smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C[N@H+]1CCCC12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164684238 719705657 /nfs/dbraw/zinc/70/56/57/719705657.db2.gz NTMQBPQCWHCTAL-UHFFFAOYSA-N 1 1 384.440 1.719 20 5 GDBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164737122 720681680 /nfs/dbraw/zinc/68/16/80/720681680.db2.gz DNDFCWSSTOFIQW-CABCVRRESA-N 1 1 393.407 1.670 20 5 GDBDMO COc1cc(C)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164741989 720684072 /nfs/dbraw/zinc/68/40/72/720684072.db2.gz VCIZTXQREQZPCD-ZIAGYGMSSA-N 1 1 386.412 1.439 20 5 GDBDMO COc1cc(C)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164741988 720685636 /nfs/dbraw/zinc/68/56/36/720685636.db2.gz VCIZTXQREQZPCD-UONOGXRCSA-N 1 1 386.412 1.439 20 5 GDBDMO COc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164871377 721041828 /nfs/dbraw/zinc/04/18/28/721041828.db2.gz YKBWYFVVDNUDDA-HUUCEWRRSA-N 1 1 386.412 1.268 20 5 GDBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884483 721405848 /nfs/dbraw/zinc/40/58/48/721405848.db2.gz DIUGVAAKFXWIJC-QFBILLFUSA-N 1 1 390.488 1.459 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000161715905 530562667 /nfs/dbraw/zinc/56/26/67/530562667.db2.gz DALKTWYCLRUFPB-CYBMUJFWSA-N 1 1 391.877 1.763 20 5 GDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000066580203 530763818 /nfs/dbraw/zinc/76/38/18/530763818.db2.gz YSXYFBIRBGNPIK-SNVBAGLBSA-N 1 1 392.275 1.977 20 5 GDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000104747808 530840025 /nfs/dbraw/zinc/84/00/25/530840025.db2.gz PWGNDWASRWIGPG-JTQLQIEISA-N 1 1 392.275 1.930 20 5 GDBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000112362204 530881293 /nfs/dbraw/zinc/88/12/93/530881293.db2.gz HZNIVGIDQRGHPB-UHFFFAOYSA-N 1 1 378.882 1.362 20 5 GDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[NH+]3CCC2CC3)ccc1Br ZINC000191091652 530943940 /nfs/dbraw/zinc/94/39/40/530943940.db2.gz JTVYUJOHOYXJCR-UHFFFAOYSA-N 1 1 390.259 1.826 20 5 GDBDMO Cc1sc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000123194594 530980600 /nfs/dbraw/zinc/98/06/00/530980600.db2.gz REHRQNXDDKCLGR-UHFFFAOYSA-N 1 1 389.499 1.698 20 5 GDBDMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000290754017 531253613 /nfs/dbraw/zinc/25/36/13/531253613.db2.gz JVFFYQUJLCOXRL-SECBINFHSA-N 1 1 385.218 1.364 20 5 GDBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC000278458490 531362355 /nfs/dbraw/zinc/36/23/55/531362355.db2.gz XHZFYOBRCIOUJM-AOOOYVTPSA-N 1 1 390.259 1.539 20 5 GDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000444167638 531395743 /nfs/dbraw/zinc/39/57/43/531395743.db2.gz MERWFJKRVOFGQI-UHFFFAOYSA-N 1 1 380.264 1.976 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363371022 531483254 /nfs/dbraw/zinc/48/32/54/531483254.db2.gz WPDQNUDTFMARSO-NEPJUHHUSA-N 1 1 375.834 1.390 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363371022 531483256 /nfs/dbraw/zinc/48/32/56/531483256.db2.gz WPDQNUDTFMARSO-NEPJUHHUSA-N 1 1 375.834 1.390 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363371076 531483555 /nfs/dbraw/zinc/48/35/55/531483555.db2.gz XUOOZSWQULKPKN-NEPJUHHUSA-N 1 1 375.834 1.390 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363371076 531483559 /nfs/dbraw/zinc/48/35/59/531483559.db2.gz XUOOZSWQULKPKN-NEPJUHHUSA-N 1 1 375.834 1.390 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1 ZINC000295331685 531561571 /nfs/dbraw/zinc/56/15/71/531561571.db2.gz QFMQOADXDKJIOW-LLVKDONJSA-N 1 1 377.850 1.373 20 5 GDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)c1cccc(Br)c1 ZINC000298526569 531898900 /nfs/dbraw/zinc/89/89/00/531898900.db2.gz WDJGJIBILFUMGZ-CABCVRRESA-N 1 1 399.245 1.580 20 5 GDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600234922 532045281 /nfs/dbraw/zinc/04/52/81/532045281.db2.gz YHERFGAPIJLQAH-LBPRGKRZSA-N 1 1 399.245 1.427 20 5 GDBDMO Cc1cc(Br)c(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000273158325 532137551 /nfs/dbraw/zinc/13/75/51/532137551.db2.gz STIJVKRUHOPBOU-UHFFFAOYSA-N 1 1 399.245 1.815 20 5 GDBDMO [NH3+]Cc1nc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cs1 ZINC000429679269 532231582 /nfs/dbraw/zinc/23/15/82/532231582.db2.gz FGBNUVWGOIMLPZ-UHFFFAOYSA-N 1 1 381.439 1.170 20 5 GDBDMO COCCN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289263156 532320133 /nfs/dbraw/zinc/32/01/33/532320133.db2.gz AKLUSLNTXDXFPG-VIFPVBQESA-N 1 1 381.813 1.386 20 5 GDBDMO NC(=O)[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000737737958 599088037 /nfs/dbraw/zinc/08/80/37/599088037.db2.gz SPTNRBODWDCFKP-HNNXBMFYSA-N 1 1 382.384 1.003 20 5 GDBDMO O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000826498805 607450899 /nfs/dbraw/zinc/45/08/99/607450899.db2.gz KICFNUFLUSPGGP-MRXNPFEDSA-N 1 1 395.423 1.606 20 5 GDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000823647242 606186547 /nfs/dbraw/zinc/18/65/47/606186547.db2.gz IRJILXVSFBVHRE-UHFFFAOYSA-N 1 1 383.416 1.184 20 5 GDBDMO Cc1c(Br)c(NCCC[N@H+]2CCC[C@@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000542505645 650406702 /nfs/dbraw/zinc/40/67/02/650406702.db2.gz KJYOUBSRYUZCSM-SNVBAGLBSA-N 1 1 386.250 1.812 20 5 GDBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000553149169 650638915 /nfs/dbraw/zinc/63/89/15/650638915.db2.gz YWXNYBYYEZRGGD-MRVPVSSYSA-N 1 1 378.443 1.689 20 5 GDBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000038039775 644321288 /nfs/dbraw/zinc/32/12/88/644321288.db2.gz DJJBTMFUZSAMIR-VIFPVBQESA-N 1 1 378.248 1.587 20 5 GDBDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000129563674 644735521 /nfs/dbraw/zinc/73/55/21/644735521.db2.gz OYGFZPXJKHHNRL-LBPRGKRZSA-N 1 1 391.877 1.946 20 5 GDBDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000129563674 644735523 /nfs/dbraw/zinc/73/55/23/644735523.db2.gz OYGFZPXJKHHNRL-LBPRGKRZSA-N 1 1 391.877 1.946 20 5 GDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000173130044 644888313 /nfs/dbraw/zinc/88/83/13/644888313.db2.gz CZPWEGGNWNTSPW-JTQLQIEISA-N 1 1 392.275 1.977 20 5 GDBDMO CC[N@@H+](CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)CCC(F)(F)F