSA-N 0 0 382.360 2.145 20 5 GEBDRN C[C@@H](O)CN(CC(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000452002813 650164583 /nfs/dbraw/zinc/16/45/83/650164583.db2.gz ZBFBWEXICSQEBE-SSDOTTSWSA-N 0 0 392.302 2.250 20 5 GEBDRN 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CCc1ccc(S(=O)(=O)N[C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000592053547 532437712 /nfs/dbraw/zinc/43/77/12/532437712.db2.gz GHUKLQSTDILYFP-MFKMUULPSA-N 0 0 382.360 2.281 20 5 GEBDRN O=C1CC[C@H](COc2ccc(I)cc2[N+](=O)[O-])CCN1 ZINC000295366584 532439238 /nfs/dbraw/zinc/43/92/38/532439238.db2.gz OZSFFFUEAXLEDM-VIFPVBQESA-N 0 0 390.177 2.495 20 5 GEBDRN Cc1c(Br)cc(C(=O)NC[C@@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000194268105 532445699 /nfs/dbraw/zinc/44/56/99/532445699.db2.gz DBMDHKGPIGFULM-MRVPVSSYSA-N 0 0 382.218 2.328 20 5 GEBDRN Cc1sc(S(=O)(=O)NCc2cc(F)cc3c2OCOC3)cc1[N+](=O)[O-] ZINC000467414817 532447034 /nfs/dbraw/zinc/44/70/34/532447034.db2.gz BIUWUEZPVVLEDM-UHFFFAOYSA-N 0 0 388.398 2.449 20 5 GEBDRN O=C(NCC1=CCCOC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000561712403 532447773 /nfs/dbraw/zinc/44/77/73/532447773.db2.gz NHEDFGFAYLWLLE-UHFFFAOYSA-N 0 0 388.161 2.276 20 5 GEBDRN C[C@H]1SCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000592325039 532449251 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GEBDRN COc1c(F)cc(S(=O)(=O)N2CCC=C(Br)C2)cc1[N+](=O)[O-] ZINC000282456112 532467540 /nfs/dbraw/zinc/46/75/40/532467540.db2.gz HOLCBKITOHQFSV-UHFFFAOYSA-N 0 0 395.206 2.416 20 5 GEBDRN O=C(N[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1)C1CCC1 ZINC000373879475 532477456 /nfs/dbraw/zinc/47/74/56/532477456.db2.gz CEMLMTHMEXYMCM-LLVKDONJSA-N 0 0 396.241 2.488 20 5 GEBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCS[C@H]2COCC[C@@H]21 ZINC000373948860 532480322 /nfs/dbraw/zinc/48/03/22/532480322.db2.gz ZGVJMPBRIBEDCK-QWRGUYRKSA-N 0 0 388.243 2.099 20 5 GEBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCOC[C@@H]1C ZINC000282667694 532486839 /nfs/dbraw/zinc/48/68/39/532486839.db2.gz VVNDGXQTLQETGE-ONGXEEELSA-N 0 0 393.259 2.369 20 5 GEBDRN CO[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000469019776 532487372 /nfs/dbraw/zinc/48/73/72/532487372.db2.gz PTMXDZCMJKTNIU-SNVBAGLBSA-N 0 0 376.740 2.494 20 5 GEBDRN Cc1sc(S(=O)(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000430018898 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2.187 20 5 GEBDRN CN([C@H]1CCCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269485203 646039018 /nfs/dbraw/zinc/03/90/18/646039018.db2.gz QGOUOTKLSAIBAA-NSHDSACASA-N 0 0 392.275 2.072 20 5 GEBDRN COCCC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000269484178 646039249 /nfs/dbraw/zinc/03/92/49/646039249.db2.gz MKGLPVUSICVMCJ-UHFFFAOYSA-N 0 0 393.259 2.452 20 5 GEBDRN C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269504725 646042599 /nfs/dbraw/zinc/04/25/99/646042599.db2.gz YGLNGXAXBFZUDD-VIFPVBQESA-N 0 0 378.332 2.177 20 5 GEBDRN COC[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269507090 646043040 /nfs/dbraw/zinc/04/30/40/646043040.db2.gz ZKFBFKMYTFRQMY-SECBINFHSA-N 0 0 379.232 2.014 20 5 GEBDRN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H]1CCN(C)C1=O ZINC000269664385 646049871 /nfs/dbraw/zinc/04/98/71/646049871.db2.gz POXRAAHEOZORHB-SECBINFHSA-N 0 0 390.621 2.313 20 5 GEBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[C@H](O)c1cccs1 ZINC000269790749 646058071 /nfs/dbraw/zinc/05/80/71/646058071.db2.gz YZXMAGNKKLRBCK-PWSUYJOCSA-N 0 0 386.451 2.455 20 5 GEBDRN CC(C)[C@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269805062 646061513 /nfs/dbraw/zinc/06/15/13/646061513.db2.gz LPTGKRZVSBZUFK-NSHDSACASA-N 0 0 381.248 2.043 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000269816715 646063431 /nfs/dbraw/zinc/06/34/31/646063431.db2.gz XKWXLPSYACFYFO-SNVBAGLBSA-N 0 0 387.801 2.482 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(CCS(C)(=O)=O)C(C)C ZINC000269856848 646068160 /nfs/dbraw/zinc/06/81/60/646068160.db2.gz HMXASJWGKDPKOS-UHFFFAOYSA-N 0 0 398.890 2.000 20 5 GEBDRN O=C(NC[C@H](O)C1CCOCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000269973414 646078392 /nfs/dbraw/zinc/07/83/92/646078392.db2.gz LWNJGHPVIVNBNZ-ZDUSSCGKSA-N 0 0 388.218 2.266 20 5 GEBDRN C[C@H](CO)CCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000270220665 646093296 /nfs/dbraw/zinc/09/32/96/646093296.db2.gz HLJWJJMFQLAZMB-VIFPVBQESA-N 0 0 381.248 2.044 20 5 GEBDRN NS(=O)(=O)c1cc(NCCc2nc3c(s2)CCCC3)cc([N+](=O)[O-])c1 ZINC000270750603 646134507 /nfs/dbraw/zinc/13/45/07/646134507.db2.gz AJYJMEDTDNXHFG-UHFFFAOYSA-N 0 0 382.467 2.232 20 5 GEBDRN CC[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000270774342 646137608 /nfs/dbraw/zinc/13/76/08/646137608.db2.gz HVFUPZXVUJYULL-LLVKDONJSA-N 0 0 377.413 2.164 20 5 GEBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCOc2ccc3c(c2)OCO3)s1 ZINC000271148822 646178077 /nfs/dbraw/zinc/17/80/77/646178077.db2.gz JRBDYZORODBSFQ-UHFFFAOYSA-N 0 0 386.407 2.279 20 5 GEBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000271310011 646190035 /nfs/dbraw/zinc/19/00/35/646190035.db2.gz YMKWFBFFHLTCFX-NXEZZACHSA-N 0 0 393.259 2.451 20 5 GEBDRN CC(C)(O)C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000271910298 646239491 /nfs/dbraw/zinc/23/94/91/646239491.db2.gz AGTVXSGGRFLKSF-UHFFFAOYSA-N 0 0 381.248 2.185 20 5 GEBDRN Cc1nc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1[C@H](C)O ZINC000272124163 646254700 /nfs/dbraw/zinc/25/47/00/646254700.db2.gz QUGAOQSEYKBDJF-JTQLQIEISA-N 0 0 385.829 2.483 20 5 GEBDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272195012 646262088 /nfs/dbraw/zinc/26/20/88/646262088.db2.gz CDMJEJKZQPTWCN-NSHDSACASA-N 0 0 391.877 2.255 20 5 GEBDRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272414417 646270453 /nfs/dbraw/zinc/27/04/53/646270453.db2.gz ZQGIHSVPHFWNRD-GHMZBOCLSA-N 0 0 389.861 2.008 20 5 GEBDRN CC1([C@H]2CCCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)OCCO1 ZINC000273129461 646306621 /nfs/dbraw/zinc/30/66/21/646306621.db2.gz SQVRLRQTNZCHIT-NSHDSACASA-N 0 0 390.845 2.412 20 5 GEBDRN CN(C)c1ncc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000273226473 646310853 /nfs/dbraw/zinc/31/08/53/646310853.db2.gz SZWYQZSRQSGBIG-UHFFFAOYSA-N 0 0 383.861 2.456 20 5 GEBDRN CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000274098385 646317108 /nfs/dbraw/zinc/31/71/08/646317108.db2.gz JNLPMZMHLFZBNO-LLVKDONJSA-N 0 0 377.260 2.366 20 5 GEBDRN CCN(CC(F)(F)F)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000274966471 646337802 /nfs/dbraw/zinc/33/78/02/646337802.db2.gz CCXWZAMAUAPNPA-UHFFFAOYSA-N 0 0 385.320 2.346 20 5 GEBDRN O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000275109015 646345735 /nfs/dbraw/zinc/34/57/35/646345735.db2.gz VVFIPMUDTFRKOX-UHFFFAOYSA-N 0 0 380.760 2.188 20 5 GEBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H](N2CCCC2=O)C1 ZINC000277447192 646422147 /nfs/dbraw/zinc/42/21/47/646422147.db2.gz JWLNCRZVKIIVKS-JTQLQIEISA-N 0 0 382.214 2.194 20 5 GEBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277468176 646426241 /nfs/dbraw/zinc/42/62/41/646426241.db2.gz JTRJATRQZGGCCV-GWCFXTLKSA-N 0 0 382.360 2.060 20 5 GEBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277492733 646430936 /nfs/dbraw/zinc/43/09/36/646430936.db2.gz OAPYTLFQNXHMCX-PELKAZGASA-N 0 0 386.323 2.058 20 5 GEBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[S@@](=O)C1 ZINC000277684708 646461572 /nfs/dbraw/zinc/46/15/72/646461572.db2.gz VJQWMJRSXWUQAX-JLTPVHFHSA-N 0 0 375.244 2.198 20 5 GEBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[S@](=O)C1 ZINC000277684700 646461743 /nfs/dbraw/zinc/46/17/43/646461743.db2.gz VJQWMJRSXWUQAX-BTKVJGODSA-N 0 0 375.244 2.198 20 5 GEBDRN C[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000277738792 646469065 /nfs/dbraw/zinc/46/90/65/646469065.db2.gz JZJDZNYQOFPRIP-WPRPVWTQSA-N 0 0 379.232 2.061 20 5 GEBDRN Cc1cnc(C2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)s1 ZINC000277777371 646470755 /nfs/dbraw/zinc/47/07/55/646470755.db2.gz WMFPCGKYAVVNGE-UHFFFAOYSA-N 0 0 382.467 2.391 20 5 GEBDRN CC(C)N1CC[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1=O ZINC000277780776 646471582 /nfs/dbraw/zinc/47/15/82/646471582.db2.gz UCPMDKDUTVPBRO-ZETCQYMHSA-N 0 0 376.232 2.158 20 5 GEBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC[S@@](=O)C1 ZINC000278140867 646496930 /nfs/dbraw/zinc/49/69/30/646496930.db2.gz NEGYEKDCECHNLF-JLTPVHFHSA-N 0 0 375.244 2.198 20 5 GEBDRN O=[N+]([O-])c1ccc2sc(-c3nc(CS(=O)(=O)NC4CC4)no3)cc2c1 ZINC000278252312 646506652 /nfs/dbraw/zinc/50/66/52/646506652.db2.gz ROKIZLHHGGYFOZ-UHFFFAOYSA-N 0 0 380.407 2.441 20 5 GEBDRN O=[N+]([O-])c1cnn(CCNc2ncc(Cn3cc(Br)cn3)s2)c1 ZINC000278266869 646508018 /nfs/dbraw/zinc/50/80/18/646508018.db2.gz AJARMABWAGGTKD-UHFFFAOYSA-N 0 0 398.246 2.367 20 5 GEBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000278288300 646510520 /nfs/dbraw/zinc/51/05/20/646510520.db2.gz BRAIEFMLAQSXRD-JQWIXIFHSA-N 0 0 389.861 2.004 20 5 GEBDRN C[C@@H]1COCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000278577946 646527092 /nfs/dbraw/zinc/52/70/92/646527092.db2.gz PXNDQQRIUBOKAO-PRHODGIISA-N 0 0 390.177 2.354 20 5 GEBDRN Cc1cc(Br)c(=O)n(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000278793316 646549861 /nfs/dbraw/zinc/54/98/61/646549861.db2.gz WOGHPBXDKPUWAU-UHFFFAOYSA-N 0 0 392.209 2.417 20 5 GEBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC(=O)N(CC2CC2)C1 ZINC000278828551 646554188 /nfs/dbraw/zinc/55/41/88/646554188.db2.gz OSPFFBXMIOQDOK-UHFFFAOYSA-N 0 0 383.202 2.401 20 5 GEBDRN Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000278964757 646567030 /nfs/dbraw/zinc/56/70/30/646567030.db2.gz BLLPXZTXQFZWGL-LLVKDONJSA-N 0 0 394.229 2.398 20 5 GEBDRN C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)CCO2 ZINC000279323925 646591165 /nfs/dbraw/zinc/59/11/65/646591165.db2.gz DMUZMVRYKIAOHL-BONVTDFDSA-N 0 0 385.214 2.377 20 5 GEBDRN CCS(=O)(=O)c1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])s1 ZINC000279861975 646634342 /nfs/dbraw/zinc/63/43/42/646634342.db2.gz GJTUFLQFZQZJCR-UHFFFAOYSA-N 0 0 386.455 2.226 20 5 GEBDRN COC(=O)C[C@@H]1CSCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279884167 646636624 /nfs/dbraw/zinc/63/66/24/646636624.db2.gz RXOVLBVJCRXHIJ-SNVBAGLBSA-N 0 0 390.820 2.437 20 5 GEBDRN COC[C@H](O)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280721428 646709472 /nfs/dbraw/zinc/70/94/72/646709472.db2.gz JQTXTMCOIIQWJA-SNVBAGLBSA-N 0 0 376.207 2.185 20 5 GEBDRN Cc1c(Br)cc(C(=O)N[C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000281075637 646743773 /nfs/dbraw/zinc/74/37/73/646743773.db2.gz NIYRAJXFNZVUGB-JTQLQIEISA-N 0 0 384.230 2.406 20 5 GEBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC1CCN(c2nccs2)CC1 ZINC000281485643 646774346 /nfs/dbraw/zinc/77/43/46/646774346.db2.gz KAMOEAKRKFYAOT-UHFFFAOYSA-N 0 0 386.430 2.138 20 5 GEBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC=C(Br)C1 ZINC000281776637 646798440 /nfs/dbraw/zinc/79/84/40/646798440.db2.gz KIMXXFJPTIXSRX-SNVBAGLBSA-N 0 0 382.214 2.224 20 5 GEBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCOC1 ZINC000282126326 646816581 /nfs/dbraw/zinc/81/65/81/646816581.db2.gz BYOACNVSGDSRER-SECBINFHSA-N 0 0 390.177 2.274 20 5 GEBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N1CCC[C@@H](O)C1 ZINC000283672073 646826330 /nfs/dbraw/zinc/82/63/30/646826330.db2.gz DYVIJFYXJXFXPW-SECBINFHSA-N 0 0 391.165 2.188 20 5 GEBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N1CCC[C@H](O)C1 ZINC000283672076 646826811 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/nfs/dbraw/zinc/19/70/12/652197012.db2.gz XSSWNVYTECNLKA-SECBINFHSA-N 0 0 384.332 2.005 20 5 GEBDRN Cc1c(Br)c(Nc2cnn(CC(=O)N(C)C)c2)ncc1[N+](=O)[O-] ZINC000577918161 652228662 /nfs/dbraw/zinc/22/86/62/652228662.db2.gz HOOZPILTNHKFJK-UHFFFAOYSA-N 0 0 383.206 2.089 20 5 GEBDRN O=C(NC[C@@H](O)c1ccncc1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000750492034 652296250 /nfs/dbraw/zinc/29/62/50/652296250.db2.gz ZGUGXIPDGGSDOO-GFCCVEGCSA-N 0 0 384.161 2.355 20 5 GEBDRN O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])NCC(=O)c1cccs1 ZINC000750535389 652297257 /nfs/dbraw/zinc/29/72/57/652297257.db2.gz NMQRNPMFCGKNOU-UHFFFAOYSA-N 0 0 382.781 2.466 20 5 GEBDRN O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000750962010 652315817 /nfs/dbraw/zinc/31/58/17/652315817.db2.gz BALWJEQINXOKQD-UHFFFAOYSA-N 0 0 385.130 2.319 20 5 GEBDRN COC(=O)N1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000751000958 652318918 /nfs/dbraw/zinc/31/89/18/652318918.db2.gz YGFKLLNRRRYKHB-SNVBAGLBSA-N 0 0 386.202 2.318 20 5 GEBDRN