ZINC000491584790 647995860 /nfs/dbraw/zinc/99/58/60/647995860.db2.gz XIDCPXMLPVHWKE-UHFFFAOYSA-N 1 1 384.380 1.928 20 5 GDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000507362124 648241965 /nfs/dbraw/zinc/24/19/65/648241965.db2.gz UHBCXSIXYSUHQF-JTQLQIEISA-N 1 1 399.245 1.848 20 5 GDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000507362124 648241969 /nfs/dbraw/zinc/24/19/69/648241969.db2.gz UHBCXSIXYSUHQF-JTQLQIEISA-N 1 1 399.245 1.848 20 5 GDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000609516989 652847262 /nfs/dbraw/zinc/84/72/62/652847262.db2.gz BFTRGPCARJXBBO-GFCCVEGCSA-N 1 1 394.273 1.985 20 5 GDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000745942803 654752098 /nfs/dbraw/zinc/75/20/98/654752098.db2.gz SJAAHWASNRVQGH-SNVBAGLBSA-N 1 1 392.275 1.977 20 5 GDBDMO CN(CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803241993 654970184 /nfs/dbraw/zinc/97/01/84/654970184.db2.gz HWRRWRRXQQAPHF-TXEJJXNPSA-N 1 1 397.273 1.814 20 5 GDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)c1 ZINC000808334281 655106865 /nfs/dbraw/zinc/10/68/65/655106865.db2.gz IFUGOZCLBSWYIF-UHFFFAOYSA-N 1 1 392.909 1.718 20 5 GDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCCN(C)CC[NH+](C)C)c1 ZINC000808334281 655106868 /nfs/dbraw/zinc/10/68/68/655106868.db2.gz IFUGOZCLBSWYIF-UHFFFAOYSA-N 1 1 392.909 1.718 20 5 GDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000762715378 655174988 /nfs/dbraw/zinc/17/49/88/655174988.db2.gz FCEMJLJJFMDJDH-ZDUSSCGKSA-N 1 1 376.182 1.293 20 5 GDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000813741838 655244855 /nfs/dbraw/zinc/24/48/55/655244855.db2.gz VHVODUBQFQOCIW-ZANVPECISA-N 1 1 390.259 1.682 20 5 GDBDMO CN(Cc1cccc([N+](=O)[O-])c1Br)C[C@@H](O)C[NH+]1CCOCC1 ZINC000839501053 655249474 /nfs/dbraw/zinc/24/94/74/655249474.db2.gz ANFVOYFUVCJPNO-CYBMUJFWSA-N 1 1 388.262 1.482 20 5 GDBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000867832467 656123013 /nfs/dbraw/zinc/12/30/13/656123013.db2.gz IUSMIGMYNLMUAQ-UHFFFAOYSA-N 1 1 394.229 1.972 20 5 GDBDMO C[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000881864715 656975665 /nfs/dbraw/zinc/97/56/65/656975665.db2.gz YSYWUWRAQCHIOH-LLVKDONJSA-N 1 1 385.262 1.609 20 5 GDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000885882879 657582909 /nfs/dbraw/zinc/58/29/09/657582909.db2.gz LTGPGBLHQASZDR-LLVKDONJSA-N 1 1 399.245 1.735 20 5 GDBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164738169 720721238 /nfs/dbraw/zinc/72/12/38/720721238.db2.gz DWSBFNCNIBMBRK-QWHCGFSZSA-N 1 1 381.396 1.603 20 5 GDBDMO Nc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747330 720833905 /nfs/dbraw/zinc/83/39/05/720833905.db2.gz QEIUZFYJEDMXKJ-YQQAZPJKSA-N 1 1 398.471 1.543 20 5 GDBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164773915 721141309 /nfs/dbraw/zinc/14/13/09/721141309.db2.gz ZDJYCHXWELOBDM-KGLIPLIRSA-N 1 1 392.847 1.573 20 5 GDBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4N)C3)O2)CC1 ZINC001164892306 721431606 /nfs/dbraw/zinc/43/16/06/721431606.db2.gz IBYWMZBFZGUIRE-QFBILLFUSA-N 1 1 390.488 1.337 20 5 GDBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)[C@H]2CCCO[C@H]12 ZINC001164805404 721561682 /nfs/dbraw/zinc/56/16/82/721561682.db2.gz NNTLGQRNSGYQKO-WDYCEAGBSA-N 1 1 384.440 1.835 20 5 GDBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)[C@H]2CCCO[C@H]12 ZINC001164805404 721561687 /nfs/dbraw/zinc/56/16/87/721561687.db2.gz NNTLGQRNSGYQKO-WDYCEAGBSA-N 1 1 384.440 1.835 20 5 GDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164927820 721870787 /nfs/dbraw/zinc/87/07/87/721870787.db2.gz WHNJWBVRADIYSV-JKSUJKDBSA-N 1 1 377.445 1.381 20 5 GDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164927820 721870790 /nfs/dbraw/zinc/87/07/90/721870790.db2.gz WHNJWBVRADIYSV-JKSUJKDBSA-N 1 1 377.445 1.381 20 5 GDBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000161718015 530563314 /nfs/dbraw/zinc/56/33/14/530563314.db2.gz LTFLBZXZDBETPJ-LBPRGKRZSA-N 1 1 375.422 1.249 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000186438846 530856179 /nfs/dbraw/zinc/85/61/79/530856179.db2.gz OJERLHXUGWEVBM-LLVKDONJSA-N 1 1 375.422 1.753 20 5 GDBDMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000129362564 531050012 /nfs/dbraw/zinc/05/00/12/531050012.db2.gz LTBGVSQLQOVZKD-UHFFFAOYSA-N 1 1 399.289 1.953 20 5 GDBDMO CN(C)C(=O)C[N@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000129362564 531050013 /nfs/dbraw/zinc/05/00/13/531050013.db2.gz LTBGVSQLQOVZKD-UHFFFAOYSA-N 1 1 399.289 1.953 20 5 GDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000151636034 531141162 /nfs/dbraw/zinc/14/11/62/531141162.db2.gz XKFNPOICLLRXAS-LBPRGKRZSA-N 1 1 398.261 1.495 20 5 GDBDMO CN(C)S(=O)(=O)NCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000291330881 531286321 /nfs/dbraw/zinc/28/63/21/531286321.db2.gz AIJVDCHCRAOYQG-UHFFFAOYSA-N 1 1 385.471 1.204 20 5 GDBDMO COCC[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267926923 531462280 /nfs/dbraw/zinc/46/22/80/531462280.db2.gz KJANMJSZRMSTBD-UHFFFAOYSA-N 1 1 378.198 1.804 20 5 GDBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000590551491 531688909 /nfs/dbraw/zinc/68/89/09/531688909.db2.gz YKUYPPWQVDOUIC-DGCLKSJQSA-N 1 1 398.257 1.947 20 5 GDBDMO COc1ccc(CSCC(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000368010261 531884059 /nfs/dbraw/zinc/88/40/59/531884059.db2.gz ZRTLUNYCBPGLOJ-LBPRGKRZSA-N 1 1 375.397 1.902 20 5 GDBDMO CCCNC(=O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289716651 532331230 /nfs/dbraw/zinc/33/12/30/532331230.db2.gz CQLRGSZOVLTTQR-UHFFFAOYSA-N 1 1 377.182 1.815 20 5 GDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)nc1 ZINC000823640220 599640088 /nfs/dbraw/zinc/64/00/88/599640088.db2.gz XZFPUWZSNCNUTM-ZDUSSCGKSA-N 1 1 384.375 1.995 20 5 GDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000826499297 607531266 /nfs/dbraw/zinc/53/12/66/607531266.db2.gz 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O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000823630259 