COc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000751223477 652332724 /nfs/dbraw/zinc/33/27/24/652332724.db2.gz XCLKBCFEWPUZBM-CYBMUJFWSA-N 0 0 386.813 2.269 20 5 GEBDRN CC[C@@H](C)[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751402591 652345475 /nfs/dbraw/zinc/34/54/75/652345475.db2.gz FZTMFRYTBDLVDB-KCJUWKMLSA-N 0 0 381.248 2.043 20 5 GEBDRN COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000751427129 652348182 /nfs/dbraw/zinc/34/81/82/652348182.db2.gz KAWPOFHFCNFRNK-CQSZACIVSA-N 0 0 386.813 2.269 20 5 GEBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000751438116 652350051 /nfs/dbraw/zinc/35/00/51/652350051.db2.gz QQZCCVIOVLVBQB-JTQLQIEISA-N 0 0 392.220 2.309 20 5 GEBDRN CC[C@@H](C[C@H](C)CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000751468756 652354342 /nfs/dbraw/zinc/35/43/42/652354342.db2.gz UAOLOONTACBMNH-UWVGGRQHSA-N 0 0 395.275 2.433 20 5 GEBDRN CC[C@@H](C[C@H](C)CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751469499 652354414 /nfs/dbraw/zinc/35/44/14/652354414.db2.gz XRHQMMWBLXMHNY-UWVGGRQHSA-N 0 0 395.275 2.433 20 5 GEBDRN O=C(COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCO1 ZINC000751643970 652362190 /nfs/dbraw/zinc/36/21/90/652362190.db2.gz NRHSRIDGIWPYCP-NSHDSACASA-N 0 0 388.829 2.179 20 5 GEBDRN CCCNC(=O)NC(=O)COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000751644080 652362343 /nfs/dbraw/zinc/36/23/43/652362343.db2.gz PEDJYLMBMZQYBH-UHFFFAOYSA-N 0 0 389.817 2.119 20 5 GEBDRN O=C(OCCCN1CCOCC1)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000751693352 652363694 /nfs/dbraw/zinc/36/36/94/652363694.db2.gz YWNMDZJVHQUPQM-UHFFFAOYSA-N 0 0 391.193 2.376 20 5 GEBDRN O=C(OCc1nnnn1C1CC1)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000751691556 652363728 /nfs/dbraw/zinc/36/37/28/652363728.db2.gz UDGRPPMCEWBYRX-UHFFFAOYSA-N 0 0 386.137 2.175 20 5 GEBDRN CN([C@H](CO)Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000580217085 652371436 /nfs/dbraw/zinc/37/14/36/652371436.db2.gz ROQLAXFYQJJVFV-ZDUSSCGKSA-N 0 0 384.841 2.472 20 5 GEBDRN CN([C@@H](CO)Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000580217084 652371563 /nfs/dbraw/zinc/37/15/63/652371563.db2.gz ROQLAXFYQJJVFV-CYBMUJFWSA-N 0 0 384.841 2.472 20 5 GEBDRN Cc1ccsc1[C@@H](CO)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752133533 652379503 /nfs/dbraw/zinc/37/95/03/652379503.db2.gz DOIQDCZGPBDFOG-LLVKDONJSA-N 0 0 383.813 2.406 20 5 GEBDRN COc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)cc1SC ZINC000752213232 652381416 /nfs/dbraw/zinc/38/14/16/652381416.db2.gz JWTFONYTHAFORZ-ZJUUUORDSA-N 0 0 389.451 2.448 20 5 GEBDRN Cc1cc(Cl)c(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000752232711 652381971 /nfs/dbraw/zinc/38/19/71/652381971.db2.gz FVVMDYDIXOQBKD-LBPRGKRZSA-N 0 0 392.861 2.421 20 5 GEBDRN CC(=O)NC1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000752248095 652382391 /nfs/dbraw/zinc/38/23/91/652382391.db2.gz OUPLWPRXCNLTPI-UHFFFAOYSA-N 0 0 389.861 2.282 20 5 GEBDRN Cc1cc(Cl)c(S(=O)(=O)Oc2cccc(CC(N)=O)c2)cc1[N+](=O)[O-] ZINC000752250627 652382401 /nfs/dbraw/zinc/38/24/01/652382401.db2.gz RYFKIGNPDGCPOK-UHFFFAOYSA-N 0 0 384.797 2.352 20 5 GEBDRN CC1(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])OCCCO1 ZINC000752981679 652397336 /nfs/dbraw/zinc/39/73/36/652397336.db2.gz SWQZRAKHQGQPNZ-UHFFFAOYSA-N 0 0 384.332 2.453 20 5 GEBDRN CC(C)([C@H](OC(=O)CS(C)(=O)=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000753471933 652408982 /nfs/dbraw/zinc/40/89/82/652408982.db2.gz LMNHZDMYZHIOOS-GFCCVEGCSA-N 0 0 394.243 2.133 20 5 GEBDRN CC(C)([C@@H](OC(=O)CS(C)(=O)=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000753471935 652409086 /nfs/dbraw/zinc/40/90/86/652409086.db2.gz LMNHZDMYZHIOOS-LBPRGKRZSA-N 0 0 394.243 2.133 20 5 GEBDRN NS(=O)(=O)c1cccc(NC[C@H](CO)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000581718331 652423160 /nfs/dbraw/zinc/42/31/60/652423160.db2.gz HWUVEGWXJXRFOW-SNVBAGLBSA-N 0 0 385.829 2.084 20 5 GEBDRN Cc1c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cccc1S(N)(=O)=O ZINC000754071745 652426392 /nfs/dbraw/zinc/42/63/92/652426392.db2.gz VIIQKWWSSKEDLY-UHFFFAOYSA-N 0 0 383.813 2.134 20 5 GEBDRN C[C@@H](CCCCO)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000582163541 652437998 /nfs/dbraw/zinc/43/79/98/652437998.db2.gz APGAGNATLYKVNV-VIFPVBQESA-N 0 0 392.193 2.480 20 5 GEBDRN COC(=O)c1cc(S(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(C)o1 ZINC000754811049 652447912 /nfs/dbraw/zinc/44/79/12/652447912.db2.gz VPRXHYRKMDMUDR-UHFFFAOYSA-N 0 0 388.785 2.415 20 5 GEBDRN CCCCNC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000754985673 652454220 /nfs/dbraw/zinc/45/42/20/652454220.db2.gz HQXZMVKOMMKLCH-UHFFFAOYSA-N 0 0 375.740 2.170 20 5 GEBDRN CCOc1cc(COC(=O)c2ccc(S(N)(=O)=O)s2)ccc1[N+](=O)[O-] ZINC000755531737 652468303 /nfs/dbraw/zinc/46/83/03/652468303.db2.gz WFGWTPAGWMXYOR-UHFFFAOYSA-N 0 0 386.407 2.059 20 5 GEBDRN CNc1nccc(C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)c1[N+](=O)[O-] ZINC000582973797 652469176 /nfs/dbraw/zinc/46/91/76/652469176.db2.gz JPJQPVQWPFDFEC-VIFPVBQESA-N 0 0 375.332 2.830 20 5 GEBDRN C[C@H](Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1ccc([S@@](C)=O)cc1 ZINC000583401358 652483460 /nfs/dbraw/zinc/48/34/60/652483460.db2.gz LSQGUSUTJKDCBF-CCGUKBGLSA-N 0 0 383.451 2.153 20 5 GEBDRN O=C(NC[C@H]1CSCCS1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000756061266 652486566 /nfs/dbraw/zinc/48/65/66/652486566.db2.gz LYHVFDPIVLRDKA-ZDUSSCGKSA-N 0 0 382.511 2.275 20 5 GEBDRN CC[C@H](C)COC(=O)CNS(=O)(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000756357921 652497162 /nfs/dbraw/zinc/49/71/62/652497162.db2.gz IQOGYFGLPIFMJM-JTQLQIEISA-N 0 0 376.456 2.184 20 5 GEBDRN CC(C)N1CC[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1=O ZINC000756526669 652500039 /nfs/dbraw/zinc/50/00/39/652500039.db2.gz LGCKWKQKWRBYAE-CYBMUJFWSA-N 0 0 385.214 2.452 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)CC(F)(F)F ZINC000756975096 652511041 /nfs/dbraw/zinc/51/10/41/652511041.db2.gz OMGQPLBNRGREOE-ZETCQYMHSA-N 0 0 376.740 2.148 20 5 GEBDRN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000756976139 652511055 /nfs/dbraw/zinc/51/10/55/652511055.db2.gz STFWXAWJLLUJCL-SSDOTTSWSA-N 0 0 376.740 2.148 20 5 GEBDRN COC(=O)C(C)(C)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000756978745 652511367 /nfs/dbraw/zinc/51/13/67/652511367.db2.gz BVRMBWKHGIXLQQ-UHFFFAOYSA-N 0 0 384.332 2.499 20 5 GEBDRN Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1S(N)(=O)=O ZINC000756996945 652511534 /nfs/dbraw/zinc/51/15/34/652511534.db2.gz MVDKRULKYONDRQ-UHFFFAOYSA-N 0 0 383.813 2.134 20 5 GEBDRN Cc1c(C(=O)Nc2c(O)cccc2Cl)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000584201253 652513004 /nfs/dbraw/zinc/51/30/04/652513004.db2.gz LKXNNMHJPLMPLS-UHFFFAOYSA-N 0 0 385.785 2.162 20 5 GEBDRN O=C(N[C@@H](CCO)C1CC1)c1cc([N+](=O)[O-])ccc1I ZINC000757085830 652513142 /nfs/dbraw/zinc/51/31/42/652513142.db2.gz SMOGIDGHNJBMGB-LBPRGKRZSA-N 0 0 390.177 2.090 20 5 GEBDRN O=C1OCc2c1cccc2S(=O)(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757348332 652515765 /nfs/dbraw/zinc/51/57/65/652515765.db2.gz JRQHPBUXTRCREF-UHFFFAOYSA-N 0 0 382.781 2.397 20 5 GEBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)n1 ZINC000757607677 652519018 /nfs/dbraw/zinc/51/90/18/652519018.db2.gz ZAXKWDWWBRUJLV-UHFFFAOYSA-N 0 0 384.801 2.239 20 5 GEBDRN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)NCc1cccnc1 ZINC000757724949 652521243 /nfs/dbraw/zinc/52/12/43/652521243.db2.gz SOHTXPMWCGDEAB-UHFFFAOYSA-N 0 0 390.190 2.370 20 5 GEBDRN CN(c1cnn(C)c1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757746054 652521873 /nfs/dbraw/zinc/52/18/73/652521873.db2.gz YOMXYBFEAOGFLQ-UHFFFAOYSA-N 0 0 393.194 2.055 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCOC[C@@H]1CCOC1 ZINC000585699148 652533789 /nfs/dbraw/zinc/53/37/89/652533789.db2.gz LCOMXPQWUAWOCP-LLVKDONJSA-N 0 0 387.230 2.449 20 5 GEBDRN COC(=O)[C@]1(C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000758213967 652534005 /nfs/dbraw/zinc/53/40/05/652534005.db2.gz NEADHZZFPCDDBY-AWEZNQCLSA-N 0 0 376.818 2.273 20 5 GEBDRN CSc1ccc(C(=O)OCc2nnnn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000758341862 652537992 /nfs/dbraw/zinc/53/79/92/652537992.db2.gz LRAUXGNIBXTBHX-UHFFFAOYSA-N 0 0 377.304 2.223 20 5 GEBDRN C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000585808173 652538472 /nfs/dbraw/zinc/53/84/72/652538472.db2.gz SAIVQTLQEGJJRR-NOZJJQNGSA-N 0 0 387.234 2.198 20 5 GEBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000588144908 652549498 /nfs/dbraw/zinc/54/94/98/652549498.db2.gz YXCYFXUHNCIRLI-CQSZACIVSA-N 0 0 384.841 2.444 20 5 GEBDRN CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000759093713 652562276 /nfs/dbraw/zinc/56/22/76/652562276.db2.gz JBRIAARTFLURLK-DGCLKSJQSA-N 0 0 378.834 2.029 20 5 GEBDRN C[C@H]1Cc2cc(S(=O)(=O)NN=c3[nH]cccc3[N+](=O)[O-])cc(Cl)c2O1 ZINC000759167984 652565544 /nfs/dbraw/zinc/56/55/44/652565544.db2.gz IEJCUNBRLMUOOI-QMMMGPOBSA-N 0 0 384.801 2.272 20 5 GEBDRN COc1cc(Br)c(N)c(C(=O)OCCn2ccc([N+](=O)[O-])n2)c1 ZINC000759304920 652568297 /nfs/dbraw/zinc/56/82/97/652568297.db2.gz KOLQDAUEPNUGAG-UHFFFAOYSA-N 0 0 385.174 2.002 20 5 GEBDRN CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)O ZINC000590169948 652575834 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C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736754739 600432062 /nfs/dbraw/zinc/43/20/62/600432062.db2.gz FTYVCSFKORMQBF-MCIONIFRSA-N 0 0 392.456 2.188 20 5 GEBDRN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCOCC2)cc1-c1nn[nH]n1 ZINC000826498870 607451319 /nfs/dbraw/zinc/45/13/19/607451319.db2.gz MRCWKZWDFHEAKV-UHFFFAOYSA-N 0 0 395.423 2.219 20 5 GEBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CCCN1c1ccccc1 ZINC000826478203 607452479 /nfs/dbraw/zinc/45/24/79/607452479.db2.gz WRDHKRYFHWEZPA-OAHLLOKOSA-N 0 0 379.380 2.382 20 5 GEBDRN CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000737168687 600611197 /nfs/dbraw/zinc/61/11/97/600611197.db2.gz VSOMFHMVLFHZSF-CXAGYDPISA-N 0 0 393.440 2.160 20 5 GEBDRN C[C@]([NH2+]CCn1cc([N+](=O)[O-])cn1)(C(=O)[O-])c1cccc(Br)c1 ZINC000827735266 601114578 /nfs/dbraw/zinc/11/45/78/601114578.db2.gz SHOFGWRJLUNYHX-CQSZACIVSA-N 0 0 383.202 2.143 20 5 GEBDRN 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NS(=O)(=O)c1cc(Br)cnc1NCc1cccc([N+](=O)[O-])c1 ZINC000543729123 650921716 /nfs/dbraw/zinc/92/17/16/650921716.db2.gz DNULMWNGLNQZDO-UHFFFAOYSA-N 0 0 387.215 2.012 20 5 GEBDRN O=C(NCC1(O)CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000179049529 644450887 /nfs/dbraw/zinc/45/08/87/644450887.db2.gz DYCQEMATXQDEMT-UHFFFAOYSA-N 0 0 393.621 2.282 20 5 GEBDRN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1[N+](=O)[O-] ZINC000180067364 644486863 /nfs/dbraw/zinc/48/68/63/644486863.db2.gz FAGSXSGCSFJUGT-UHFFFAOYSA-N 0 0 377.300 2.411 20 5 GEBDRN Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000544080835 650932793 /nfs/dbraw/zinc/93/27/93/650932793.db2.gz KMAXKWQDRTZWOX-UHFFFAOYSA-N 0 0 394.225 2.452 20 5 GEBDRN CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000544664916 650949121 /nfs/dbraw/zinc/94/91/21/650949121.db2.gz DCGQSAAANFZXQD-GFCCVEGCSA-N 0 0 392.499 2.045 20 5 GEBDRN COC(=O)[C@]1(C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000187639274 645095953 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/nfs/dbraw/zinc/65/78/72/646657872.db2.gz DCVIXLSKEKKNQN-UHFFFAOYSA-N 0 0 396.206 2.189 20 5 GEBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc(Br)cn1 ZINC000280169554 646658472 /nfs/dbraw/zinc/65/84/72/646658472.db2.gz VBUBDAARRMHWKQ-UHFFFAOYSA-N 0 0 382.218 2.346 20 5 GEBDRN CCCc1n[nH]c(C(=O)NCc2ccc(S(=O)(=O)CC)s2)c1[N+](=O)[O-] ZINC000280169477 646658722 /nfs/dbraw/zinc/65/87/22/646658722.db2.gz VBQODYHQDGBKHZ-UHFFFAOYSA-N 0 0 386.455 2.056 20 5 GEBDRN CC(C)(CCS(C)(=O)=O)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280389214 646677229 /nfs/dbraw/zinc/67/72/29/646677229.db2.gz GBTOOKVCBWGMGT-UHFFFAOYSA-N 0 0 380.825 2.259 20 5 GEBDRN C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000280602796 646697337 /nfs/dbraw/zinc/69/73/37/646697337.db2.gz XUYWVOJVBLZQAD-CYBMUJFWSA-N 0 0 393.259 2.283 20 5 GEBDRN C[C@@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280671993 646704542 /nfs/dbraw/zinc/70/45/42/646704542.db2.gz VTHKDAXAMAJTCV-OQPBUACISA-N 0 0 391.243 2.439 20 5 GEBDRN CC(=O)N1CCC[C@@H](CNC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000280880667 646728320 /nfs/dbraw/zinc/72/83/20/646728320.db2.gz XHUGNOKFIKBTHD-VIFPVBQESA-N 0 0 390.259 2.407 20 5 GEBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCN(c2nccs2)CC1 