946458417 /nfs/dbraw/zinc/45/84/17/946458417.db2.gz UQRADKUXDOROCH-INIZCTEOSA-N 1 1 396.407 1.573 20 5 GDBDMO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826158871 947501471 /nfs/dbraw/zinc/50/14/71/947501471.db2.gz GOAPNQHFFCBPMJ-SFHVURJKSA-N 1 1 398.423 1.957 20 5 GDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000826498408 948414159 /nfs/dbraw/zinc/41/41/59/948414159.db2.gz SWHJTSZAJSUPRD-MRXNPFEDSA-N 1 1 396.411 1.026 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000161716037 530563359 /nfs/dbraw/zinc/56/33/59/530563359.db2.gz DALKTWYCLRUFPB-ZDUSSCGKSA-N 1 1 391.877 1.763 20 5 GDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000121558809 530957809 /nfs/dbraw/zinc/95/78/09/530957809.db2.gz CFGLROJOZJDVOS-GFCCVEGCSA-N 1 1 386.246 1.886 20 5 GDBDMO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[NH+]2CCC1CC2 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C[C@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000551495129 650607729 /nfs/dbraw/zinc/60/77/29/650607729.db2.gz DNODMHIGHUEFMW-SECBINFHSA-N 1 1 399.245 1.895 20 5 GDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000566672890 650862646 /nfs/dbraw/zinc/86/26/46/650862646.db2.gz LFVKNEGBKZNLLF-CYBMUJFWSA-N 1 1 394.229 1.878 20 5 GDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000120466923 644671140 /nfs/dbraw/zinc/67/11/40/644671140.db2.gz ZVCNBLMEAVCVSC-SNVBAGLBSA-N 1 1 392.275 1.977 20 5 GDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452388111 647322244 /nfs/dbraw/zinc/32/22/44/647322244.db2.gz IUKAUZDWXDRKBW-CYBMUJFWSA-N 1 1 386.246 1.934 20 5 GDBDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000810400107 655158894 /nfs/dbraw/zinc/15/88/94/655158894.db2.gz CXYNHHCJYLHIGR-ZJUUUORDSA-N 1 1 399.245 1.847 20 5 GDBDMO 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YDWDRWHSHJAJBD-GFCCVEGCSA-N 1 1 377.850 1.373 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295439105 531579788 /nfs/dbraw/zinc/57/97/88/531579788.db2.gz YDWDRWHSHJAJBD-GFCCVEGCSA-N 1 1 377.850 1.373 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416507472 531654671 /nfs/dbraw/zinc/65/46/71/531654671.db2.gz NWAOJWXXBKXKIQ-UHFFFAOYSA-N 1 1 375.422 1.895 20 5 GDBDMO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589268685 531670979 /nfs/dbraw/zinc/67/09/79/531670979.db2.gz CPDARZNYVPSJSH-VIFPVBQESA-N 1 1 389.193 1.897 20 5 GDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589268685 531670989 /nfs/dbraw/zinc/67/09/89/531670989.db2.gz CPDARZNYVPSJSH-VIFPVBQESA-N 1 1 389.193 1.897 20 5 GDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452356468 531772630 /nfs/dbraw/zinc/77/26/30/531772630.db2.gz CSXDXAHNEBAZRR-GFCCVEGCSA-N 1 1 386.246 1.934 20 5 GDBDMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289532988 532327138 /nfs/dbraw/zinc/32/71/38/532327138.db2.gz OSNQKIJFZMYAIL-QMMMGPOBSA-N 1 1 398.222 1.722 20 5 GDBDMO CNC(=O)CC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290046176 532336070 /nfs/dbraw/zinc/33/60/70/532336070.db2.gz RIQMNACPLQPZSW-UHFFFAOYSA-N 1 1 377.182 1.767 20 5 GDBDMO C[C@H](O)C[N@H+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000820480356 599530967 /nfs/dbraw/zinc/53/09/67/599530967.db2.gz KFQDFYCVVDCJFM-RYUDHWBXSA-N 1 1 398.427 1.214 20 5 GDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169895 599567434 /nfs/dbraw/zinc/56/74/34/599567434.db2.gz HVYJVNKRJDKSFZ-MLGOLLRUSA-N 1 1 386.416 1.415 20 5 GDBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000918747465 660240556 /nfs/dbraw/zinc/24/05/56/660240556.db2.gz WSGXZXXPADBTGI-VIFPVBQESA-N 1 1 378.248 1.730 20 5 GDBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 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/nfs/dbraw/zinc/56/77/04/652567704.db2.gz OPYBDNBWGMGFJY-CYBMUJFWSA-N 1 1 389.499 1.840 20 5 GDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000777815049 654724228 /nfs/dbraw/zinc/72/42/28/654724228.db2.gz WOKIQCPRFBVIHS-UHFFFAOYSA-N 1 1 390.259 1.898 20 5 GDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc([N+](=O)[O-])c1F ZINC000831805401 654998249 /nfs/dbraw/zinc/99/82/49/654998249.db2.gz WMFPYZPFZYDQEM-LBPRGKRZSA-N 1 1 375.422 1.167 20 5 GDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc([N+](=O)[O-])c1F ZINC000831805401 654998252 /nfs/dbraw/zinc/99/82/52/654998252.db2.gz WMFPYZPFZYDQEM-LBPRGKRZSA-N 1 1 375.422 1.167 20 5 GDBDMO C[N@@H+]1CC[C@@](O)(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000762816168 655177649 /nfs/dbraw/zinc/17/76/49/655177649.db2.gz NAYDUYGGHIENCM-GFCCVEGCSA-N 1 1 383.348 1.367 20 5 GDBDMO C[N@H+]1CC[C@@](O)(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000762816168 655177651 /nfs/dbraw/zinc/17/76/51/655177651.db2.gz NAYDUYGGHIENCM-GFCCVEGCSA-N 1 1 383.348 1.367 20 5 GDBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000798173972 655255806 /nfs/dbraw/zinc/25/58/06/655255806.db2.gz LTBPALVIROUJTB-UHFFFAOYSA-N 1 1 399.245 1.689 20 5 GDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000827419802 655510861 /nfs/dbraw/zinc/51/08/61/655510861.db2.gz GGKOIMRPAAPGBT-JTQLQIEISA-N 1 1 387.234 1.281 20 5 GDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCn3cnc(Br)n3)C2)nc1 ZINC000851844078 655599140 /nfs/dbraw/zinc/59/91/40/655599140.db2.gz RGHQXYVQNLJEIL-SNVBAGLBSA-N 1 1 382.222 1.530 20 5 GDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCn3cnc(Br)n3)C2)nc1 ZINC000851844078 655599142 /nfs/dbraw/zinc/59/91/42/655599142.db2.gz RGHQXYVQNLJEIL-SNVBAGLBSA-N 1 1 382.222 1.530 20 5 GDBDMO COCCC[N@@H+](C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866074906 655934172 /nfs/dbraw/zinc/93/41/72/655934172.db2.gz IXHJWJGISLOJOU-UHFFFAOYSA-N 1 1 388.262 1.984 20 5 GDBDMO C[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000866799383 655964912 /nfs/dbraw/zinc/96/49/12/655964912.db2.gz HQNQFFMJBKIGAU-QMTHXVAHSA-N 1 1 386.246 1.735 20 5 GDBDMO C[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000866799383 655964913 /nfs/dbraw/zinc/96/49/13/655964913.db2.gz HQNQFFMJBKIGAU-QMTHXVAHSA-N 1 1 386.246 1.735 20 5 GDBDMO