ZINC000280912225 646731840 /nfs/dbraw/zinc/73/18/40/646731840.db2.gz ACUFXDVMBPVUMT-UHFFFAOYSA-N 0 0 382.467 2.307 20 5 GEBDRN O=[N+]([O-])c1cc(I)ccc1NC[C@@H](CO)[C@H]1CCOC1 ZINC000281028851 646739058 /nfs/dbraw/zinc/73/90/58/646739058.db2.gz QGCVSEGGTKRYTM-UWVGGRQHSA-N 0 0 392.193 2.256 20 5 GEBDRN CS(=O)(=O)C1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000281046791 646741620 /nfs/dbraw/zinc/74/16/20/646741620.db2.gz ZXBPFEYVVVEMHA-UHFFFAOYSA-N 0 0 375.834 2.015 20 5 GEBDRN Cc1nn(C)c(N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)c1N ZINC000281261445 646756950 /nfs/dbraw/zinc/75/69/50/646756950.db2.gz QVFRTTISRRNSJD-UHFFFAOYSA-N 0 0 395.261 2.308 20 5 GEBDRN O=C(CN1CCC=C(Br)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000281730916 646793170 /nfs/dbraw/zinc/79/31/70/646793170.db2.gz WDSYRFXSAFIIDO-UHFFFAOYSA-N 0 0 384.186 2.247 20 5 GEBDRN COc1cc(S(=O)(=O)N2CCC=C(Br)C2)ccc1[N+](=O)[O-] ZINC000282097825 646813949 /nfs/dbraw/zinc/81/39/49/646813949.db2.gz CFHVTJSPXPPEFD-UHFFFAOYSA-N 0 0 377.216 2.277 20 5 GEBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCOC[C@]12CCOC2 ZINC000282171241 646817944 /nfs/dbraw/zinc/81/79/44/646817944.db2.gz MCRDITSLUDPKRZ-CQSZACIVSA-N 0 0 389.177 2.128 20 5 GEBDRN COC[C@@H](C)S(=O)(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284116402 646834672 /nfs/dbraw/zinc/83/46/72/646834672.db2.gz CBZZYHNMQUTWMP-SECBINFHSA-N 0 0 393.259 2.080 20 5 GEBDRN COCCOCCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284376072 646839924 /nfs/dbraw/zinc/83/99/24/646839924.db2.gz FSSLXKPXWILDTK-UHFFFAOYSA-N 0 0 387.230 2.295 20 5 GEBDRN COC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)O1 ZINC000284939063 646846204 /nfs/dbraw/zinc/84/62/04/646846204.db2.gz JIEYOXAOXQPNKD-LLVKDONJSA-N 0 0 378.834 2.063 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1nncn1C)C(C)C ZINC000285390413 646855593 /nfs/dbraw/zinc/85/55/93/646855593.db2.gz SQLVLVUTDCQWLZ-ZDUSSCGKSA-N 0 0 387.849 2.361 20 5 GEBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000285393888 646855893 /nfs/dbraw/zinc/85/58/93/646855893.db2.gz SQBNZMUHACNGJI-MNOVXSKESA-N 0 0 382.360 2.085 20 5 GEBDRN C[C@]12CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@H]1C2(Cl)Cl ZINC000286540863 646872804 /nfs/dbraw/zinc/87/28/04/646872804.db2.gz SYGOTEHEURPIER-NEPJUHHUSA-N 0 0 380.253 2.262 20 5 GEBDRN COCCC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000288337358 646913162 /nfs/dbraw/zinc/91/31/62/646913162.db2.gz GXQZCPHRCFGENE-UHFFFAOYSA-N 0 0 393.259 2.404 20 5 GEBDRN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289306265 646930929 /nfs/dbraw/zinc/93/09/29/646930929.db2.gz ACFVUWVABFSCKO-SNVBAGLBSA-N 0 0 390.849 2.136 20 5 GEBDRN Cn1cc(S(=O)(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(C(F)(F)F)n1 ZINC000295970012 647240215 /nfs/dbraw/zinc/24/02/15/647240215.db2.gz NIGRBZLRZGCYSF-UHFFFAOYSA-N 0 0 376.316 2.099 20 5 GEBDRN C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[S@](=O)C1 ZINC000297763495 647262650 /nfs/dbraw/zinc/26/26/50/647262650.db2.gz LUFMJMRRNKRTRJ-IJRMKIOGSA-N 0 0 377.369 2.429 20 5 GEBDRN Cc1ccc(S(=O)(=O)NC2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000330406963 647336445 /nfs/dbraw/zinc/33/64/45/647336445.db2.gz GHQCRCQODHXEPS-UHFFFAOYSA-N 0 0 381.376 2.208 20 5 GEBDRN CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000330454148 647338216 /nfs/dbraw/zinc/33/82/16/647338216.db2.gz MGKLBTAYRPNRRP-NSHDSACASA-N 0 0 384.230 2.298 20 5 GEBDRN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000332213079 647423226 /nfs/dbraw/zinc/42/32/26/647423226.db2.gz HITOQEGVTSCJNP-VIFPVBQESA-N 0 0 380.344 2.120 20 5 GEBDRN Cn1cnc([N+](=O)[O-])c1CN1CCN(c2cccc(Br)c2)CC1 ZINC000332422156 647437363 /nfs/dbraw/zinc/43/73/63/647437363.db2.gz ROFOCBAEFSFNHI-UHFFFAOYSA-N 0 0 380.246 2.413 20 5 GEBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cncc(I)c2)n1 ZINC000350885485 647543512 /nfs/dbraw/zinc/54/35/12/647543512.db2.gz BOCPRIFYVUOVDL-UHFFFAOYSA-N 0 0 398.120 2.045 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC3(CCOC3=O)CC2)c1 ZINC000360447913 647557385 /nfs/dbraw/zinc/55/73/85/647557385.db2.gz MOZCZGOIOQTVJP-UHFFFAOYSA-N 0 0 388.829 2.274 20 5 GEBDRN C[C@@H]1COCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000363112961 647584937 /nfs/dbraw/zinc/58/49/37/647584937.db2.gz VOAMCVRUTOCHGD-VIFPVBQESA-N 0 0 379.232 2.014 20 5 GEBDRN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1=O ZINC000363268472 647590236 /nfs/dbraw/zinc/59/02/36/647590236.db2.gz PFHWDHZRAMWKNE-ZDMBXUJBSA-N 0 0 382.214 2.096 20 5 GEBDRN O=C(N[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000363722353 647607300 /nfs/dbraw/zinc/60/73/00/647607300.db2.gz MZCWTBFODXXUFS-ZDUSSCGKSA-N 0 0 396.241 2.488 20 5 GEBDRN CN(C)c1cc2c(nn1)CCN(c1ncc(Br)cc1[N+](=O)[O-])C2 ZINC000364404200 647625762 /nfs/dbraw/zinc/62/57/62/647625762.db2.gz OKVYSIGTUFSAPD-UHFFFAOYSA-N 0 0 379.218 2.171 20 5 GEBDRN Cc1ncccc1O[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000365067878 647656481 /nfs/dbraw/zinc/65/64/81/647656481.db2.gz AAITYWRTBNBBHE-NSHDSACASA-N 0 0 383.451 2.421 20 5 GEBDRN Cc1nc(CO[C@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cs1 ZINC000366825946 647706678 /nfs/dbraw/zinc/70/66/78/647706678.db2.gz VRZVUJOFXYKBQF-ZDUSSCGKSA-N 0 0 383.451 2.340 20 5 GEBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367402363 647732316 /nfs/dbraw/zinc/73/23/16/647732316.db2.gz RHNZAYZYRUGBEQ-KBPBESRZSA-N 0 0 385.214 2.377 20 5 GEBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000370295795 647783573 /nfs/dbraw/zinc/78/35/73/647783573.db2.gz ABZZJPAGXSUZDH-JTQLQIEISA-N 0 0 385.833 2.243 20 5 GEBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCc2cc(Br)sc2C1 ZINC000371266732 647789234 /nfs/dbraw/zinc/78/92/34/647789234.db2.gz PUFCYHPQOSKATM-UHFFFAOYSA-N 0 0 398.238 2.165 20 5 GEBDRN O=C(NC[C@H]1CN2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000371287794 647790312 /nfs/dbraw/zinc/79/03/12/647790312.db2.gz SXDUUSIMBFFIDW-STQMWFEESA-N 0 0 398.257 2.340 20 5 GEBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000373670848 647815222 /nfs/dbraw/zinc/81/52/22/647815222.db2.gz ILMNOUIZTSNZFU-IAQYHMDHSA-N 0 0 390.845 2.207 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1Cn1ccnn1 ZINC000374751120 647826995 /nfs/dbraw/zinc/82/69/95/647826995.db2.gz GWTIAXHZQXFMAE-GFCCVEGCSA-N 0 0 385.833 2.083 20 5 GEBDRN NC(=O)[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375231096 647830234 /nfs/dbraw/zinc/83/02/34/647830234.db2.gz VTBWABHOQKEIHK-HTQZYQBOSA-N 0 0 380.710 2.376 20 5 GEBDRN Cc1nc2n(n1)C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000375560454 647831347 /nfs/dbraw/zinc/83/13/47/647831347.db2.gz JJQSRMDHJBPIFU-SNVBAGLBSA-N 0 0 395.217 2.394 20 5 GEBDRN Cc1c(Br)cc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)cc1[N+](=O)[O-] ZINC000375570292 647831970 /nfs/dbraw/zinc/83/19/70/647831970.db2.gz YEOUOZPEJRIJNE-OAHLLOKOSA-N 0 0 398.213 2.380 20 5 GEBDRN O=C1OCCC12CCN(S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC2 ZINC000377855572 647869532 /nfs/dbraw/zinc/86/95/32/647869532.db2.gz KXICXTFXKIVSOA-UHFFFAOYSA-N 0 0 392.792 2.105 20 5 GEBDRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCCS(=O)(=O)CC1 ZINC000378026719 647876424 /nfs/dbraw/zinc/87/64/24/647876424.db2.gz AOVPVPGWRQFIIV-UHFFFAOYSA-N 0 0 383.304 2.147 20 5 GEBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC(n2ccnn2)C1 ZINC000378539730 647883580 /nfs/dbraw/zinc/88/35/80/647883580.db2.gz CVAOXNNEXCCQOD-UHFFFAOYSA-N 0 0 386.593 2.299 20 5 GEBDRN CS(=O)(=O)[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000409651262 647975833 /nfs/dbraw/zinc/97/58/33/647975833.db2.gz IBWALGHWXYYFRI-SNVBAGLBSA-N 0 0 378.248 2.156 20 5 GEBDRN O=[N+]([O-])c1cnc(NCc2ccccc2CS(=O)(=O)N2CCCC2)s1 ZINC000409716314 647981129 /nfs/dbraw/zinc/98/11/29/647981129.db2.gz LAGXUMNSYPFULI-UHFFFAOYSA-N 0 0 382.467 2.589 20 5 GEBDRN O=C(CCn1cc(I)cn1)Nc1ccccc1[N+](=O)[O-] ZINC000410034324 647991635 /nfs/dbraw/zinc/99/16/35/647991635.db2.gz OXRCTMPEKWUWEK-UHFFFAOYSA-N 0 0 386.149 2.425 20 5 GEBDRN CC[C@](COC)(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000411090733 648022363 /nfs/dbraw/zinc/02/23/63/648022363.db2.gz FXUGYPFCRYQVAJ-CQSZACIVSA-N 0 0 389.202 2.055 20 5 GEBDRN C[C@@H]1C[C@H](O)CN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000412026040 648041258 /nfs/dbraw/zinc/04/12/58/648041258.db2.gz IGHBRKHUGGMOKM-RNCFNFMXSA-N 0 0 376.194 2.402 20 5 GEBDRN O=[N+]([O-])c1cnc(N2CCC(NS(=O)(=O)c3cccs3)CC2)c(F)c1 ZINC000413036390 648057864 /nfs/dbraw/zinc/05/78/64/648057864.db2.gz PKOYWTSXOSHKAL-UHFFFAOYSA-N 0 0 386.430 2.138 20 5 GEBDRN CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413191285 648063159 /nfs/dbraw/zinc/06/31/59/648063159.db2.gz YFTHJYIVNCBNRQ-KWQFWETISA-N 0 0 382.364 2.138 20 5 GEBDRN CSc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000413901392 648083147 /nfs/dbraw/zinc/08/31/47/648083147.db2.gz KNSHNYJLXVATMD-AWEZNQCLSA-N 0 0 384.479 2.356 20 5 GEBDRN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000416410471 648116224 /nfs/dbraw/zinc/11/62/24/648116224.db2.gz XGWWUYIXOYRZTR-QMMMGPOBSA-N 0 0 378.332 2.387 20 5 GEBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1CCCC[C@H]1O ZINC000416453926 648129688 /nfs/dbraw/zinc/12/96/88/648129688.db2.gz DFSMAFRFBRMYIT-JOYOIKCWSA-N 0 0 382.360 2.443 20 5 GEBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCC[C@@H]1CCO ZINC000416476148 648139537 /nfs/dbraw/zinc/13/95/37/648139537.db2.gz XAHGBOXBRMZERN-KOLCDFICSA-N 0 0 382.360 2.443 20 5 GEBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1CC(F)(F)C1 ZINC000416502982 648151741 /nfs/dbraw/zinc/15/17/41/648151741.db2.gz SUXFEAHFJAVVQQ-UHFFFAOYSA-N 0 0 378.353 2.095 20 5 GEBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000416558767 648171661 /nfs/dbraw/zinc/17/16/61/648171661.db2.gz MQCMQNAYCOJFFS-IUCAKERBSA-N 0 0 379.257 2.236 20 5 GEBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCO[C@@H](CF)C2)c1 ZINC000416569552 648174443 /nfs/dbraw/zinc/17/44/43/648174443.db2.gz JIFJZAPMPLEFCU-NSHDSACASA-N 0 0 397.222 2.106 20 5 GEBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000416602459 648183622 /nfs/dbraw/zinc/18/36/22/648183622.db2.gz JYDCZAKBNQZHTB-OPRDCNLKSA-N 0 0 393.259 2.449 20 5 GEBDRN C[C@@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000416602460 648183712 /nfs/dbraw/zinc/18/37/12/648183712.db2.gz JYDCZAKBNQZHTB-UTLUCORTSA-N 0 0 393.259 2.449 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC(CO)(c2ccccc2)C1 ZINC000416617250 648189736 /nfs/dbraw/zinc/18/97/36/648189736.db2.gz QWESGRFQJMBQFM-UHFFFAOYSA-N 0 0 382.825 2.183 20 5 GEBDRN Cc1c(NC(=O)N2CCO[C@H]([C@@H](C)O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000417073242 648223536 /nfs/dbraw/zinc/22/35/36/648223536.db2.gz 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CCCN1C[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000421610141 648499270 /nfs/dbraw/zinc/49/92/70/648499270.db2.gz XZDSKJGUNCZGPJ-SNVBAGLBSA-N 0 0 384.230 2.346 20 5 GEBDRN CNS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000421742123 648506844 /nfs/dbraw/zinc/50/68/44/648506844.db2.gz QWNFGGXBRXLHCH-UHFFFAOYSA-N 0 0 383.451 2.111 20 5 GEBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000424962499 648658430 /nfs/dbraw/zinc/65/84/30/648658430.db2.gz WVPDHOAZRYWOTP-JTQLQIEISA-N 0 0 384.230 2.264 20 5 GEBDRN COC(=O)c1cnc([C@@H](C)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000425187602 648670047 /nfs/dbraw/zinc/67/00/47/648670047.db2.gz FVJYCIMHKRLXTQ-SECBINFHSA-N 0 0 385.423 2.019 20 5 GEBDRN Cn1cc(N2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)cn1 ZINC000425424170 648675847 /nfs/dbraw/zinc/67/58/47/648675847.db2.gz OWVFKZWWEBABRD-UHFFFAOYSA-N 0 0 380.246 2.413 20 5 GEBDRN Cn1[nH]c([C@@H]2CCCN2Cc2ccc(Br)cc2[N+](=O)[O-])nc1=N ZINC000425442892 648677409 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CCN(CC)S(=O)(=O)c1ccc(CNc2ncc([N+](=O)[O-])s2)s1 ZINC000443436427 648876411 /nfs/dbraw/zinc/87/64/11/648876411.db2.gz MNAPPJRJJHJCHJ-UHFFFAOYSA-N 0 0 376.485 2.755 20 5 GEBDRN Cc1c([C@H]2OCC[C@@H]2Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cnn1C ZINC000548334434 651077291 /nfs/dbraw/zinc/07/72/91/651077291.db2.gz MBPLVOUDGNQLLM-GXFFZTMASA-N 0 0 386.455 2.044 20 5 GEBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000548603528 651081603 /nfs/dbraw/zinc/08/16/03/651081603.db2.gz TVJKCGVKTHHVJY-CYBMUJFWSA-N 0 0 391.243 2.157 20 5 GEBDRN Nc1nccc(C(=O)Nc2ccc(I)cc2)c1[N+](=O)[O-] ZINC000548713373 651083322 /nfs/dbraw/zinc/08/33/22/651083322.db2.gz CHTAFMSEJAVDMZ-UHFFFAOYSA-N 0 0 384.133 2.429 20 5 GEBDRN CNS(=O)(=O)[C@H]1CCCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000549487361 651097584 /nfs/dbraw/zinc/09/75/84/651097584.db2.gz TWIQFGXVLWGBSS-JTQLQIEISA-N 0 0 381.376 2.440 20 5 GEBDRN CS(=O)(=O)NCCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000549674870 651098797 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COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000552130258 651141313 /nfs/dbraw/zinc/14/13/13/651141313.db2.gz DMISGLYPTJYXGL-GFCCVEGCSA-N 0 0 397.185 2.067 20 5 GEBDRN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc2cc(Br)cnc21 ZINC000553155518 651166362 /nfs/dbraw/zinc/16/63/62/651166362.db2.gz NHZNELLRUBEBTP-UHFFFAOYSA-N 0 0 377.158 2.136 20 5 GEBDRN Cc1cnc(NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000553608041 651183227 /nfs/dbraw/zinc/18/32/27/651183227.db2.gz SRDMVZILZWNTOC-GFCCVEGCSA-N 0 0 382.467 2.482 20 5 GEBDRN CCS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000553701153 651185705 /nfs/dbraw/zinc/18/57/05/651185705.db2.gz RDSVMOFOBSGMAJ-SNVBAGLBSA-N 0 0 381.376 2.474 20 5 GEBDRN Cc1c(CNC(=O)NCCn2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000553773911 651187783 /nfs/dbraw/zinc/18/77/83/651187783.db2.gz HMXWYEXOFUDGEK-UHFFFAOYSA-N 0 0 382.218 2.362 20 5 GEBDRN C[C@@H]1SCCN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000554671404 651209687 /nfs/dbraw/zinc/20/96/87/651209687.db2.gz RQEZECKYLLNNHK-QWRGUYRKSA-N 0 0 385.873 2.259 20 5 GEBDRN CCN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000555248012 651221021 /nfs/dbraw/zinc/22/10/21/651221021.db2.gz LZIHBMXAMKKKNX-LLVKDONJSA-N 0 0 390.177 2.450 20 5 GEBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cn([C@H]2CCOC2)nn1 ZINC000556468576 651245125 /nfs/dbraw/zinc/24/51/25/651245125.db2.gz SFGBEHSFKXQZER-JTQLQIEISA-N 0 0 382.174 2.163 20 5 GEBDRN Cc1cc(I)cc(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000557135197 651264014 /nfs/dbraw/zinc/26/40/14/651264014.db2.gz XBTVLJZDIMMHFX-UHFFFAOYSA-N 0 0 386.149 2.494 20 5 GEBDRN O=C(C[C@H]1CCCS(=O)(=O)C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000560000018 651303004 /nfs/dbraw/zinc/30/30/04/651303004.db2.gz HGOAKHISIZVCBQ-WBMJQRKESA-N 0 0 384.479 2.384 20 5 GEBDRN Cc1cc(S(=O)(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)cc1[N+](=O)[O-] ZINC000561093510 651474227 /nfs/dbraw/zinc/47/42/27/651474227.db2.gz GREYJVALQWZYNP-LLVKDONJSA-N 0 0 381.376 2.127 20 5 GEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCc1ccc2c(c1)OCO2 ZINC000725819546 651479910 /nfs/dbraw/zinc/47/99/10/651479910.db2.gz XDZYQRGGRPFNTH-UHFFFAOYSA-N 0 0 384.797 2.498 20 5 GEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000726433693 651491589 /nfs/dbraw/zinc/49/15/89/651491589.db2.gz NNYUXUZAASHLJF-UHFFFAOYSA-N 0 0 380.451 2.037 20 5 GEBDRN C[C@H](CN1CCOCC1)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000603857603 651500177 /nfs/dbraw/zinc/50/01/77/651500177.db2.gz ZRXLNGGLNHLQRY-LLVKDONJSA-N 0 0 395.257 2.460 20 5 GEBDRN CC(=O)NCCc1ccc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000726794811 651503139 /nfs/dbraw/zinc/50/31/39/651503139.db2.gz APQGRNJQNBBRHM-UHFFFAOYSA-N 0 0 388.398 2.242 20 5 GEBDRN O=C(Nc1cc(Br)c[nH]c1=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604434580 651513795 /nfs/dbraw/zinc/51/37/95/651513795.db2.gz VXPBTJRXBXVIBZ-UHFFFAOYSA-N 0 0 382.126 2.439 20 5 GEBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000604531211 651516065 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COC(=O)c1nscc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000751043558 652322112 /nfs/dbraw/zinc/32/21/12/652322112.db2.gz HUHMRZNAJCJNDE-UHFFFAOYSA-N 0 0 378.771 2.259 20 5 GEBDRN COc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000751223478 652332674 /nfs/dbraw/zinc/33/26/74/652332674.db2.gz XCLKBCFEWPUZBM-ZDUSSCGKSA-N 0 0 386.813 2.269 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000751442031 652351205 /nfs/dbraw/zinc/35/12/05/652351205.db2.gz HMURITOUKHNUJQ-LBPRGKRZSA-N 0 0 393.259 2.105 20 5 GEBDRN CCC1(O)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000751453976 652352604 /nfs/dbraw/zinc/35/26/04/652352604.db2.gz BVQPMQUPHDPJTA-UHFFFAOYSA-N 0 0 393.259 2.283 20 5 GEBDRN C[C@@H]1CN(C(=O)COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000751643335 652362176 /nfs/dbraw/zinc/36/21/76/652362176.db2.gz IARWHBVLQJUAJU-SNVBAGLBSA-N 0 0 388.829 2.131 20 5 GEBDRN COC[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751980732 652374947 /nfs/dbraw/zinc/37/49/47/652374947.db2.gz FMMFVXPIASEHBZ-SNVBAGLBSA-N 0 0 379.232 2.157 20 5 GEBDRN COc1cccc(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000752163651 652379511 /nfs/dbraw/zinc/37/95/11/652379511.db2.gz AGLBKHFCOPUZNN-UHFFFAOYSA-N 0 0 385.785 2.113 20 5 GEBDRN Cc1cc(Cl)c(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000752232705 652382013 /nfs/dbraw/zinc/38/20/13/652382013.db2.gz FUSZFPQHAUDQRG-AWEZNQCLSA-N 0 0 383.813 2.062 20 5 GEBDRN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000752232706 652382036 /nfs/dbraw/zinc/38/20/36/652382036.db2.gz FUSZFPQHAUDQRG-CQSZACIVSA-N 0 0 383.813 2.062 20 5 GEBDRN Cc1c(Br)c(N2CCC(N3CCNC3=O)CC2)ncc1[N+](=O)[O-] ZINC000580739684 652390680 /nfs/dbraw/zinc/39/06/80/652390680.db2.gz UHFAMLURXUDBTK-UHFFFAOYSA-N 0 0 384.234 2.055 20 5 GEBDRN Cc1nsc2ncn(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(=O)c12 ZINC000752883551 652395382 /nfs/dbraw/zinc/39/53/82/652395382.db2.gz PCUFILJUADERMA-UHFFFAOYSA-N 0 0 379.785 2.362 20 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C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000755165586 652459264 /nfs/dbraw/zinc/45/92/64/652459264.db2.gz HHUCUWLHUUOQFP-VIFPVBQESA-N 0 0 393.849 2.440 20 5 GEBDRN Cc1ccc(OC(=O)CSc2nnnn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000755250513 652461410 /nfs/dbraw/zinc/46/14/10/652461410.db2.gz JHEHYSSCPQYGDJ-UHFFFAOYSA-N 0 0 377.304 2.150 20 5 GEBDRN CCS(=O)(=O)c1cccc(S(=O)(=O)Oc2cccc(C)c2[N+](=O)[O-])c1 ZINC000755285887 652462144 /nfs/dbraw/zinc/46/21/44/652462144.db2.gz QEAGMJRCOGIHAJ-UHFFFAOYSA-N 0 0 385.419 2.465 20 5 GEBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCc1cnc(C2CC2)nc1 ZINC000755978561 652483101 /nfs/dbraw/zinc/48/31/01/652483101.db2.gz RGMZOUDWOJZJCQ-UHFFFAOYSA-N 0 0 382.829 2.437 20 5 GEBDRN O=C(NC[C@H]1CSCCS1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756053287 652486355 /nfs/dbraw/zinc/48/63/55/652486355.db2.gz LKLOBTZNSUVOBS-HNNXBMFYSA-N 0 0 382.511 2.275 20 5 GEBDRN CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000756406851 652498144 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Cc1nnc2n1C[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000586836229 652542888 /nfs/dbraw/zinc/54/28/88/652542888.db2.gz CZLZRIIEPLSRLD-VIFPVBQESA-N 0 0 380.202 2.458 20 5 GEBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000588144249 652548947 /nfs/dbraw/zinc/54/89/47/652548947.db2.gz BJJCTIWBEYKRJE-AWEZNQCLSA-N 0 0 384.841 2.444 20 5 GEBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1O ZINC000588145690 652549436 /nfs/dbraw/zinc/54/94/36/652549436.db2.gz FCVZQTLTKGFVBL-ZYHUDNBSSA-N 0 0 393.259 2.329 20 5 GEBDRN COC(=O)[C@@H](CNc1ccncc1[N+](=O)[O-])Oc1ccc(Br)cc1 ZINC000588839279 652556363 /nfs/dbraw/zinc/55/63/63/652556363.db2.gz FFTGIXRNBPUCDX-CQSZACIVSA-N 0 0 396.197 2.207 20 5 GEBDRN CN(CCOc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000589102977 652559346 /nfs/dbraw/zinc/55/93/46/652559346.db2.gz GPKVDBNINLUGCO-UHFFFAOYSA-N 0 0 385.829 2.411 20 5 GEBDRN O=C(NC[C@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1Br ZINC000759109170 652563279 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Cc1nn(Cc2cc(I)cc([N+](=O)[O-])c2)c(=O)s1 ZINC000514759779 650578346 /nfs/dbraw/zinc/57/83/46/650578346.db2.gz HAAHLCVTPFMNMI-UHFFFAOYSA-N 0 0 377.163 2.174 20 5 GEBDRN NC(=O)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000478356489 650584421 /nfs/dbraw/zinc/58/44/21/650584421.db2.gz NKAWTGUJHLPEJS-NSHDSACASA-N 0 0 384.211 2.375 20 5 GEBDRN Cc1c(Br)cc(C(=O)N2CCc3nc(N)ncc3C2)cc1[N+](=O)[O-] ZINC000515365309 650592647 /nfs/dbraw/zinc/59/26/47/650592647.db2.gz WHTGYERQQMZNHH-UHFFFAOYSA-N 0 0 392.213 2.236 20 5 GEBDRN Cc1cc(N2CCCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000516494786 650597404 /nfs/dbraw/zinc/59/74/04/650597404.db2.gz UBBDFWCAYPRXBZ-UHFFFAOYSA-N 0 0 381.376 2.394 20 5 GEBDRN NC(=O)N1CCC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000516506551 650597669 /nfs/dbraw/zinc/59/76/69/650597669.db2.gz HHPBEPFPOXPECD-JTQLQIEISA-N 0 0 386.861 2.247 20 5 GEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000518372767 650604036 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Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)c1nncn1C ZINC000286807697 532770375 /nfs/dbraw/zinc/77/03/75/532770375.db2.gz PHPKRWYBAITUAF-MRVPVSSYSA-N 0 0 382.218 2.328 20 5 GEBDRN Cc1c(Br)cc(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000588779555 532770934 /nfs/dbraw/zinc/77/09/34/532770934.db2.gz PWGVXFDACIYMCZ-JTQLQIEISA-N 0 0 399.245 2.186 20 5 GEBDRN COCC1(CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000452043811 532771075 /nfs/dbraw/zinc/77/10/75/532771075.db2.gz HOVIISLRMKEEKX-UHFFFAOYSA-N 0 0 376.406 2.228 20 5 GEBDRN Cc1c(Br)cc(C(=O)NC[C@H]2CCCN(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000588779557 532771361 /nfs/dbraw/zinc/77/13/61/532771361.db2.gz PWGVXFDACIYMCZ-SNVBAGLBSA-N 0 0 399.245 2.186 20 5 GEBDRN CC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1)C(F)F ZINC000452253569 532772982 /nfs/dbraw/zinc/77/29/82/532772982.db2.gz XTQUONBAWDZVCU-RKDXNWHRSA-N 0 0 379.385 2.199 20 5 GEBDRN O=[N+]([O-])c1cc(I)ccc1NC[C@]1(O)CCSC1 ZINC000302728677 532774188 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Cc1cc(Br)cn2cc(CCNC(=O)c3[nH]ncc3[N+](=O)[O-])nc12 ZINC000546823891 532786009 /nfs/dbraw/zinc/78/60/09/532786009.db2.gz PZSKKILDERUYQN-UHFFFAOYSA-N 0 0 393.201 2.009 20 5 GEBDRN O=C(c1cc(Br)c[nH]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000321123935 532787503 /nfs/dbraw/zinc/78/75/03/532787503.db2.gz DIVWPCAKVDUHGR-UHFFFAOYSA-N 0 0 380.202 2.043 20 5 GEBDRN CC1(CC(F)(F)F)CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000457144410 532787946 /nfs/dbraw/zinc/78/79/46/532787946.db2.gz OTZHUHBQVXVQPZ-UHFFFAOYSA-N 0 0 380.344 2.413 20 5 GEBDRN Cc1c(Br)c(=O)n(CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000326232851 532790076 /nfs/dbraw/zinc/79/00/76/532790076.db2.gz VLQSCTGBYMIYTR-UHFFFAOYSA-N 0 0 395.165 2.439 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCO[C@H]1CCOC1 ZINC000269310545 532780387 /nfs/dbraw/zinc/78/03/87/532780387.db2.gz VJKZMLXBORSAIP-NSHDSACASA-N 0 0 378.834 2.031 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CO)C2CCCC2)c(C(F)(F)F)c1 ZINC000554964205 532806833 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COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000287614837 532802832 /nfs/dbraw/zinc/80/28/32/532802832.db2.gz ZRMVZFUETDMXGI-JTQLQIEISA-N 0 0 389.455 2.195 20 5 GEBDRN COc1ccc2c(c1)OC[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C2 ZINC000271224029 532804946 /nfs/dbraw/zinc/80/49/46/532804946.db2.gz DNNIPWKFMMKWTN-SNVBAGLBSA-N 0 0 384.435 2.484 20 5 GEBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@](O)(CO)C1 ZINC000413410298 532812393 /nfs/dbraw/zinc/81/23/93/532812393.db2.gz TYKXWCAAKIEIBU-HNNXBMFYSA-N 0 0 382.214 2.229 20 5 GEBDRN C[C@H](NC(=O)c1sccc1S(=O)(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000271796936 532812315 /nfs/dbraw/zinc/81/23/15/532812315.db2.gz LKZMTMBNOXFBCP-JTQLQIEISA-N 0 0 383.451 2.398 20 5 GEBDRN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272406254 532815096 /nfs/dbraw/zinc/81/50/96/532815096.db2.gz VRXOUQDADPWGPR-JJPWZELDSA-N 0 0 382.467 2.409 20 5 GEBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@](O)(C(F)(F)F)C1 ZINC000272394678 532815334 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GEBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000330638839 532823331 /nfs/dbraw/zinc/82/33/31/532823331.db2.gz AQBWHSOUIYMLKO-NSHDSACASA-N 0 0 379.232 2.205 20 5 GEBDRN CCCNc1nnc(Sc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])s1 ZINC000273482968 532824949 /nfs/dbraw/zinc/82/49/49/532824949.db2.gz MZBUHGOOGZUPRB-UHFFFAOYSA-N 0 0 375.457 2.067 20 5 GEBDRN CCn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000331089061 532832449 /nfs/dbraw/zinc/83/24/49/532832449.db2.gz GAJMXLNBPAYBKI-JTQLQIEISA-N 0 0 384.380 2.410 20 5 GEBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCSC1 ZINC000288613017 532832939 /nfs/dbraw/zinc/83/29/39/532832939.db2.gz VBFHGSBSINMOKN-NSHDSACASA-N 0 0 375.472 2.332 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)[C@@H]2CCCSC2)c(Cl)c1 