CCOc1nc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC001164685453 719731862 /nfs/dbraw/zinc/73/18/62/719731862.db2.gz LDUIKUDWKJINCI-UHFFFAOYSA-N 1 1 377.445 1.569 20 5 GDBDMO O=[N+]([O-])c1cccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164738806 720817238 /nfs/dbraw/zinc/81/72/38/720817238.db2.gz GUQCNOSWOMUSLK-BRWVUGGUSA-N 1 1 383.456 1.961 20 5 GDBDMO CCOc1nc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164853563 720866802 /nfs/dbraw/zinc/86/68/02/720866802.db2.gz HJGUKPYWEUAFAM-GOEBONIOSA-N 1 1 380.445 1.562 20 5 GDBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871038 721046341 /nfs/dbraw/zinc/04/63/41/721046341.db2.gz XZSKRQCIWUCTTP-ZIAGYGMSSA-N 1 1 390.831 1.913 20 5 GDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164780901 721438526 /nfs/dbraw/zinc/43/85/26/721438526.db2.gz CNTOALUVQWKQIK-VXGBXAGGSA-N 1 1 389.437 1.801 20 5 GDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973220 722129174 /nfs/dbraw/zinc/12/91/74/722129174.db2.gz GXQPYLBWCDHJEL-HKUYNNGSSA-N 1 1 399.451 1.659 20 5 GDBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181703472 530789157 /nfs/dbraw/zinc/78/91/57/530789157.db2.gz NYGWPAQWHCOZCI-MNOVXSKESA-N 1 1 375.422 1.816 20 5 GDBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181703472 530789161 /nfs/dbraw/zinc/78/91/61/530789161.db2.gz NYGWPAQWHCOZCI-MNOVXSKESA-N 1 1 375.422 1.816 20 5 GDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCO ZINC000188742943 530900431 /nfs/dbraw/zinc/90/04/31/530900431.db2.gz ZQZOVGMPUSOFCH-LLVKDONJSA-N 1 1 386.246 1.425 20 5 GDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1CCO ZINC000188742943 530900433 /nfs/dbraw/zinc/90/04/33/530900433.db2.gz ZQZOVGMPUSOFCH-LLVKDONJSA-N 1 1 386.246 1.425 20 5 GDBDMO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000123987110 530989881 /nfs/dbraw/zinc/98/98/81/530989881.db2.gz JSNKVZGNBZPMFQ-DTORHVGOSA-N 1 1 378.248 1.728 20 5 GDBDMO CN1CC[NH+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000151543385 531139254 /nfs/dbraw/zinc/13/92/54/531139254.db2.gz HLBUGYXAMRRHOU-UHFFFAOYSA-N 1 1 399.289 1.654 20 5 GDBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000153686973 531170621 /nfs/dbraw/zinc/17/06/21/531170621.db2.gz KMHNRINZSKAOFY-UHFFFAOYSA-N 1 1 386.246 1.886 20 5 GDBDMO COC(=O)CC1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCS(=O)(=O)CC1 ZINC000439271492 531317779 /nfs/dbraw/zinc/31/77/79/531317779.db2.gz XRYQVVUFJLKVDF-UHFFFAOYSA-N 1 1 390.845 1.848 20 5 GDBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[NH2+]1 ZINC000440415974 531338246 /nfs/dbraw/zinc/33/82/46/531338246.db2.gz TTWGUKCREWQCJJ-IUCAKERBSA-N 1 1 378.248 1.728 20 5 GDBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000278436149 531360018 /nfs/dbraw/zinc/36/00/18/531360018.db2.gz SXCPXQNPBYLHFT-AOOOYVTPSA-N 1 1 390.259 1.539 20 5 GDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000444172818 531395838 /nfs/dbraw/zinc/39/58/38/531395838.db2.gz BDPPJWLMCIDFCY-UHFFFAOYSA-N 1 1 380.264 1.976 20 5 GDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000483247652 531410304 /nfs/dbraw/zinc/41/03/04/531410304.db2.gz OJGCXEBUZMUYQD-MFKMUULPSA-N 1 1 375.212 1.782 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(Cl)c1 ZINC000451653278 531654854 /nfs/dbraw/zinc/65/48/54/531654854.db2.gz AIPQGRSWJSPHNR-LBPRGKRZSA-N 1 1 377.850 1.373 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(Cl)c1 ZINC000451653278 531654865 /nfs/dbraw/zinc/65/48/65/531654865.db2.gz AIPQGRSWJSPHNR-LBPRGKRZSA-N 1 1 377.850 1.373 20 5 GDBDMO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000596059220 531906667 /nfs/dbraw/zinc/90/66/67/531906667.db2.gz NIGYPUNLGFKPAW-UHFFFAOYSA-N 1 1 382.467 1.626 20 5 GDBDMO C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000599213451 532013115 /nfs/dbraw/zinc/01/31/15/532013115.db2.gz NCAYPJASTDHFGM-SNVBAGLBSA-N 1 1 385.471 1.115 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000420457718 532017548 /nfs/dbraw/zinc/01/75/48/532017548.db2.gz JFMAMSNKMLMEFZ-CQSZACIVSA-N 1 1 382.829 1.978 20 5 GDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(-c2nn[nH]n2)c1 ZINC000738368034 598501122 /nfs/dbraw/zinc/50/11/22/598501122.db2.gz CBIAYOKTKPQQTB-UHFFFAOYSA-N 1 1 382.384 1.198 20 5 GDBDMO CCOCC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000736623662 598672474 /nfs/dbraw/zinc/67/24/74/598672474.db2.gz KNNOCKARZXJQND-AWEZNQCLSA-N 1 1 375.433 1.712 20 5 GDBDMO C[C@@H]1COCC[N@@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820814465 599526473 /nfs/dbraw/zinc/52/64/73/599526473.db2.gz WCUJCXXIUVPPBZ-LLVKDONJSA-N 1 1 384.400 1.456 20 5 GDBDMO C[C@@H]1COCC[N@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820814465 599526474 /nfs/dbraw/zinc/52/64/74/599526474.db2.gz WCUJCXXIUVPPBZ-LLVKDONJSA-N 1 1 384.400 1.456 20 5 GDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169893 599567127 /nfs/dbraw/zinc/56/71/27/599567127.db2.gz HVYJVNKRJDKSFZ-BLLLJJGKSA-N 1 1 386.416 1.415 20 5 GDBDMO COc1cc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c([N+](=O)[O-])cc1O ZINC000826179374 607567395 /nfs/dbraw/zinc/56/73/95/607567395.db2.gz MEXMHSJQPVERNA-UHFFFAOYSA-N 1 1 386.368 1.788 20 5 GDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000825897242 607734909 /nfs/dbraw/zinc/73/49/09/607734909.db2.gz DZCHYNYMZPODCU-UHFFFAOYSA-N 1 1 375.433 1.570 20 5 GDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000054132223 644454738 /nfs/dbraw/zinc/45/47/38/644454738.db2.gz GRZVMWBABQHWIN-UHFFFAOYSA-N 1 1 380.264 1.976 20 5 GDBDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000163862788 644861397 /nfs/dbraw/zinc/86/13/97/644861397.db2.gz KKADTZXTNQWMNL-GFCCVEGCSA-N 1 1 375.422 1.431 20 5 GDBDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000163862788 644861400 /nfs/dbraw/zinc/86/14/00/644861400.db2.gz KKADTZXTNQWMNL-GFCCVEGCSA-N 1 1 375.422 1.431 20 5 GDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000600068415 652525417 /nfs/dbraw/zinc/52/54/17/652525417.db2.gz BPKUZMQGEPGKRQ-UHFFFAOYSA-N 1 1 384.230 1.950 20 5 GDBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000733367965 654508709 /nfs/dbraw/zinc/50/87/09/654508709.db2.gz OUWDXUGXAAKNGS-LBPRGKRZSA-N 1 1 389.861 1.439 20 5 GDBDMO CN(CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000834308038 655061970 /nfs/dbraw/zinc/06/19/70/655061970.db2.gz WMFFRGZMRLHSRZ-XHDPSFHLSA-N 1 1 397.273 1.956 20 5 GDBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000810126544 655151917 /nfs/dbraw/zinc/15/19/17/655151917.db2.gz ZZRUSUHXCUFAPS-JTQLQIEISA-N 1 1 396.206 1.476 20 5 GDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000810371039 655157104 /nfs/dbraw/zinc/15/71/04/655157104.db2.gz ASYJMUJBSIYEHX-SNVBAGLBSA-N 1 1 399.245 1.754 20 5 GDBDMO C[C@]12C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877668195 656686991 /nfs/dbraw/zinc/68/69/91/656686991.db2.gz GDTVGTVDYRJFMC-GASCZTMLSA-N 1 1 382.214 1.842 20 5 GDBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000907563978 659784869 /nfs/dbraw/zinc/78/48/69/659784869.db2.gz LDHVISGEYAXYQZ-OTYXRUKQSA-N 1 1 377.825 1.960 20 5 GDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])c(OC)n1)C2 ZINC001164807961 720068308 /nfs/dbraw/zinc/06/83/08/720068308.db2.gz GQNQFJZJBUPHCL-KSSFIOAISA-N 1 1 377.445 1.578 20 5 GDBDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747107 720855507 /nfs/dbraw/zinc/85/55/07/720855507.db2.gz HYCWULGHJMGDNS-GVDBMIGSSA-N 1 1 398.471 1.664 20 5 GDBDMO COc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1[N+](=O)[O-] ZINC001164997589 722232407 /nfs/dbraw/zinc/23/24/07/722232407.db2.gz RIKQOLRJPUDASG-UHFFFAOYSA-N 1 1 399.455 1.145 20 5 GDBDMO C[N@@H+](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000066576444 530764063 /nfs/dbraw/zinc/76/40/63/530764063.db2.gz UHQZOSWXOZTCGD-UHFFFAOYSA-N 1 1 378.248 1.730 20 5 GDBDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000108400054 530857651 /nfs/dbraw/zinc/85/76/51/530857651.db2.gz CCDYKYPAWNOYAE-LBPRGKRZSA-N 1 1 377.850 1.637 20 5 GDBDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000108400054 530857653 /nfs/dbraw/zinc/85/76/53/530857653.db2.gz CCDYKYPAWNOYAE-LBPRGKRZSA-N 1 1 377.850 1.637 20 5 GDBDMO COCC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000152046061 531145827 /nfs/dbraw/zinc/14/58/27/531145827.db2.gz LPFMWKRFMZNVRH-UHFFFAOYSA-N 1 1 386.246 1.690 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000152224570 531148758 /nfs/dbraw/zinc/14/87/58/531148758.db2.gz QDIYDMBYERTXTG-AWEZNQCLSA-N 1 1 391.877 1.826 20 5 GDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277341917 531274212 /nfs/dbraw/zinc/27/42/12/531274212.db2.gz SQUHMPVFLRFYJK-GFCCVEGCSA-N 1 1 399.245 1.427 20 5 GDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277341922 531274290 /nfs/dbraw/zinc/27/42/90/531274290.db2.gz SQUHMPVFLRFYJK-LBPRGKRZSA-N 1 1 399.245 1.427 20 5 GDBDMO O=C1CC[C@H]([NH+]2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)CCN1 ZINC000450895114 531518388 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COCC[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)CC[C@H]2C1 ZINC001164853770 720880697 /nfs/dbraw/zinc/88/06/97/720880697.db2.gz CSZODODJVJSFJA-DOTOQJQBSA-N 1 1 394.472 1.951 20 5 GDBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164773916 721141211 /nfs/dbraw/zinc/14/12/11/721141211.db2.gz ZDJYCHXWELOBDM-UONOGXRCSA-N 1 1 392.847 1.573 20 5 GDBDMO COC(=O)c1ccnc(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000590568923 721957301 /nfs/dbraw/zinc/95/73/01/721957301.db2.gz DENXGSQCJXXMGR-UHFFFAOYSA-N 1 1 386.408 1.977 20 5 GDBDMO Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164971163 722151808 /nfs/dbraw/zinc/15/18/08/722151808.db2.gz AXDHXKVHINMGRE-WMZOPIPTSA-N 1 1 384.440 1.816 20 5 GDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc([N+](=O)[O-])cc2F)CC3)CC1 ZINC001164996091 722232206 /nfs/dbraw/zinc/23/22/06/722232206.db2.gz DQQYPJQLECFSAZ-UHFFFAOYSA-N 1 1 387.419 1.276 20 5 GDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000823630260 946458141 /nfs/dbraw/zinc/45/81/41/946458141.db2.gz UQRADKUXDOROCH-MRXNPFEDSA-N 1 1 396.407 1.573 20 5 GDBDMO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826158870 947500523 /nfs/dbraw/zinc/50/05/23/947500523.db2.gz GOAPNQHFFCBPMJ-GOSISDBHSA-N 1 1 398.423 1.957 20 5 GDBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000161718176 530563029 /nfs/dbraw/zinc/56/30/29/530563029.db2.gz OGWFXVFPXQITEP-GFCCVEGCSA-N 1 1 391.877 1.763 20 5 GDBDMO O=[N+]([O-])c1cc(I)ccc1N1CC[NH+](CCO)CC1 ZINC000107798901 530855296 /nfs/dbraw/zinc/85/52/96/530855296.db2.gz ORFMSQDFIRHXAE-UHFFFAOYSA-N 1 1 377.182 1.314 20 5 GDBDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000119718575 530930621 /nfs/dbraw/zinc/93/06/21/530930621.db2.gz FYEMAGGPRNWNAD-UHFFFAOYSA-N 1 1 375.422 1.201 20 5 GDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000194022526 530998303 /nfs/dbraw/zinc/99/83/03/530998303.db2.gz RTPXBAKVEXOVDU-WDEREUQCSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000194022526 530998304 /nfs/dbraw/zinc/99/83/04/530998304.db2.gz RTPXBAKVEXOVDU-WDEREUQCSA-N 1 1 386.246 1.884 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000249461613 531087373 /nfs/dbraw/zinc/08/73/73/531087373.db2.gz PCCLEAMYHDOJKK-GXFFZTMASA-N 1 1 375.422 1.703 20 5 GDBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@H+](C)CCO1 ZINC000157446253 531206662 /nfs/dbraw/zinc/20/66/62/531206662.db2.gz ZTDLYSYGYYUGBE-QMTHXVAHSA-N 1 1 386.246 1.735 20 5 GDBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000157446253 531206663 /nfs/dbraw/zinc/20/66/63/531206663.db2.gz ZTDLYSYGYYUGBE-QMTHXVAHSA-N 1 1 386.246 1.735 20 5 GDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000264944352 531213888 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JREZEXFGTYBCGT-LBPRGKRZSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296150522 531660690 /nfs/dbraw/zinc/66/06/90/531660690.db2.gz JREZEXFGTYBCGT-LBPRGKRZSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000296398964 531692119 /nfs/dbraw/zinc/69/21/19/531692119.db2.gz ZKMRILMBKDJXAX-GFCCVEGCSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000296398964 531692128 /nfs/dbraw/zinc/69/21/28/531692128.db2.gz ZKMRILMBKDJXAX-GFCCVEGCSA-N 1 1 391.877 1.682 20 5 GDBDMO C[NH+]1CCC2(CC1)CN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CCO2 ZINC000591990810 531747278 /nfs/dbraw/zinc/74/72/78/531747278.db2.gz DBRRJWNZIOCPNF-UHFFFAOYSA-N 1 1 375.472 1.361 20 5 GDBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000592948777 531813462 /nfs/dbraw/zinc/81/34/62/531813462.db2.gz PDSRXEFVJDTREO-UHFFFAOYSA-N 1 1 399.245 1.251 20 5 GDBDMO CS[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000283309896 531851587 /nfs/dbraw/zinc/85/15/87/531851587.db2.gz UXHYBKJONMHURD-QWHCGFSZSA-N 1 1 387.483 1.116 20 5 GDBDMO O=[N+]([O-])c1cc(I)ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199647 532011733 /nfs/dbraw/zinc/01/17/33/532011733.db2.gz OIOREWHMIKKOFK-JTQLQIEISA-N 1 1 377.182 1.678 20 5 GDBDMO CCS(=O)(=O)CC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272363544 532093832 /nfs/dbraw/zinc/09/38/32/532093832.db2.gz FRSPDFJNBDNTJR-UHFFFAOYSA-N 1 1 382.385 1.772 20 5 GDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285723521 532107740 /nfs/dbraw/zinc/10/77/40/532107740.db2.gz KADOWBFFMWQJJK-KGLIPLIRSA-N 1 1 384.230 1.902 20 5 GDBDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000286082685 532130809 /nfs/dbraw/zinc/13/08/09/532130809.db2.gz UWEITVJFGDZUGF-JTQLQIEISA-N 1 1 387.234 1.888 20 5 GDBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000275634064 532302989 /nfs/dbraw/zinc/30/29/89/532302989.db2.gz JPCBTWDHALSHND-UHFFFAOYSA-N 1 1 396.263 1.214 20 5 GDBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000275634064 532302993 /nfs/dbraw/zinc/30/29/93/532302993.db2.gz JPCBTWDHALSHND-UHFFFAOYSA-N 1 1 396.263 1.214 20 5 GDBDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737512250 598673195 /nfs/dbraw/zinc/67/31/95/598673195.db2.gz SXKQIRUULOTIAI-UHFFFAOYSA-N 1 1 397.443 1.447 20 5 GDBDMO COCC[N@H+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000821691305 599534770 /nfs/dbraw/zinc/53/47/70/599534770.db2.gz PLPDMLNDBVNXGH-LBPRGKRZSA-N 1 1 398.427 1.480 20 5 GDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000919095440 660245978 /nfs/dbraw/zinc/24/59/78/660245978.db2.gz BQGVJBCWNXYUTH-OAHLLOKOSA-N 1 1 386.246 1.820 20 5 GDBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599939329 652519207 /nfs/dbraw/zinc/51/92/07/652519207.db2.gz HJZIJZHXAOICHY-GHMZBOCLSA-N 1 1 384.230 1.638 20 5 GDBDMO COC(=O)CC[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCOCC1 ZINC000743403830 654716393 /nfs/dbraw/zinc/71/63/93/654716393.db2.gz CSZJDJDHQWVSOP-UHFFFAOYSA-N 1 1 391.222 1.555 20 5 GDBDMO COC(=O)CC[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCOCC1 ZINC000743403830 654716395 /nfs/dbraw/zinc/71/63/95/654716395.db2.gz CSZJDJDHQWVSOP-UHFFFAOYSA-N 1 1 391.222 1.555 20 5 GDBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000780865881 654796082 /nfs/dbraw/zinc/79/60/82/654796082.db2.gz PZYJIXWVHLSYQV-NSHDSACASA-N 1 1 377.850 1.556 20 5 GDBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000780865881 654796086 /nfs/dbraw/zinc/79/60/86/654796086.db2.gz PZYJIXWVHLSYQV-NSHDSACASA-N 1 1 377.850 1.556 20 5 GDBDMO CC1(C)OCC(CO)([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CO1 ZINC000787663069 654969952 /nfs/dbraw/zinc/96/99/52/654969952.db2.gz BLNPHOJSNZNVAT-UHFFFAOYSA-N 1 1 375.219 1.961 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000842482131 655367299 /nfs/dbraw/zinc/36/72/99/655367299.db2.gz PCKSGLAUNCIRAL-AWEZNQCLSA-N 1 1 382.829 1.978 20 5 GDBDMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1(C)C ZINC000891005635 658177716 /nfs/dbraw/zinc/17/77/16/658177716.db2.gz BNWHVWOVGOQLLI-UHFFFAOYSA-N 1 1 399.245 1.848 20 5 GDBDMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1(C)C ZINC000891005635 658177720 /nfs/dbraw/zinc/17/77/20/658177720.db2.gz BNWHVWOVGOQLLI-UHFFFAOYSA-N 1 1 399.245 1.848 20 5 GDBDMO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000900641660 659129635 /nfs/dbraw/zinc/12/96/35/659129635.db2.gz YPVMOGDYGWAEKT-LBPRGKRZSA-N 1 1 396.245 1.954 20 5 GDBDMO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000900641660 659129640 /nfs/dbraw/zinc/12/96/40/659129640.db2.gz YPVMOGDYGWAEKT-LBPRGKRZSA-N 1 1 396.245 1.954 20 5 GDBDMO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900802793 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ZINC000267484930 531428415 /nfs/dbraw/zinc/42/84/15/531428415.db2.gz URTFGYFBYVXRCH-GHMZBOCLSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000267484930 531428419 /nfs/dbraw/zinc/42/84/19/531428419.db2.gz URTFGYFBYVXRCH-GHMZBOCLSA-N 1 1 386.246 1.884 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000365932508 531695890 /nfs/dbraw/zinc/69/58/90/531695890.db2.gz VQJYXVXWHIYPFJ-RYUDHWBXSA-N 1 1 389.861 1.698 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000365932508 531695895 /nfs/dbraw/zinc/69/58/95/531695895.db2.gz VQJYXVXWHIYPFJ-RYUDHWBXSA-N 1 1 389.861 1.698 20 5 GDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000590551097 531690086 /nfs/dbraw/zinc/69/00/86/531690086.db2.gz WKNPZLODMCAWFO-UONOGXRCSA-N 1 1 398.257 1.567 20 5 GDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]21 ZINC000451878802 531700876 /nfs/dbraw/zinc/70/08/76/531700876.db2.gz OJLMLYDUHZJQDM-SKDRFNHKSA-N 1 1 379.360 1.938 20 5 GDBDMO C[C@@H](O)C[NH+]1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000302507973 532048358 /nfs/dbraw/zinc/04/83/58/532048358.db2.gz FGXXIMWNDDCNEY-SNVBAGLBSA-N 1 1 391.209 1.702 20 5 GDBDMO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602534583 532080583 /nfs/dbraw/zinc/08/05/83/532080583.db2.gz JUSGMSJDJWCHPX-MRVPVSSYSA-N 1 1 398.304 1.932 20 5 GDBDMO NS(=O)(=O)c1cccc(NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000273501152 532153373 /nfs/dbraw/zinc/15/33/73/532153373.db2.gz RTMOWYAHPGNCDT-UHFFFAOYSA-N 1 1 382.467 1.774 20 5 GDBDMO NS(=O)(=O)c1cccc(NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000273501152 532153378 /nfs/dbraw/zinc/15/33/78/532153378.db2.gz RTMOWYAHPGNCDT-UHFFFAOYSA-N 1 1 382.467 1.774 20 5 GDBDMO