ZINC000331345974 532838352 /nfs/dbraw/zinc/83/83/52/532838352.db2.gz VTYIRQDRRPITIH-LLVKDONJSA-N 0 0 380.875 2.127 20 5 GEBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000056952178 212131400 /nfs/dbraw/zinc/13/14/00/212131400.db2.gz KYVOUWZDTGHVAC-ZDUSSCGKSA-N 0 0 375.341 2.439 20 5 GEBDRN Cc1c(NC(=O)[C@H](C)N2CCCN(C(=O)c3ccc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000359940440 212126658 /nfs/dbraw/zinc/12/66/58/212126658.db2.gz GYOOPBVXBGFOBD-HNNXBMFYSA-N 0 0 399.451 2.406 20 5 GEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](N2CCCC2=O)C1 ZINC000331872119 532846163 /nfs/dbraw/zinc/84/61/63/532846163.db2.gz BKNFHEMGGHITDC-ZDUSSCGKSA-N 0 0 396.241 2.123 20 5 GEBDRN CN(CCn1cc(Br)cn1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000289195175 532849316 /nfs/dbraw/zinc/84/93/16/532849316.db2.gz KZDVQGIIEYIUFI-UHFFFAOYSA-N 0 0 397.229 2.481 20 5 GEBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332341343 532852268 /nfs/dbraw/zinc/85/22/68/532852268.db2.gz QYBUHHBRHRPRDE-SECBINFHSA-N 0 0 380.202 2.495 20 5 GEBDRN COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000274685000 532854257 /nfs/dbraw/zinc/85/42/57/532854257.db2.gz OQSLTTLUAVYOAR-UHFFFAOYSA-N 0 0 381.288 2.130 20 5 GEBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCSC3(CCOCC3)C2)cc1 ZINC000274700932 532854843 /nfs/dbraw/zinc/85/48/43/532854843.db2.gz YJHVWUDRNBXNLK-UHFFFAOYSA-N 0 0 386.495 2.065 20 5 GEBDRN CS(=O)(=O)CCCOc1ccc(I)cc1[N+](=O)[O-] ZINC000274749555 532855715 /nfs/dbraw/zinc/85/57/15/532855715.db2.gz PLMGLBLXSYHBIB-UHFFFAOYSA-N 0 0 385.179 2.013 20 5 GEBDRN Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000274798966 532856648 /nfs/dbraw/zinc/85/66/48/532856648.db2.gz PYJXCPMVGVPJQE-ABAIWWIYSA-N 0 0 390.458 2.375 20 5 GEBDRN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289538524 532858101 /nfs/dbraw/zinc/85/81/01/532858101.db2.gz DLBXTFKUKPJLFP-UWVGGRQHSA-N 0 0 390.849 2.088 20 5 GEBDRN C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)S1(=O)=O ZINC000289593105 532859985 /nfs/dbraw/zinc/85/99/85/532859985.db2.gz RAQYBCQJAFNUOM-UWVGGRQHSA-N 0 0 377.260 2.365 20 5 GEBDRN COc1c(F)cc(S(=O)(=O)NC[C@@H](CCO)CC(C)C)cc1[N+](=O)[O-] ZINC000275034110 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GEBDRN CO[C@H]([C@H](C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000451981984 650161197 /nfs/dbraw/zinc/16/11/97/650161197.db2.gz FMXHTPDIISZQOL-ISVAXAHUSA-N 0 0 393.259 2.449 20 5 GEBDRN CC1(C)COC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000451986963 650161648 /nfs/dbraw/zinc/16/16/48/650161648.db2.gz YDEOZRMEVBSQBZ-NSHDSACASA-N 0 0 379.232 2.061 20 5 GEBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451989015 650162174 /nfs/dbraw/zinc/16/21/74/650162174.db2.gz NXECVFPPQFDDFK-HQJQHLMTSA-N 0 0 388.751 2.182 20 5 GEBDRN CC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000453794689 650227181 /nfs/dbraw/zinc/22/71/81/650227181.db2.gz UFUFXENRZQHFOP-VIFPVBQESA-N 0 0 380.145 2.456 20 5 GEBDRN CCC[C@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)OC ZINC000453802905 650228198 /nfs/dbraw/zinc/22/81/98/650228198.db2.gz URPMGQOUWJCYKM-GFCCVEGCSA-N 0 0 388.218 2.227 20 5 GEBDRN Cn1cc(Br)c(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000455374047 650301030 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2.254 20 5 GEBDRN O=C1C[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CN1c1ccccc1 ZINC000500264069 650373943 /nfs/dbraw/zinc/37/39/43/650373943.db2.gz YJLLIRSSKFELLI-JTQLQIEISA-N 0 0 377.198 2.392 20 5 GEBDRN O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000457294352 650376336 /nfs/dbraw/zinc/37/63/36/650376336.db2.gz XAMSILKTMFRQGJ-YUMQZZPRSA-N 0 0 388.243 2.302 20 5 GEBDRN NC(=O)c1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000501078862 650387345 /nfs/dbraw/zinc/38/73/45/650387345.db2.gz YJERDAIYWCNUDG-UHFFFAOYSA-N 0 0 394.185 2.173 20 5 GEBDRN COC1(CO)CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501069477 650387120 /nfs/dbraw/zinc/38/71/20/650387120.db2.gz BLJOZGDSBAISKQ-UHFFFAOYSA-N 0 0 388.218 2.363 20 5 GEBDRN C[C@@]1(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000501093518 650387987 /nfs/dbraw/zinc/38/79/87/650387987.db2.gz KIZLLMCCTZEFRK-GFCCVEGCSA-N 0 0 392.231 2.056 20 5 GEBDRN COCC[C@@](C)(O)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501097348 650388100 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Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000504301972 650429705 /nfs/dbraw/zinc/42/97/05/650429705.db2.gz GFSFJKUXAYJTQX-JTQLQIEISA-N 0 0 381.186 2.344 20 5 GEBDRN C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000504438258 650431402 /nfs/dbraw/zinc/43/14/02/650431402.db2.gz ISEMTTUCBJIRFQ-UWVGGRQHSA-N 0 0 389.861 2.131 20 5 GEBDRN Cc1c(Br)c(=O)n(CC(=O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000506415346 650445077 /nfs/dbraw/zinc/44/50/77/650445077.db2.gz IVTJYZIMZHVSGZ-UHFFFAOYSA-N 0 0 381.182 2.476 20 5 GEBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000506694092 650450405 /nfs/dbraw/zinc/45/04/05/650450405.db2.gz JAGGTNKIIURHKG-JQWIXIFHSA-N 0 0 389.861 2.004 20 5 GEBDRN CC(C)N(C)S(=O)(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000507024633 650453504 /nfs/dbraw/zinc/45/35/04/650453504.db2.gz AJLXXENLQGSSLK-UHFFFAOYSA-N 0 0 384.380 2.200 20 5 GEBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)S1(=O)=O ZINC000461355390 650452546 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20 5 GEBDRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC000509666799 650498665 /nfs/dbraw/zinc/49/86/65/650498665.db2.gz XOTVJVTXNSJNQW-UHFFFAOYSA-N 0 0 387.776 2.304 20 5 GEBDRN Cc1sc(S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467052622 650501893 /nfs/dbraw/zinc/50/18/93/650501893.db2.gz ATUPWIAWBYYQKE-JTQLQIEISA-N 0 0 376.456 2.460 20 5 GEBDRN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467088021 650502278 /nfs/dbraw/zinc/50/22/78/650502278.db2.gz CVSLSRGQFKRRDI-QWHCGFSZSA-N 0 0 389.499 2.375 20 5 GEBDRN Cc1c(Br)cc(C(=O)NCc2ccc(C(N)=O)nc2)cc1[N+](=O)[O-] ZINC000510039093 650505742 /nfs/dbraw/zinc/50/57/42/650505742.db2.gz LISGHFYYVNRQDJ-UHFFFAOYSA-N 0 0 393.197 2.090 20 5 GEBDRN CCOC(=O)c1cc(S(=O)(=O)N[C@H]2CSC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000510558247 650514211 /nfs/dbraw/zinc/51/42/11/650514211.db2.gz JADGSKCRZXFZGX-RNCFNFMXSA-N 0 0 388.467 2.110 20 5 GEBDRN C[S@@](=O)Cc1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000510734452 650518394 /nfs/dbraw/zinc/51/83/94/650518394.db2.gz VBJVQCVXSMBMEX-XMMPIXPASA-N 0 0 382.463 2.093 20 5 GEBDRN Cc1cc(S(=O)(=O)NCc2ccc(C[S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000510662516 650516312 /nfs/dbraw/zinc/51/63/12/650516312.db2.gz LVYVJANZRKQKKW-DEOSSOPVSA-N 0 0 382.463 2.260 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(CO)CCCC2)c(Br)c1 ZINC000472709517 650521688 /nfs/dbraw/zinc/52/16/88/650521688.db2.gz YMGBUGIYQQWMNT-UHFFFAOYSA-N 0 0 393.259 2.188 20 5 GEBDRN CNC(=O)CC[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000510987810 650522722 /nfs/dbraw/zinc/52/27/22/650522722.db2.gz XAIGVXDSFHSTDS-NSHDSACASA-N 0 0 375.472 2.034 20 5 GEBDRN Cc1sc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000511233033 650529907 /nfs/dbraw/zinc/52/99/07/650529907.db2.gz INPJCZAUXMXZQM-RKDXNWHRSA-N 0 0 388.389 2.146 20 5 GEBDRN CCN1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000511226429 650529946 /nfs/dbraw/zinc/52/99/46/650529946.db2.gz 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ZINC000921863270 654335208 /nfs/dbraw/zinc/33/52/08/654335208.db2.gz VXRCAJAZECVHIL-ZWNOBZJWSA-N 0 0 382.360 2.457 20 5 GEBDRN C[C@@]1(C(F)F)CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCO1 ZINC000853998142 654335871 /nfs/dbraw/zinc/33/58/71/654335871.db2.gz TUPOHMOMRATCCD-ZDUSSCGKSA-N 0 0 386.323 2.452 20 5 GEBDRN O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCC1(O)CCOCC1 ZINC000892327220 654340748 /nfs/dbraw/zinc/34/07/48/654340748.db2.gz JQMGSMZAVMHWJA-UHFFFAOYSA-N 0 0 382.214 2.281 20 5 GEBDRN C[C@@H]1CC[C@H](CO)N1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000922003585 654354221 /nfs/dbraw/zinc/35/42/21/654354221.db2.gz MIOYKUFUTKOCIA-LDYMZIIASA-N 0 0 390.177 2.185 20 5 GEBDRN CN(CCOC(=O)c1cn(C)nc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000892634634 654354721 /nfs/dbraw/zinc/35/47/21/654354721.db2.gz BXTMHNKCSIJFAU-UHFFFAOYSA-N 0 0 383.202 2.384 20 5 GEBDRN C[S@](=O)CCN1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC000892658672 654356359 /nfs/dbraw/zinc/35/63/59/654356359.db2.gz WIXMVGBBFAYFLL-VWLOTQADSA-N 0 0 382.873 2.297 20 5 GEBDRN CC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000872533683 654366276 /nfs/dbraw/zinc/36/62/76/654366276.db2.gz BPWGLFPPCJJXTA-UHFFFAOYSA-N 0 0 391.243 2.347 20 5 GEBDRN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000872610110 654380390 /nfs/dbraw/zinc/38/03/90/654380390.db2.gz KBIMAIZQYWDNLS-LDYMZIIASA-N 0 0 386.323 2.464 20 5 GEBDRN CC1=NO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000854795005 654382713 /nfs/dbraw/zinc/38/27/13/654382713.db2.gz UIVBUFZZTGRBHA-VIFPVBQESA-N 0 0 389.149 2.094 20 5 GEBDRN CC[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000835417477 654388800 /nfs/dbraw/zinc/38/88/00/654388800.db2.gz PHMRQZZSQMGKDG-QMMMGPOBSA-N 0 0 380.145 2.456 20 5 GEBDRN COc1cc(CNCc2cn(C)nc2Br)c([N+](=O)[O-])cc1OC ZINC000922469740 654395984 /nfs/dbraw/zinc/39/59/84/654395984.db2.gz HUCWZCUAXSGIBX-UHFFFAOYSA-N 0 0 385.218 2.398 20 5 GEBDRN CO[C@]1(CO)CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000855443829 654418741 /nfs/dbraw/zinc/41/87/41/654418741.db2.gz DTCSVBSQILHKGN-CQSZACIVSA-N 0 0 391.193 2.110 20 5 GEBDRN C[C@@H](O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000855868605 654445681 /nfs/dbraw/zinc/44/56/81/654445681.db2.gz YFJQHLHETKIGQU-PRHODGIISA-N 0 0 390.177 2.185 20 5 GEBDRN C[C@@H](NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1nccn1C ZINC000856281633 654474510 /nfs/dbraw/zinc/47/45/10/654474510.db2.gz QVAZNEJLZIJHHY-SNVBAGLBSA-N 0 0 396.245 2.404 20 5 GEBDRN Cn1c(=O)c([N+](=O)[O-])c(NCC[S@@](=O)CC(F)(F)F)c2ccccc21 ZINC000894488505 654480423 /nfs/dbraw/zinc/48/04/23/654480423.db2.gz BXKFGJXFHNJNIG-RUZDIDTESA-N 0 0 377.344 2.170 20 5 GEBDRN O=C([C@@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1)N1CCOCC1 ZINC000856722389 654486308 /nfs/dbraw/zinc/48/63/08/654486308.db2.gz XDJMUQGQRKGERC-GFCCVEGCSA-N 0 0 398.257 2.433 20 5 GEBDRN CN(OCC(F)(F)F)C(=O)CNc1ncc([N+](=O)[O-])cc1Br ZINC000856802759 654494912 /nfs/dbraw/zinc/49/49/12/654494912.db2.gz OGVCBKVAMJWNRA-UHFFFAOYSA-N 0 0 387.112 2.117 20 5 GEBDRN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCc2ncc(Br)n2C1 ZINC000907281326 654527214 /nfs/dbraw/zinc/52/72/14/654527214.db2.gz OGHJFYNJJISBEZ-JTQLQIEISA-N 0 0 397.204 2.367 20 5 GEBDRN CO[C@H]1CCN2C(=O)N(Cc3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000925087589 654533569 /nfs/dbraw/zinc/53/35/69/654533569.db2.gz WXCLVGDTHAEBDZ-AAEUAGOBSA-N 0 0 398.213 2.299 20 5 GEBDRN CO[C@H]1CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000907880420 654586196 /nfs/dbraw/zinc/58/61/96/654586196.db2.gz KMTFLXPXRJJRGP-ONGXEEELSA-N 0 0 397.222 2.294 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000908411236 654627514 /nfs/dbraw/zinc/62/75/14/654627514.db2.gz QGRILLQYNVPOFM-ZYHUDNBSSA-N 0 0 380.344 2.317 20 5 GEBDRN COc1c(F)cc(S(=O)(=O)N2C[C@@H]3CSC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000908445111 654629788 /nfs/dbraw/zinc/62/97/88/654629788.db2.gz YSUGTTCISZZOKP-OTYXRUKQSA-N 0 0 376.431 2.116 20 5 GEBDRN O=C1NCCN1[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929648733 654689363 /nfs/dbraw/zinc/68/93/63/654689363.db2.gz GVYRLKMJKXKINT-CYBMUJFWSA-N 0 0 383.246 2.347 20 5 GEBDRN Cn1cc(N2CCN(Cc3cc([N+](=O)[O-])ccc3Br)CC2)cn1 ZINC000929764090 654691837 /nfs/dbraw/zinc/69/18/37/654691837.db2.gz KYOPQXFTFSGQQY-UHFFFAOYSA-N 0 0 380.246 2.413 20 5 GEBDRN COC[C@](C)(CC(=O)OC)NCc1c(Br)cccc1[N+](=O)[O-] ZINC000930017758 654697517 /nfs/dbraw/zinc/69/75/17/654697517.db2.gz KLYCTEAWNDIPIB-AWEZNQCLSA-N 0 0 375.219 2.415 20 5 GEBDRN Cn1ccnc1N1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930061335 654698440 /nfs/dbraw/zinc/69/84/40/654698440.db2.gz LBXWLFTVYOTINY-UHFFFAOYSA-N 0 0 380.246 2.413 20 5 GEBDRN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H](C)S1(=O)=O ZINC000930525315 654712316 /nfs/dbraw/zinc/71/23/16/654712316.db2.gz RONNHULWBQFDEF-UWVGGRQHSA-N 0 0 377.260 2.365 20 5 GEBDRN Cc1nc(N2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000931628390 654749762 /nfs/dbraw/zinc/74/97/62/654749762.db2.gz BFAGAIDGHGAIBF-UHFFFAOYSA-N 0 0 381.234 2.106 20 5 GEBDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000913162804 654785794 /nfs/dbraw/zinc/78/57/94/654785794.db2.gz TXUQXCNTBRWOBS-KGLIPLIRSA-N 0 0 386.857 2.359 20 5 GEBDRN O=C(OC/C=C\Cl)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000913328294 654788912 /nfs/dbraw/zinc/78/89/12/654788912.db2.gz OPMQBEWPYUGMNC-YZGHKGICSA-N 0 0 388.829 2.434 20 5 GEBDRN C[C@H]([C@H](C)N(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])S(C)(=O)=O ZINC000932765539 654788882 /nfs/dbraw/zinc/78/88/82/654788882.db2.gz XEULJEWXFHSAOK-WDEREUQCSA-N 0 0 376.862 2.461 20 5 GEBDRN CSCCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000913327776 654788929 /nfs/dbraw/zinc/78/89/29/654788929.db2.gz VDQYXBFPBAORFF-CQSZACIVSA-N 0 0 388.467 2.044 20 5 GEBDRN C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)CS2 ZINC000913387776 654790130 /nfs/dbraw/zinc/79/01/30/654790130.db2.gz RVHCHGAJMSIZLS-ABAIWWIYSA-N 0 0 387.820 2.458 20 5 GEBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3cc(Br)c(F)cc3C2)c1 ZINC000932790179 654790727 /nfs/dbraw/zinc/79/07/27/654790727.db2.gz TWHVYHFXPBQRJU-ZDUSSCGKSA-N 0 0 399.220 2.112 20 5 GEBDRN CN1C(=S)N=NC1Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000913489567 654795345 /nfs/dbraw/zinc/79/53/45/654795345.db2.gz FWFWEEGBFSQDAW-UHFFFAOYSA-N 0 0 376.423 2.312 20 5 GEBDRN C[C@H]1CS(=O)(=O)CCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000933305166 654807621 /nfs/dbraw/zinc/80/76/21/654807621.db2.gz XPCMSTHMKRZIOU-JTQLQIEISA-N 0 0 377.260 2.366 20 5 GEBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000934391801 654848853 /nfs/dbraw/zinc/84/88/53/654848853.db2.gz MXYAPJOFBOTXOK-UKRRQHHQSA-N 0 0 384.479 2.499 20 5 GEBDRN CC(C)(C)NS(=O)(=O)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915308354 654868312 /nfs/dbraw/zinc/86/83/12/654868312.db2.gz BRXCIQXJPRYNRW-UHFFFAOYSA-N 0 0 378.838 2.088 20 5 GEBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)CCOCC(F)(F)F ZINC000934977225 654869006 /nfs/dbraw/zinc/86/90/06/654869006.db2.gz BHLNXINXWIANNH-UHFFFAOYSA-N 0 0 382.360 2.330 20 5 GEBDRN CCOc1nc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164784858 721420186 /nfs/dbraw/zinc/42/01/86/721420186.db2.gz LRWNQHBJJCGCSQ-STQMWFEESA-N 0 0 375.454 2.413 20 5 GEBDRN CC(C)N(C)Cc1nnc2n1CCCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001165007519 721695889 /nfs/dbraw/zinc/69/58/89/721695889.db2.gz DLUVDFVURLMVPF-UHFFFAOYSA-N 0 0 379.852 2.485 20 5 GEBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001164944878 721938812 /nfs/dbraw/zinc/93/88/12/721938812.db2.gz UPYIGTWXEKWQPZ-JKSUJKDBSA-N 0 0 393.831 2.338 20 5 GEBDRN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCN(CCOc3ccccc3)CC2)c1 ZINC001165045582 721957757 /nfs/dbraw/zinc/95/77/57/721957757.db2.gz ZTLGHHDAIVEEKV-UHFFFAOYSA-N 0 0 378.816 2.083 20 5 GEBDRN Cc1nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)ccc1[N+](=O)[O-] ZINC001165003908 722260257 /nfs/dbraw/zinc/26/02/57/722260257.db2.gz LVQNKJMPEBBAMH-HXUWFJFHSA-N 0 0 399.426 2.365 20 5 GEBDRN COc1ncnc(N(C)C)c1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000151963368 531523962 /nfs/dbraw/zinc/52/39/62/531523962.db2.gz YSHUCWLLNSRXIR-UHFFFAOYSA-N 0 0 396.201 2.474 20 5 GEBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)c1 ZINC000152210048 531536970 /nfs/dbraw/zinc/53/69/70/531536970.db2.gz DMTMHOYHFRWWHY-JGZJWPJOSA-N 0 0 393.259 2.187 20 5 GEBDRN CN1CC[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000152446662 531551731 /nfs/dbraw/zinc/55/17/31/531551731.db2.gz MXFAGBBTPABOCY-VIFPVBQESA-N 0 0 377.344 2.053 20 5 GEBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000152198436 531535783 /nfs/dbraw/zinc/53/57/83/531535783.db2.gz WVOAAAGXTCNFJC-UONOGXRCSA-N 0 0 385.214 2.377 20 5 GEBDRN Cc1nn(C)c(=O)c(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1C ZINC000152778893 531569304 /nfs/dbraw/zinc/56/93/04/531569304.db2.gz IRKXNFAHNDRTDU-UHFFFAOYSA-N 0 0 396.197 2.425 20 5 GEBDRN Cc1cc(NC(=O)CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000152990861 531581507 /nfs/dbraw/zinc/58/15/07/531581507.db2.gz 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GEBDRN O=C(C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000186900291 532342476 /nfs/dbraw/zinc/34/24/76/532342476.db2.gz MKFGZBAYDNKDGB-UHFFFAOYSA-N 0 0 384.307 2.266 20 5 GEBDRN Cc1nc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000183698673 532327996 /nfs/dbraw/zinc/32/79/96/532327996.db2.gz PZSRJJPWUSGRMY-UHFFFAOYSA-N 0 0 384.190 2.119 20 5 GEBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1Cc2cccc(Br)c2C1 ZINC000184230808 532331518 /nfs/dbraw/zinc/33/15/18/532331518.db2.gz ODCGKTXQIKHVNG-UHFFFAOYSA-N 0 0 378.182 2.061 20 5 GEBDRN COC[C@H](C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000184338954 532332243 /nfs/dbraw/zinc/33/22/43/532332243.db2.gz JNFZPWOTURIFQV-VIFPVBQESA-N 0 0 388.218 2.098 20 5 GEBDRN CC(C)(C)S(=O)(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184779956 532334789 /nfs/dbraw/zinc/33/47/89/532334789.db2.gz XQYZCPBRVWFXAG-UHFFFAOYSA-N 0 0 393.259 2.300 20 5 GEBDRN Cc1ccccc1C[C@@H](CO)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188273377 532347658 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Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)O ZINC000189447158 532352227 /nfs/dbraw/zinc/35/22/27/532352227.db2.gz NTFFUCPIFRAACI-UHFFFAOYSA-N 0 0 381.248 2.057 20 5 GEBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCCO ZINC000189443116 532352292 /nfs/dbraw/zinc/35/22/92/532352292.db2.gz QLCRFMJVNWWHJB-SECBINFHSA-N 0 0 381.248 2.105 20 5 GEBDRN CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190420678 532355980 /nfs/dbraw/zinc/35/59/80/532355980.db2.gz KDXRCOGIBKUCDB-QWHCGFSZSA-N 0 0 385.207 2.365 20 5 GEBDRN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000278398367 532378671 /nfs/dbraw/zinc/37/86/71/532378671.db2.gz BGMIIHABFRDKIG-ZETCQYMHSA-N 0 0 378.336 2.327 20 5 GEBDRN Cc1c(Cl)cc(S(=O)(=O)NCCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000590586399 532378085 /nfs/dbraw/zinc/37/80/85/532378085.db2.gz LYPPBTWYUMJVMV-AWEZNQCLSA-N 0 0 378.834 2.378 20 5 GEBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589921892 532362588 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CS(=O)(=O)c1ccc(N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000277427970 646418333 /nfs/dbraw/zinc/41/83/33/646418333.db2.gz MDVPBJQDEPRTAF-NOZJJQNGSA-N 0 0 382.360 2.138 20 5 GEBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277468118 646426247 /nfs/dbraw/zinc/42/62/47/646426247.db2.gz JSIJDARBWHTSBM-MFKMUULPSA-N 0 0 382.360 2.227 20 5 GEBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277468186 646426256 /nfs/dbraw/zinc/42/62/56/646426256.db2.gz JTRJATRQZGGCCV-MFKMUULPSA-N 0 0 382.360 2.060 20 5 GEBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277492738 646430792 /nfs/dbraw/zinc/43/07/92/646430792.db2.gz OAPYTLFQNXHMCX-QPUJVOFHSA-N 0 0 386.323 2.058 20 5 GEBDRN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277604780 646449823 /nfs/dbraw/zinc/44/98/23/646449823.db2.gz QCNNCSAVVHOTNZ-AOUSDQRYSA-N 0 0 375.244 2.198 20 5 GEBDRN C[C@H]1COCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 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Cc1ccc(S(=O)(=O)NCc2ccc(C[S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000510674099 650516639 /nfs/dbraw/zinc/51/66/39/650516639.db2.gz HFGSCWRNCLLXRA-DEOSSOPVSA-N 0 0 382.463 2.260 20 5 GEBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(C[S@](C)=O)cc1 ZINC000510715740 650517736 /nfs/dbraw/zinc/51/77/36/650517736.db2.gz JKCUWYQSZXSNGF-DEOSSOPVSA-N 0 0 382.463 2.260 20 5 GEBDRN Cc1c(Br)cc(C(=O)Nc2cc(C(N)=O)n(C)c2)cc1[N+](=O)[O-] ZINC000512629078 650551798 /nfs/dbraw/zinc/55/17/98/650551798.db2.gz IGDUGNWSSNRBMS-UHFFFAOYSA-N 0 0 381.186 2.355 20 5 GEBDRN Cc1csc([C@@H](C)NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000476978320 650564595 /nfs/dbraw/zinc/56/45/95/650564595.db2.gz FEQKBOSKWJIOCE-SECBINFHSA-N 0 0 385.423 2.170 20 5 GEBDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000514060634 650573150 /nfs/dbraw/zinc/57/31/50/650573150.db2.gz PZUNERQXOGLAGL-SCZZXKLOSA-N 0 0 380.344 2.411 20 5 GEBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000514486376 650574008 /nfs/dbraw/zinc/57/40/08/650574008.db2.gz XEANIXUADKLRSY-UHFFFAOYSA-N 0 0 380.407 2.199 20 5 GEBDRN CC(=O)NCCc1ccc(C(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)s1 ZINC000477512981 650575172 /nfs/dbraw/zinc/57/51/72/650575172.db2.gz BCBKORHEHUPFQT-UHFFFAOYSA-N 0 0 383.813 2.033 20 5 GEBDRN CC(=O)NCc1ccc(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000515605289 650592928 /nfs/dbraw/zinc/59/29/28/650592928.db2.gz WDPDANOAMJCPFH-UHFFFAOYSA-N 0 0 381.186 2.073 20 5 GEBDRN CCCCNC(=O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000478901068 650593018 /nfs/dbraw/zinc/59/30/18/650593018.db2.gz QUOSCMATZSOAGT-UHFFFAOYSA-N 0 0 378.166 2.495 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)NCc2ccn(C)c2)cc1[N+](=O)[O-] ZINC000479208848 650599134 /nfs/dbraw/zinc/59/91/34/650599134.db2.gz WPSKRFQKVUPSJJ-UHFFFAOYSA-N 0 0 388.243 2.483 20 5 GEBDRN C[C@H](CC[S@](C)=O)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000479933884 650612889 /nfs/dbraw/zinc/61/28/89/650612889.db2.gz UIAVICQIAWQRRX-IJRMKIOGSA-N 0 0 382.360 2.423 20 5 GEBDRN C[C@@H](CC[S@@](C)=O)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000479933885 650612917 /nfs/dbraw/zinc/61/29/17/650612917.db2.gz UIAVICQIAWQRRX-OLUQVHSISA-N 0 0 382.360 2.423 20 5 GEBDRN CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480434150 650621765 /nfs/dbraw/zinc/62/17/65/650621765.db2.gz DIXDNHHLQSEGBS-JSGCOSHPSA-N 0 0 385.207 2.365 20 5 GEBDRN CCCN([C@H](CC)C(=O)OCC)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000480857715 650635123 /nfs/dbraw/zinc/63/51/23/650635123.db2.gz ZMFUGBZXSBQVNN-GFCCVEGCSA-N 0 0 376.406 2.476 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](COc3ccccc3)C2)s1 ZINC000480868406 650635709 /nfs/dbraw/zinc/63/57/09/650635709.db2.gz NBGDCAJMQCRWCB-ZDUSSCGKSA-N 0 0 384.435 2.125 20 5 GEBDRN CNS(=O)(=O)c1ccc(S[C@@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000481121393 650640804 /nfs/dbraw/zinc/64/08/04/650640804.db2.gz YQDPWUDLIVBIGL-VIFPVBQESA-N 0 0 376.456 2.325 20 5 GEBDRN Cc1c(CNC(=O)Cn2cc(Br)ccc2=O)cccc1[N+](=O)[O-] ZINC000481481095 650647537 /nfs/dbraw/zinc/64/75/37/650647537.db2.gz NSMPVKCPMHKWTC-UHFFFAOYSA-N 0 0 380.198 2.144 20 5 GEBDRN Cc1sc(S(=O)(=O)N2CC(C)(C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000481586488 650649698 /nfs/dbraw/zinc/64/96/98/650649698.db2.gz IGMQCRJCKWENJB-OAHLLOKOSA-N 0 0 390.483 2.313 20 5 GEBDRN CN(Cc1cc[nH]n1)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000482807964 650668846 /nfs/dbraw/zinc/66/88/46/650668846.db2.gz YKSFLUGMUMEYRZ-UHFFFAOYSA-N 0 0 386.149 2.195 20 5 GEBDRN CCn1cc(S(=O)(=O)N[C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])n1 ZINC000485934003 650703074 /nfs/dbraw/zinc/70/30/74/650703074.db2.gz OOQFLIUDNWEOIW-VIFPVBQESA-N 0 0 381.439 2.460 20 5 GEBDRN CC(C)CN1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000485995907 650704816 /nfs/dbraw/zinc/70/48/16/650704816.db2.gz LDFGYYHUZWAACY-LBPRGKRZSA-N 0 0 398.261 2.335 20 5 GEBDRN C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ncc(Br)cn1 ZINC000486630315 650717035 /nfs/dbraw/zinc/71/70/35/650717035.db2.gz OIZHFTDAGHZTAL-SSDOTTSWSA-N 0 0 395.169 2.367 20 5 GEBDRN CSc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000486963095 650726043 /nfs/dbraw/zinc/72/60/43/650726043.db2.gz ZTQOKIDQERSQPD-JSGCOSHPSA-N 0 0 384.479 2.499 20 5 GEBDRN Cn1cc(Br)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1=O ZINC000530954902 650731640 /nfs/dbraw/zinc/73/16/40/650731640.db2.gz YILDVPKKWPFIPY-UHFFFAOYSA-N 0 0 396.153 2.037 20 5 GEBDRN O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)NCc1ccco1 ZINC000004800816 642325660 /nfs/dbraw/zinc/32/56/60/642325660.db2.gz FSAPMWXVJQZQIC-UHFFFAOYSA-N 0 0 383.154 2.424 20 5 GEBDRN CN(Cc1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000007365822 642338436 /nfs/dbraw/zinc/33/84/36/642338436.db2.gz VYQSUUZZJHIVPE-UHFFFAOYSA-N 0 0 378.435 2.488 20 5 GEBDRN COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000007553660 642341558 /nfs/dbraw/zinc/34/15/58/642341558.db2.gz OUSYEEYXDRPVLS-ZDUSSCGKSA-N 0 0 385.829 2.231 20 5 GEBDRN Nn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccs1 ZINC000009291098 642355035 /nfs/dbraw/zinc/35/50/35/642355035.db2.gz XJXHIWCWJJJOOX-UHFFFAOYSA-N 0 0 376.423 2.359 20 5 GEBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000010988741 642365010 /nfs/dbraw/zinc/36/50/10/642365010.db2.gz ZYALOTGWLRHQQA-LLVKDONJSA-N 0 0 394.280 2.095 20 5 GEBDRN Cc1ccc(S(=O)(=O)NCc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000532167763 650745527 /nfs/dbraw/zinc/74/55/27/650745527.db2.gz VFEAKSWXEZVFCN-UHFFFAOYSA-N 0 0 378.332 2.141 20 5 GEBDRN CN(C)S(=O)(=O)c1ccc(N2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000488451011 650746087 /nfs/dbraw/zinc/74/60/87/650746087.db2.gz RJBHDAQIMWRFQV-UONOGXRCSA-N 0 0 375.397 2.327 20 5 GEBDRN CN(C)S(=O)(=O)c1ccc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000488451010 650746133 /nfs/dbraw/zinc/74/61/33/650746133.db2.gz RJBHDAQIMWRFQV-KGLIPLIRSA-N 0 0 375.397 2.327 20 5 GEBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OC[C@H]1CC1(Cl)Cl ZINC000026415012 642432582 /nfs/dbraw/zinc/43/25/82/642432582.db2.gz RMYOQEGUCYYHJC-MRVPVSSYSA-N 0 0 375.164 2.057 20 5 GEBDRN O=C(NC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1I ZINC000032478321 642494540 /nfs/dbraw/zinc/49/45/40/642494540.db2.gz VSKGSJPPJCZFRB-SECBINFHSA-N 0 0 376.150 2.108 20 5 GEBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cnn(C)c1 ZINC000032539532 642495900 /nfs/dbraw/zinc/49/59/00/642495900.db2.gz LFZLWSNWLUTFGP-UHFFFAOYSA-N 0 0 382.218 2.161 20 5 GEBDRN O=C(NCCN1CCSCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488897660 650752040 /nfs/dbraw/zinc/75/20/40/650752040.db2.gz QFJNIRKJQUWPJO-UHFFFAOYSA-N 0 0 378.479 2.497 20 5 GEBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCOc1cccc(Cl)c1Cl ZINC000532677728 650752097 /nfs/dbraw/zinc/75/20/97/650752097.db2.gz LNJHXCUBIKDUMY-UHFFFAOYSA-N 0 0 386.191 2.259 20 5 GEBDRN O=C(Nc1nncs1)c1cc([N+](=O)[O-])ccc1I ZINC000033244707 642503919 /nfs/dbraw/zinc/50/39/19/642503919.db2.gz UTSVXQBOBRANRN-UHFFFAOYSA-N 0 0 376.135 2.303 20 5 GEBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCO1 ZINC000035247380 642507242 /nfs/dbraw/zinc/50/72/42/642507242.db2.gz CFNMEXHIGVZNBB-JTQLQIEISA-N 0 0 390.177 2.450 20 5 GEBDRN Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)ccc1=O ZINC000038102565 642516712 /nfs/dbraw/zinc/51/67/12/642516712.db2.gz GTNJXIMIEDXROV-UHFFFAOYSA-N 0 0 399.144 2.150 20 5 GEBDRN COCCCCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000044317914 642575074 /nfs/dbraw/zinc/57/50/74/642575074.db2.gz BCBMEIGDTCTTCX-UHFFFAOYSA-N 0 0 378.166 2.356 20 5 GEBDRN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2I)on1 ZINC000045005747 642586256 /nfs/dbraw/zinc/58/62/56/642586256.db2.gz SYPWDTDUJSMKRY-UHFFFAOYSA-N 0 0 387.133 2.426 20 5 GEBDRN CN(CCOc1ccc(Br)cc1)C(=O)Cn1nccc1[N+](=O)[O-] ZINC000047169888 642622511 /nfs/dbraw/zinc/62/25/11/642622511.db2.gz PHHCDVLFZUYECF-UHFFFAOYSA-N 0 0 383.202 2.091 20 5 GEBDRN COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C(C)C ZINC000490416744 650772297 /nfs/dbraw/zinc/77/22/97/650772297.db2.gz CHTALTQVYNUUJT-FZMZJTMJSA-N 0 0 390.845 2.456 20 5 GEBDRN COc1cc(S(=O)(=O)NCCc2nnc(C(C)C)s2)ccc1[N+](=O)[O-] ZINC000490479289 650773947 /nfs/dbraw/zinc/77/39/47/650773947.db2.gz SEUUXSFKQZLJEO-UHFFFAOYSA-N 0 0 386.455 2.099 20 5 GEBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCc1cnc(C2CC2)nc1 ZINC000534405623 650774184 /nfs/dbraw/zinc/77/41/84/650774184.db2.gz LAKKTAYQDPTWHI-UHFFFAOYSA-N 0 0 382.829 2.437 20 5 GEBDRN CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000050373830 642681094 /nfs/dbraw/zinc/68/10/94/642681094.db2.gz VDSHDBBWJINMGB-MWLCHTKSSA-N 0 0 379.232 2.203 20 5 GEBDRN O=C(Cn1cccc([N+](=O)[O-])c1=O)c1ccc(I)cc1 ZINC000050445746 642682691 /nfs/dbraw/zinc/68/26/91/642682691.db2.gz XBCUGAOLJPPKBB-UHFFFAOYSA-N 0 0 384.129 2.244 20 5 GEBDRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000053866915 642741428 /nfs/dbraw/zinc/74/14/28/642741428.db2.gz FLYSLCXHSVHDNS-UHFFFAOYSA-N 0 0 383.813 2.086 20 5 GEBDRN COc1ccc(CC(=O)Nc2c[nH]cc(Br)c2=O)cc1[N+](=O)[O-] ZINC000534850104 650781615 /nfs/dbraw/zinc/78/16/15/650781615.db2.gz PWKILNZTEFCHLA-UHFFFAOYSA-N 0 0 382.170 2.235 20 5 GEBDRN COc1c(F)cc(S(=O)(=O)N(C)C2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000491559316 650787091 /nfs/dbraw/zinc/78/70/91/650787091.db2.gz KAYGEPIIZWQTBG-UHFFFAOYSA-N 0 0 376.406 2.321 20 5 GEBDRN O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2cncc(Br)c2)c1 ZINC000535361702 650787338 /nfs/dbraw/zinc/78/73/38/650787338.db2.gz GLDBJQTZHGDPTE-UHFFFAOYSA-N 0 0 386.227 2.273 20 5 GEBDRN O=[N+]([O-])c1sccc1N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000063256122 642855749 /nfs/dbraw/zinc/85/57/49/642855749.db2.gz YQAQSDXUHFSLEH-UHFFFAOYSA-N 0 0 389.405 2.445 20 5 GEBDRN O=[N+]([O-])c1cnn(CCNCc2cn(-c3ccc(Cl)cc3Cl)nn2)c1 ZINC000535942761 650792476 /nfs/dbraw/zinc/79/24/76/650792476.db2.gz IFJUGTZLJHDPHT-UHFFFAOYSA-N 0 0 382.211 2.469 20 5 GEBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCc1cc(Br)ccc1F ZINC000065744989 642886569 /nfs/dbraw/zinc/88/65/69/642886569.db2.gz SXTYXAHAUYDAIG-UHFFFAOYSA-N 0 0 385.193 2.360 20 5 GEBDRN CCCNC(=O)c1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066000696 642893956 /nfs/dbraw/zinc/89/39/56/642893956.db2.gz AEWKXFDUANWOBL-UHFFFAOYSA-N 0 0 383.451 2.275 20 5 GEBDRN CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCOCC1 ZINC000066327620 642908703 /nfs/dbraw/zinc/90/87/03/642908703.db2.gz MBMHJZKLFBRVMK-ZDUSSCGKSA-N 0 0 391.515 2.072 20 5 GEBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCS1 ZINC000066579027 642923797 /nfs/dbraw/zinc/92/37/97/642923797.db2.gz ZEAXEFXBTIWLJZ-MRVPVSSYSA-N 0 0 381.273 2.483 20 5 GEBDRN C[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCS1 ZINC000066579029 642923878 /nfs/dbraw/zinc/92/38/78/642923878.db2.gz ZEAXEFXBTIWLJZ-QMMMGPOBSA-N 0 0 381.273 2.483 20 5 GEBDRN CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000493976438 650800154 /nfs/dbraw/zinc/80/01/54/650800154.db2.gz HWMBACGMAWTIOK-QWRGUYRKSA-N 0 0 392.861 2.297 20 5 GEBDRN Nc1c(C(=O)N[C@@H](CO)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000536441429 650802085 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CCN1C[C@H](CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1=O ZINC000593826052 532497960 /nfs/dbraw/zinc/49/79/60/532497960.db2.gz RNAUDPQITJLPLK-JTQLQIEISA-N 0 0 384.230 2.264 20 5 GEBDRN Cc1c(Br)cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000469259714 532498417 /nfs/dbraw/zinc/49/84/17/532498417.db2.gz KDTPVYWXMMYQGP-UHFFFAOYSA-N 0 0 380.198 2.294 20 5 GEBDRN C[C@@]12COC[C@H]1CN(S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000594856289 532535752 /nfs/dbraw/zinc/53/57/52/532535752.db2.gz LJRCFINXRBMHEX-NOZJJQNGSA-N 0 0 391.243 2.014 20 5 GEBDRN CCC[C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431641160 532519878 /nfs/dbraw/zinc/51/98/78/532519878.db2.gz UHVXRHOGBKKDFC-SNVBAGLBSA-N 0 0 377.850 2.079 20 5 GEBDRN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000594699557 532521017 /nfs/dbraw/zinc/52/10/17/532521017.db2.gz JOKJJORJAJWQQO-NSHDSACASA-N 0 0 384.332 2.066 20 5 GEBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ncc[nH]1 ZINC000564355770 532522634 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GEBDRN C[C@H](O)CCCNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296620591 532531495 /nfs/dbraw/zinc/53/14/95/532531495.db2.gz BNRGNQDKFPMGMP-QMMMGPOBSA-N 0 0 393.181 2.482 20 5 GEBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C(C)C ZINC000283330349 532532935 /nfs/dbraw/zinc/53/29/35/532532935.db2.gz WLADBJCOXSLPKH-LBPRGKRZSA-N 0 0 392.193 2.255 20 5 GEBDRN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)C1O ZINC000594847265 532534461 /nfs/dbraw/zinc/53/44/61/532534461.db2.gz YCZWHZXNIZZIHX-IUCAKERBSA-N 0 0 382.360 2.251 20 5 GEBDRN C[C@@H](CO)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296700744 532534716 /nfs/dbraw/zinc/53/47/16/532534716.db2.gz KKAMCFFCZGKGCO-ZETCQYMHSA-N 0 0 379.154 2.044 20 5 GEBDRN C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCS1(=O)=O ZINC000296925136 532553503 /nfs/dbraw/zinc/55/35/03/532553503.db2.gz UJEIVKZYTADGGM-XVKPBYJWSA-N 0 0 381.332 2.311 20 5 GEBDRN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N(C1CC1)C1COC1 ZINC000296939996 532554646 /nfs/dbraw/zinc/55/46/46/532554646.db2.gz GQYQAUYRSCSKEA-UHFFFAOYSA-N 0 0 395.206 2.048 20 5 GEBDRN O=C(c1nc(Br)cs1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296994934 532559596 /nfs/dbraw/zinc/55/95/96/532559596.db2.gz QMTBEQYFLGGTJH-UHFFFAOYSA-N 0 0 398.242 2.171 20 5 GEBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nccn1C ZINC000595382473 532562564 /nfs/dbraw/zinc/56/25/64/532562564.db2.gz JCZBDRYJPWSSPP-MRVPVSSYSA-N 0 0 378.332 2.387 20 5 GEBDRN O=[N+]([O-])c1ccn(CCN2CCN(c3ccc(Br)cc3)CC2)n1 ZINC000595722710 532570083 /nfs/dbraw/zinc/57/00/83/532570083.db2.gz GPTCZIKNFWSLIM-UHFFFAOYSA-N 0 0 380.246 2.376 20 5 GEBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000595569044 532566735 /nfs/dbraw/zinc/56/67/35/532566735.db2.gz ZONXRTXISGNGTQ-GFCCVEGCSA-N 0 0 388.211 2.131 20 5 GEBDRN CCOC(=O)Cc1cnc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000296827950 532546419 /nfs/dbraw/zinc/54/64/19/532546419.db2.gz WFJNWGZDRZFYDB-UHFFFAOYSA-N 0 0 385.423 2.266 20 5 GEBDRN Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000247387200 532547979 /nfs/dbraw/zinc/54/79/79/532547979.db2.gz GCTSCCCZONWONB-RKDXNWHRSA-N 0 0 393.259 2.464 20 5 GEBDRN Cc1c(NC(=O)C(=O)N2CC[C@H]3C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000595190293 532548470 /nfs/dbraw/zinc/54/84/70/532548470.db2.gz JBKHRROYSDWWNM-UWVGGRQHSA-N 0 0 382.214 2.473 20 5 GEBDRN Cc1noc(CS(=O)(=O)Cc2ncsc2Br)c1[N+](=O)[O-] ZINC000596038854 532582690 /nfs/dbraw/zinc/58/26/90/532582690.db2.gz OKIKWTXVYFYSIP-UHFFFAOYSA-N 0 0 382.217 2.225 20 5 GEBDRN Cc1c(Br)cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284272213 532583461 /nfs/dbraw/zinc/58/34/61/532583461.db2.gz YGSUZESZUAUANM-CABCVRRESA-N 0 0 398.257 2.211 20 5 GEBDRN CN(C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000596089923 532586476 /nfs/dbraw/zinc/58/64/76/532586476.db2.gz MIOOACYRCMUMKP-UHFFFAOYSA-N 0 0 392.275 2.218 20 5 GEBDRN Cc1cc(S(=O)(=O)NCCNc2c(Cl)cncc2[N+](=O)[O-])c(C)s1 ZINC000596170663 532589301 /nfs/dbraw/zinc/58/93/01/532589301.db2.gz YGMAMVJINFYIII-UHFFFAOYSA-N 0 0 390.874 2.134 20 5 GEBDRN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595735385 532571076 /nfs/dbraw/zinc/57/10/76/532571076.db2.gz GNOLKCKOZAYDIC-CYBMUJFWSA-N 0 0 392.193 2.047 20 5 GEBDRN COc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000472316209 532571442 /nfs/dbraw/zinc/57/14/42/532571442.db2.gz DPEZYUDYLFJXKG-UHFFFAOYSA-N 0 0 387.801 2.009 20 5 GEBDRN O=C(NCCC1(O)CCC1)c1ccc([N+](=O)[O-])cc1I ZINC000565766597 532576814 /nfs/dbraw/zinc/57/68/14/532576814.db2.gz OZLSAVHGDOBFLL-UHFFFAOYSA-N 0 0 390.177 2.234 20 5 GEBDRN C[C@@H](CCCO)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000284173762 532580039 /nfs/dbraw/zinc/58/00/39/532580039.db2.gz XJIUOGMAWBROMF-QMMMGPOBSA-N 0 0 393.181 2.482 20 5 GEBDRN CC(=O)N1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435322494 532613758 /nfs/dbraw/zinc/61/37/58/532613758.db2.gz DFLMYILUSMSZIK-NSHDSACASA-N 0 0 385.218 2.408 20 5 GEBDRN CCOCCS(=O)(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284767642 532617902 /nfs/dbraw/zinc/61/79/02/532617902.db2.gz VSSIBQVAMFUZNU-UHFFFAOYSA-N 0 0 393.259 2.082 20 5 GEBDRN O=C1N(CCNc2ncc([N+](=O)[O-])cc2Br)C[C@H]2CCCCN12 ZINC000596533148 532597561 /nfs/dbraw/zinc/59/75/61/532597561.db2.gz HYMUFWQNMRBMIP-SNVBAGLBSA-N 0 0 384.234 2.454 20 5 GEBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1nnc(C)s1 ZINC000596557941 532598595 /nfs/dbraw/zinc/59/85/95/532598595.db2.gz ZTJZRIXMKVVTBM-UHFFFAOYSA-N 0 0 385.471 2.079 20 5 GEBDRN Cc1cc(NC(=O)NCCNS(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000473791303 532599644 /nfs/dbraw/zinc/59/96/44/532599644.db2.gz YGRTTYLLISGVLR-UHFFFAOYSA-N 0 0 384.439 2.065 20 5 GEBDRN Cc1c(NC(=O)N2C[C@H](C)O[C@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330885 532613134 /nfs/dbraw/zinc/61/31/34/532613134.db2.gz XAUZMBNBWFIMRN-KWQFWETISA-N 0 0 388.218 2.279 20 5 GEBDRN COC[C@H](CCO)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435332244 532613344 /nfs/dbraw/zinc/61/33/44/532613344.db2.gz LFTRZQWIYLVILS-JTQLQIEISA-N 0 0 376.207 2.185 20 5 GEBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CCOCCO)C1CCC1 ZINC000597858263 532629097 /nfs/dbraw/zinc/62/90/97/532629097.db2.gz WVHNPECBNNXVAJ-UHFFFAOYSA-N 0 0 387.230 2.361 20 5 GEBDRN CC(C)NS(=O)(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000376815288 532630238 /nfs/dbraw/zinc/63/02/38/532630238.db2.gz HBRRCLSRSGTLJH-LLVKDONJSA-N 0 0 379.385 2.103 20 5 GEBDRN CO[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000597882647 532630392 /nfs/dbraw/zinc/63/03/92/532630392.db2.gz XVQVMTGWFFDVAI-APPZFPTMSA-N 0 0 379.232 2.200 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)c(Cl)c1 