Cc1sc(S(=O)(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432292362 532283132 /nfs/dbraw/zinc/28/31/32/532283132.db2.gz UGNDZQDNQGLPLI-NSHDSACASA-N 1 1 377.488 1.744 20 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O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000823639562 606927261 /nfs/dbraw/zinc/92/72/61/606927261.db2.gz DRNUVSPSHRTFNZ-GDBMZVCRSA-N 1 1 396.411 1.390 20 5 GDBDMO Cc1c(Br)c(NCCC[N@H+]2CCC[C@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000542505643 650406748 /nfs/dbraw/zinc/40/67/48/650406748.db2.gz KJYOUBSRYUZCSM-JTQLQIEISA-N 1 1 386.250 1.812 20 5 GDBDMO COc1cc(C[NH2+]C[C@H](C)S(C)(=O)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000554475959 650675968 /nfs/dbraw/zinc/67/59/68/650675968.db2.gz ZVNHVYSGWPRIFE-VIFPVBQESA-N 1 1 382.385 1.770 20 5 GDBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000565802263 650815181 /nfs/dbraw/zinc/81/51/81/650815181.db2.gz CAZMRSJOMPDMFD-ZDUSSCGKSA-N 1 1 392.193 1.783 20 5 GDBDMO C[N@@H+](CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000059490621 644503635 /nfs/dbraw/zinc/50/36/35/644503635.db2.gz GDVYHKXIRFNGFQ-UHFFFAOYSA-N 1 1 378.248 1.730 20 5 GDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc([N+](=O)[O-])cc1Br ZINC000452394101 647323038 /nfs/dbraw/zinc/32/30/38/647323038.db2.gz UGSBIHWEFLCPPN-GFCCVEGCSA-N 1 1 386.246 1.934 20 5 GDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501130327 648130635 /nfs/dbraw/zinc/13/06/35/648130635.db2.gz VBLXAVWEKPJQJS-ZDUSSCGKSA-N 1 1 386.250 1.725 20 5 GDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000589926627 652121294 /nfs/dbraw/zinc/12/12/94/652121294.db2.gz XVQKCXRPHOXLKU-CABZTGNLSA-N 1 1 390.259 1.682 20 5 GDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@@H]2C1 ZINC000589926749 652121310 /nfs/dbraw/zinc/12/13/10/652121310.db2.gz ZVNLENYJQGXXKP-JOYOIKCWSA-N 1 1 379.360 1.938 20 5 GDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854883 652254368 /nfs/dbraw/zinc/25/43/68/652254368.db2.gz MBZFQMAVBGSWFU-CYBMUJFWSA-N 1 1 384.230 1.177 20 5 GDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854883 652254372 /nfs/dbraw/zinc/25/43/72/652254372.db2.gz MBZFQMAVBGSWFU-CYBMUJFWSA-N 1 1 384.230 1.177 20 5 GDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCCc2scnc21 ZINC000599034037 652478257 /nfs/dbraw/zinc/47/82/57/652478257.db2.gz YNEBMEJJJGANIP-NSHDSACASA-N 1 1 382.467 1.997 20 5 GDBDMO Cc1c(Br)c(N2CC(CN3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000599109355 652478956 /nfs/dbraw/zinc/47/89/56/652478956.db2.gz UXXZBHBUCDMMMV-UHFFFAOYSA-N 1 1 384.278 1.744 20 5 GDBDMO COC(=O)[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+](C)C1 ZINC000602694614 652645442 /nfs/dbraw/zinc/64/54/42/652645442.db2.gz KBYNUAGAYKJCSJ-VIFPVBQESA-N 1 1 392.275 1.955 20 5 GDBDMO COC(=O)[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+](C)C1 ZINC000602694614 652645443 /nfs/dbraw/zinc/64/54/43/652645443.db2.gz KBYNUAGAYKJCSJ-VIFPVBQESA-N 1 1 392.275 1.955 20 5 GDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000609450173 652844640 /nfs/dbraw/zinc/84/46/40/652844640.db2.gz GNBCTEFGJHFAID-VIFPVBQESA-N 1 1 389.193 1.976 20 5 GDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000609450173 652844646 /nfs/dbraw/zinc/84/46/46/652844646.db2.gz GNBCTEFGJHFAID-VIFPVBQESA-N 1 1 389.193 1.976 20 5 GDBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841525573 655337348 /nfs/dbraw/zinc/33/73/48/655337348.db2.gz ZPIWUHDFDVBDGA-VIFPVBQESA-N 1 1 378.248 1.587 20 5 GDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)[C@H]2C1 ZINC000818033095 655364886 /nfs/dbraw/zinc/36/48/86/655364886.db2.gz FMBMTGZVZNQRJM-QWHCGFSZSA-N 1 1 399.245 1.688 20 5 GDBDMO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928555228 656915788 /nfs/dbraw/zinc/91/57/88/656915788.db2.gz KSPOKNIAQWZMOT-SECBINFHSA-N 1 1 389.193 1.942 20 5 GDBDMO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928555228 656915791 /nfs/dbraw/zinc/91/57/91/656915791.db2.gz KSPOKNIAQWZMOT-SECBINFHSA-N 1 1 389.193 1.942 20 5 GDBDMO CN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888989494 657964739 /nfs/dbraw/zinc/96/47/39/657964739.db2.gz NSHLRSOTYVAZIY-UHFFFAOYSA-N 1 1 385.262 1.677 20 5 GDBDMO CN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888989494 657964741 /nfs/dbraw/zinc/96/47/41/657964741.db2.gz NSHLRSOTYVAZIY-UHFFFAOYSA-N 1 1 385.262 1.677 20 5 GDBDMO C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900804332 659147644 /nfs/dbraw/zinc/14/76/44/659147644.db2.gz KLBBSICRJJOVFO-NHYWBVRUSA-N 1 1 399.289 1.650 20 5 GDBDMO C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900804332 659147652 /nfs/dbraw/zinc/14/76/52/659147652.db2.gz KLBBSICRJJOVFO-NHYWBVRUSA-N 1 1 399.289 1.650 20 5 GDBDMO C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900804332 659147654 /nfs/dbraw/zinc/14/76/54/659147654.db2.gz KLBBSICRJJOVFO-NHYWBVRUSA-N 1 1 399.289 1.650 20 5 GDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])C2 ZINC001164808605 720116566 /nfs/dbraw/zinc/11/65/66/720116566.db2.gz 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Cc1sc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000613475692 652958455 /nfs/dbraw/zinc/95/84/55/652958455.db2.gz XPRVJYQVEJKWEJ-CYBMUJFWSA-N 1 1 388.515 1.365 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000726187199 654849021 /nfs/dbraw/zinc/84/90/21/654849021.db2.gz NXGRKBSPSJWCMP-NEPJUHHUSA-N 1 1 389.861 1.698 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000726187199 654849025 /nfs/dbraw/zinc/84/90/25/654849025.db2.gz NXGRKBSPSJWCMP-NEPJUHHUSA-N 1 1 389.861 1.698 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000754793305 654980162 /nfs/dbraw/zinc/98/01/62/654980162.db2.gz PVQGMDVHVZSDTD-SECBINFHSA-N 1 1 390.259 1.872 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000754793305 654980163 /nfs/dbraw/zinc/98/01/63/654980163.db2.gz PVQGMDVHVZSDTD-SECBINFHSA-N 1 1 390.259 1.872 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+](C)CCN(C)C ZINC000808334210 655106776 /nfs/dbraw/zinc/10/67/76/655106776.db2.gz FDPZPEDRPRXGEM-UHFFFAOYSA-N 1 1 392.909 1.718 