ZINC000263663975 532633324 /nfs/dbraw/zinc/63/33/24/532633324.db2.gz KQSYTRXALBBZGR-JTQLQIEISA-N 0 0 376.818 2.022 20 5 GEBDRN O=[N+]([O-])c1cccc(Br)c1OCc1nnn(CC(F)(F)F)n1 ZINC000567002257 532635321 /nfs/dbraw/zinc/63/53/21/532635321.db2.gz GZEPGMDIVNPZIE-UHFFFAOYSA-N 0 0 382.096 2.485 20 5 GEBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000598002181 532636815 /nfs/dbraw/zinc/63/68/15/532636815.db2.gz WXKSZSQVPJEJOY-ZDUSSCGKSA-N 0 0 376.381 2.175 20 5 GEBDRN C[C@@H]1CN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598001330 532636838 /nfs/dbraw/zinc/63/68/38/532636838.db2.gz ZECJEVQHYWNRSI-WDEREUQCSA-N 0 0 386.246 2.196 20 5 GEBDRN COc1ncc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C)c1Br ZINC000598021588 532637508 /nfs/dbraw/zinc/63/75/08/532637508.db2.gz UHWQRRPHGJVTLG-UHFFFAOYSA-N 0 0 384.190 2.295 20 5 GEBDRN CN(C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000263764557 532639189 /nfs/dbraw/zinc/63/91/89/532639189.db2.gz RDECAUWHSZPRME-UHFFFAOYSA-N 0 0 392.275 2.218 20 5 GEBDRN CO[C@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000263771624 532640583 /nfs/dbraw/zinc/64/05/83/532640583.db2.gz HFPCPVXFKLIXDC-MRVPVSSYSA-N 0 0 378.166 2.354 20 5 GEBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000598170765 532642456 /nfs/dbraw/zinc/64/24/56/532642456.db2.gz CNPNYAZLYHKWOP-CABZTGNLSA-N 0 0 382.214 2.098 20 5 GEBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1 ZINC000264069489 532660185 /nfs/dbraw/zinc/66/01/85/532660185.db2.gz BHXUFIHLUPINES-AWEZNQCLSA-N 0 0 381.479 2.358 20 5 GEBDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599459122 532660433 /nfs/dbraw/zinc/66/04/33/532660433.db2.gz DFQLIUPQGGVGLQ-YDEXJTGXSA-N 0 0 393.259 2.448 20 5 GEBDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599459121 532660833 /nfs/dbraw/zinc/66/08/33/532660833.db2.gz DFQLIUPQGGVGLQ-VXFNFUGZSA-N 0 0 393.259 2.448 20 5 GEBDRN CCn1cc(S(=O)(=O)N[C@H]2CCOc3c(Cl)cccc32)c([N+](=O)[O-])n1 ZINC000533175010 532662629 /nfs/dbraw/zinc/66/26/29/532662629.db2.gz VXKSOXKDNLTIIR-NSHDSACASA-N 0 0 386.817 2.267 20 5 GEBDRN C[C@@H]1C[C@H](CO)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599509389 532663256 /nfs/dbraw/zinc/66/32/56/532663256.db2.gz GALHEESCNYACSK-NXEZZACHSA-N 0 0 393.259 2.139 20 5 GEBDRN Cc1nn(C)c(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1[N+](=O)[O-] ZINC000377612909 532663340 /nfs/dbraw/zinc/66/33/40/532663340.db2.gz AZLIBKRPZDHAFI-UHFFFAOYSA-N 0 0 397.233 2.073 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(C(F)(F)F)c1 ZINC000599515109 532664099 /nfs/dbraw/zinc/66/40/99/532664099.db2.gz NLWHYYJGXNZSLV-RLCGTCKNSA-N 0 0 380.344 2.148 20 5 GEBDRN COC[C@]1(C)CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000599523742 532664883 /nfs/dbraw/zinc/66/48/83/532664883.db2.gz DXSDGOHPIWMJQH-ZDUSSCGKSA-N 0 0 399.252 2.328 20 5 GEBDRN CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285308855 532668624 /nfs/dbraw/zinc/66/86/24/532668624.db2.gz VLXIYMCNHZPDKJ-UHFFFAOYSA-N 0 0 379.841 2.350 20 5 GEBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](CN2CCCC2=O)C1 ZINC000598401368 532647810 /nfs/dbraw/zinc/64/78/10/532647810.db2.gz FWAOYRIEVFPPHW-LLVKDONJSA-N 0 0 396.241 2.442 20 5 GEBDRN 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GEBDRN CC(=O)N1CCC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000867921238 654007370 /nfs/dbraw/zinc/00/73/70/654007370.db2.gz HSXAUDRIXJCVDG-ZDUSSCGKSA-N 0 0 398.257 2.275 20 5 GEBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCc3cc(Cl)nnc3C2)c1 ZINC000827832951 654010178 /nfs/dbraw/zinc/01/01/78/654010178.db2.gz PIKIZUQYPFAPSU-UHFFFAOYSA-N 0 0 382.829 2.402 20 5 GEBDRN Cc1nc[nH]c1CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796881727 654011241 /nfs/dbraw/zinc/01/12/41/654011241.db2.gz RGWNBAMXBYNIOW-UHFFFAOYSA-N 0 0 382.218 2.141 20 5 GEBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCO[C@]2(CCSC2)C1 ZINC000827852253 654011263 /nfs/dbraw/zinc/01/12/63/654011263.db2.gz UMUXAMOMVTYQTB-CYBMUJFWSA-N 0 0 396.849 2.284 20 5 GEBDRN COCC1(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000827890730 654012083 /nfs/dbraw/zinc/01/20/83/654012083.db2.gz ZCIGJERMDPSXOG-UHFFFAOYSA-N 0 0 393.259 2.452 20 5 GEBDRN Cn1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(Br)n1 ZINC000849336101 654014170 /nfs/dbraw/zinc/01/41/70/654014170.db2.gz MWCHLDDXASDDKG-UHFFFAOYSA-N 0 0 389.231 2.075 20 5 GEBDRN CN(CC(=O)N1CC[C@@]2(CCOC2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000797133710 654019367 /nfs/dbraw/zinc/01/93/67/654019367.db2.gz WKDLEGKZIOVNQY-MRXNPFEDSA-N 0 0 398.257 2.433 20 5 GEBDRN CC[C@H](C)C[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000828076322 654020996 /nfs/dbraw/zinc/02/09/96/654020996.db2.gz VKMIGPYEZXLQEI-ONGXEEELSA-N 0 0 395.275 2.433 20 5 GEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(CCOCCO)C1CCC1 ZINC000849406524 654025216 /nfs/dbraw/zinc/02/52/16/654025216.db2.gz JSOAJENMJSZFCE-UHFFFAOYSA-N 0 0 392.861 2.109 20 5 GEBDRN CC1(C)C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CO1 ZINC000849412994 654026836 /nfs/dbraw/zinc/02/68/36/654026836.db2.gz COEWXOXPTCAXFN-QMMMGPOBSA-N 0 0 379.232 2.203 20 5 GEBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CO)C1CCC1 ZINC000849421842 654030549 /nfs/dbraw/zinc/03/05/49/654030549.db2.gz YWDGROYGKZTINL-NSHDSACASA-N 0 0 393.259 2.105 20 5 GEBDRN Cc1c(Br)c(N2CC[C@@H](CN3CCOC3=O)C2)ncc1[N+](=O)[O-] ZINC000828273609 654031372 /nfs/dbraw/zinc/03/13/72/654031372.db2.gz ONNSPUOKSYFXJA-SNVBAGLBSA-N 0 0 385.218 2.339 20 5 GEBDRN O=c1c(Br)cc([N+](=O)[O-])cn1C[C@@H](O)CCOCc1ccccc1 ZINC000899887431 654035865 /nfs/dbraw/zinc/03/58/65/654035865.db2.gz SZHAZEJACIHCAM-AWEZNQCLSA-N 0 0 397.225 2.487 20 5 GEBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC3(CCC3)C2)c(Br)c1 ZINC000849447625 654037715 /nfs/dbraw/zinc/03/77/15/654037715.db2.gz LMKDVYGPUGMMLH-VIFPVBQESA-N 0 0 391.243 2.347 20 5 GEBDRN Cc1c(NC(=O)N2CC(=O)N(C)C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000797683045 654038077 /nfs/dbraw/zinc/03/80/77/654038077.db2.gz CXTBWBNRZRNZPZ-MRVPVSSYSA-N 0 0 385.218 2.360 20 5 GEBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1C ZINC000849458559 654040289 /nfs/dbraw/zinc/04/02/89/654040289.db2.gz LGUZTTCTLOJNAO-KGLIPLIRSA-N 0 0 376.381 2.304 20 5 GEBDRN Cc1cc(C)c(S(=O)(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1[N+](=O)[O-] ZINC000849459806 654040565 /nfs/dbraw/zinc/04/05/65/654040565.db2.gz WEMSNRQTXLIYEE-KGLIPLIRSA-N 0 0 376.381 2.304 20 5 GEBDRN C[C@@]12COC[C@@H]1CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C2 ZINC000849465148 654042062 /nfs/dbraw/zinc/04/20/62/654042062.db2.gz LQFAWJBDTWGXDZ-TVQRCGJNSA-N 0 0 391.243 2.014 20 5 GEBDRN C[C@@]12COC[C@H]1CN(S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000849465849 654042429 /nfs/dbraw/zinc/04/24/29/654042429.db2.gz UZUCCDIZPWJEEF-NOZJJQNGSA-N 0 0 391.243 2.014 20 5 GEBDRN CC[C@H]1[C@@H](CO)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000828582540 654043043 /nfs/dbraw/zinc/04/30/43/654043043.db2.gz CWFIOIUXDRRQAN-KOLCDFICSA-N 0 0 382.360 2.486 20 5 GEBDRN CC[C@@H]1[C@@H](CO)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000828582541 654043140 /nfs/dbraw/zinc/04/31/40/654043140.db2.gz CWFIOIUXDRRQAN-MWLCHTKSSA-N 0 0 382.360 2.486 20 5 GEBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](CO)CC2CC2)ccc1Br ZINC000849468903 654043581 /nfs/dbraw/zinc/04/35/81/654043581.db2.gz JLKOTRXNNOIPQK-JTQLQIEISA-N 0 0 393.259 2.044 20 5 GEBDRN O=C(NC[C@H](O)c1cccc(F)c1)c1cc([N+](=O)[O-])ncc1Br ZINC000798166064 654052377 /nfs/dbraw/zinc/05/23/77/654052377.db2.gz OSFUROXXTSGQPF-LBPRGKRZSA-N 0 0 384.161 2.355 20 5 GEBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)C(=O)N1CCCC[C@@H]1C ZINC000798167030 654052516 /nfs/dbraw/zinc/05/25/16/654052516.db2.gz IJJKAMQOWBKURN-VHSXEESVSA-N 0 0 399.245 2.272 20 5 GEBDRN O=C(CCNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CCCCCC1 ZINC000798167865 654052526 /nfs/dbraw/zinc/05/25/26/654052526.db2.gz WOJFLFWWHACPSI-UHFFFAOYSA-N 0 0 399.245 2.275 20 5 GEBDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798224251 654054550 /nfs/dbraw/zinc/05/45/50/654054550.db2.gz IVQYHKPRYPGWJJ-VIFPVBQESA-N 0 0 394.808 2.351 20 5 GEBDRN C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000868857784 654059102 /nfs/dbraw/zinc/05/91/02/654059102.db2.gz CCFJFZIZKUJJSA-KGFZYKRKSA-N 0 0 385.136 2.328 20 5 GEBDRN COc1cc(OS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)ccc1[N+](=O)[O-] ZINC000798457472 654063930 /nfs/dbraw/zinc/06/39/30/654063930.db2.gz ORBWIVVGLJTHGF-UHFFFAOYSA-N 0 0 386.769 2.123 20 5 GEBDRN CN1CCn2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2C1 ZINC000829446268 654067217 /nfs/dbraw/zinc/06/72/17/654067217.db2.gz NSGVDGKSIQQSEO-UHFFFAOYSA-N 0 0 380.202 2.252 20 5 GEBDRN C[C@@H](CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)S(C)(=O)=O ZINC000829531028 654069939 /nfs/dbraw/zinc/06/99/39/654069939.db2.gz HVPGDIYUBWCHNZ-VIFPVBQESA-N 0 0 377.260 2.149 20 5 GEBDRN COCCN(C)Cc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595826 654071743 /nfs/dbraw/zinc/07/17/43/654071743.db2.gz QRRBHQUWWNAYCV-UHFFFAOYSA-N 0 0 384.234 2.075 20 5 GEBDRN CC[C@@H](C)[C@H](NC(=O)COc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000829572204 654072845 /nfs/dbraw/zinc/07/28/45/654072845.db2.gz GLXNCLOBESSHFC-CLAHSXSESA-N 0 0 376.768 2.470 20 5 GEBDRN COCCN(C)Cc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640945 654073983 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O=C(N[C@@H]1CCc2ncc(Br)n2C1)c1ccc([N+](=O)[O-])cc1F ZINC000900931101 654096187 /nfs/dbraw/zinc/09/61/87/654096187.db2.gz HUXGWZCXNWRVLA-MRVPVSSYSA-N 0 0 383.177 2.438 20 5 GEBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@H](CCF)C1 ZINC000869453635 654097891 /nfs/dbraw/zinc/09/78/91/654097891.db2.gz QYLFGFBFBXFHES-LLVKDONJSA-N 0 0 375.194 2.487 20 5 GEBDRN CO[C@H](C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000850764444 654105072 /nfs/dbraw/zinc/10/50/72/654105072.db2.gz NVQSZNVRNHAFGA-ZDUSSCGKSA-N 0 0 376.818 2.210 20 5 GEBDRN CS(=O)(=O)C1(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000799708835 654107960 /nfs/dbraw/zinc/10/79/60/654107960.db2.gz KNSSGYCEWCKMJB-UHFFFAOYSA-N 0 0 378.200 2.091 20 5 GEBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(C)CCOC1 ZINC000799771377 654110782 /nfs/dbraw/zinc/11/07/82/654110782.db2.gz FXUIYLQSMGNLOX-CYBMUJFWSA-N 0 0 393.259 2.371 20 5 GEBDRN COC(=O)[C@@H]1[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1(F)F ZINC000918216816 654145874 /nfs/dbraw/zinc/14/58/74/654145874.db2.gz OSWSIUQMOOBIPR-WKEGUHRASA-N 0 0 393.140 2.141 20 5 GEBDRN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000800511026 654147668 /nfs/dbraw/zinc/14/76/68/654147668.db2.gz YNWDFDQTSHLKEC-SKDRFNHKSA-N 0 0 390.849 2.088 20 5 GEBDRN CN(CCOc1ccc(Br)cc1)C(=O)Cn1ccnc1[N+](=O)[O-] ZINC000918343955 654148755 /nfs/dbraw/zinc/14/87/55/654148755.db2.gz XERQNTBMXPRLHB-UHFFFAOYSA-N 0 0 383.202 2.091 20 5 GEBDRN C[C@@H](CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[S@@](C)=O ZINC000830898028 654149034 /nfs/dbraw/zinc/14/90/34/654149034.db2.gz UMHRNQPVAKSOAS-MWAODPMSSA-N 0 0 389.282 2.337 20 5 GEBDRN O=C(OC[C@H]1CCc2nnnn2CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000851422495 654150602 /nfs/dbraw/zinc/15/06/02/654150602.db2.gz AUKSFUPCDSPVRO-VIFPVBQESA-N 0 0 396.201 2.153 20 5 GEBDRN CN(C)C(=O)CN(CC(F)(F)F)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000918647700 654157092 /nfs/dbraw/zinc/15/70/92/654157092.db2.gz IGYJFBJKIDJKIE-UHFFFAOYSA-N 0 0 379.360 2.166 20 5 GEBDRN CC[C@@H](NC(C)=O)C(=O)Oc1cc([N+](=O)[O-])ccc1I ZINC000870304718 654160601 /nfs/dbraw/zinc/16/06/01/654160601.db2.gz DECBXENHWJQKCD-SNVBAGLBSA-N 0 0 392.149 2.020 20 5 GEBDRN Cc1nn(C)c(C(=O)Nc2cc3c(cc2Br)OCCO3)c1[N+](=O)[O-] ZINC000918753227 654161452 /nfs/dbraw/zinc/16/14/52/654161452.db2.gz VFPXKTJFTAUULT-UHFFFAOYSA-N 0 0 397.185 2.423 20 5 GEBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCn3ccnc3C2)c1Cl ZINC000831157965 654167892 /nfs/dbraw/zinc/16/78/92/654167892.db2.gz AFVYDLLEWLFRJR-QMMMGPOBSA-N 0 0 391.236 2.391 20 5 GEBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CC=C(Cl)Cl)CC1 ZINC000851715517 654171796 /nfs/dbraw/zinc/17/17/96/654171796.db2.gz XABSKDISMZCQHJ-UHFFFAOYSA-N 0 0 380.253 2.220 20 5 GEBDRN COC1(CO)CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000831299118 654177438 /nfs/dbraw/zinc/17/74/38/654177438.db2.gz JQYKDUGQJCSOMM-UHFFFAOYSA-N 0 0 399.252 2.064 20 5 GEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cn1cc(Br)cn1 ZINC000919478597 654181244 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