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCN(C)CC[NH+](C)C ZINC000808334210 655106777 /nfs/dbraw/zinc/10/67/77/655106777.db2.gz FDPZPEDRPRXGEM-UHFFFAOYSA-N 1 1 392.909 1.718 20 5 GDBDMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000810355331 655156215 /nfs/dbraw/zinc/15/62/15/655156215.db2.gz YYPCMWHZAPRILT-SNVBAGLBSA-N 1 1 385.218 1.506 20 5 GDBDMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000765170386 655232763 /nfs/dbraw/zinc/23/27/63/655232763.db2.gz NXUCJCNUBNHSOS-SECBINFHSA-N 1 1 378.248 1.730 20 5 GDBDMO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000765170386 655232764 /nfs/dbraw/zinc/23/27/64/655232764.db2.gz NXUCJCNUBNHSOS-SECBINFHSA-N 1 1 378.248 1.730 20 5 GDBDMO COCC[N@@H+](C)CCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883299153 657280676 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/nfs/dbraw/zinc/40/08/35/721400835.db2.gz FZSWXQCZZNLCQV-PHIMTYICSA-N 1 1 376.398 1.923 20 5 GDBDMO C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCCO1 ZINC001594526847 986064682 /nfs/dbraw/zinc/06/46/82/986064682.db2.gz FGHDXXMGORNGPE-CQSZACIVSA-N 1 1 381.429 1.649 20 5 GDBDMO C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCCO1 ZINC001594526847 986064690 /nfs/dbraw/zinc/06/46/90/986064690.db2.gz FGHDXXMGORNGPE-CQSZACIVSA-N 1 1 381.429 1.649 20 5 GDBDMO CN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158814689 530536348 /nfs/dbraw/zinc/53/63/48/530536348.db2.gz NYXRHPZQYFQTIH-UHFFFAOYSA-N 1 1 385.262 1.725 20 5 GDBDMO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000161688740 530562819 /nfs/dbraw/zinc/56/28/19/530562819.db2.gz ZPDPFMPTGZPMBO-LBPRGKRZSA-N 1 1 375.422 1.105 20 5 GDBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000093583285 530814092 /nfs/dbraw/zinc/81/40/92/530814092.db2.gz AIFAPMGTXLWRCL-ZDUSSCGKSA-N 1 1 388.262 1.482 20 5 GDBDMO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124636245 530998135 /nfs/dbraw/zinc/99/81/35/530998135.db2.gz DUROMSCGYSPOAZ-PHIMTYICSA-N 1 1 390.259 1.872 20 5 GDBDMO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124658911 530998253 /nfs/dbraw/zinc/99/82/53/530998253.db2.gz TWLGTNQNVJMHOI-PHIMTYICSA-N 1 1 390.259 1.872 20 5 GDBDMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000291431515 531291626 /nfs/dbraw/zinc/29/16/26/531291626.db2.gz YOOUHOIZSISZTF-AOOOYVTPSA-N 1 1 397.229 1.316 20 5 GDBDMO COC(=O)CC1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCS(=O)(=O)CC1 ZINC000439275699 531318682 /nfs/dbraw/zinc/31/86/82/531318682.db2.gz PNIGMGQZMDWDRW-UHFFFAOYSA-N 1 1 390.845 1.848 20 5 GDBDMO CN(C)C(=O)C1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000411917123 531347963 /nfs/dbraw/zinc/34/79/63/531347963.db2.gz XJBYPGZIAPBODK-UHFFFAOYSA-N 1 1 389.193 1.910 20 5 GDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267483893 531428261 /nfs/dbraw/zinc/42/82/61/531428261.db2.gz UCJOAAHOEDTNRD-GFCCVEGCSA-N 1 1 386.246 1.886 20 5 GDBDMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000581682035 531509161 /nfs/dbraw/zinc/50/91/61/531509161.db2.gz SHTIDYUJZYDKNZ-KOLCDFICSA-N 1 1 399.245 1.895 20 5 GDBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295123003 531523715 /nfs/dbraw/zinc/52/37/15/531523715.db2.gz JZTCLCVXMZYFKY-UHFFFAOYSA-N 1 1 386.257 1.494 20 5 GDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295496515 531588499 /nfs/dbraw/zinc/58/84/99/531588499.db2.gz OXMBXPSYXYBGFN-GFCCVEGCSA-N 1 1 386.246 1.934 20 5 GDBDMO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416493403 531645716 /nfs/dbraw/zinc/64/57/16/531645716.db2.gz DRUPQXSHLLGCAD-JTQLQIEISA-N 1 1 392.275 1.896 20 5 GDBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000590551487 531690393 /nfs/dbraw/zinc/69/03/93/531690393.db2.gz YKUYPPWQVDOUIC-AAEUAGOBSA-N 1 1 398.257 1.947 20 5 GDBDMO Cc1c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619532387 531711010 /nfs/dbraw/zinc/71/10/10/531711010.db2.gz AYHXTPQDDXUIEC-NSHDSACASA-N 1 1 399.245 1.815 20 5 GDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821614737 606713511 /nfs/dbraw/zinc/71/35/11/606713511.db2.gz SLDUATRNFMNVTQ-CQSZACIVSA-N 1 1 380.412 1.881 20 5 GDBDMO CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000551409178 650606362 /nfs/dbraw/zinc/60/63/62/650606362.db2.gz PCUITSVDGPBUJS-UHFFFAOYSA-N 1 1 399.245 1.848 20 5 GDBDMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551495453 650607721 /nfs/dbraw/zinc/60/77/21/650607721.db2.gz YRTPBEDFVIORFO-SNVBAGLBSA-N 1 1 399.245 1.754 20 5 GDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551906818 650614836 /nfs/dbraw/zinc/61/48/36/650614836.db2.gz ZLTQDYVIENWJJJ-LBPRGKRZSA-N 1 1 399.245 1.848 20 5 GDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551906818 650614837 /nfs/dbraw/zinc/61/48/37/650614837.db2.gz ZLTQDYVIENWJJJ-LBPRGKRZSA-N 1 1 399.245 1.848 20 5 GDBDMO C[C@@H]1C[NH+](CCCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000119982252 644665605 /nfs/dbraw/zinc/66/56/05/644665605.db2.gz ZBCNMYNHYYBHQW-VXGBXAGGSA-N 1 1 377.488 1.824 20 5 GDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000121232067 644678207 /nfs/dbraw/zinc/67/82/07/644678207.db2.gz LHRFUYYGNHXGFW-SNVBAGLBSA-N 1 1 392.275 1.977 20 5 GDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000416288500 645900135 /nfs/dbraw/zinc/90/01/35/645900135.db2.gz DFXNDTKHZXRECS-MNOVXSKESA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@H+]1CCO ZINC000416288500 645900138 /nfs/dbraw/zinc/90/01/38/645900138.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)nc1 ZINC000595111438 652393365 /nfs/dbraw/zinc/39/33/65/652393365.db2.gz KMBXLABPUPACKI-AWEZNQCLSA-N 1 1 382.829 1.978 20 5 GDBDMO CC1(C)CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000595131429 652394592 /nfs/dbraw/zinc/39/45/92/652394592.db2.gz ZDFJYRYFBQCHLE-UHFFFAOYSA-N 1 1 378.248 1.730 20 5 GDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599977030 652520730 /nfs/dbraw/zinc/52/07/30/652520730.db2.gz GMRNKGUBIHVHFW-NSHDSACASA-N 1 1 386.246 1.934 20 5 GDBDMO C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000768881704 654439492 /nfs/dbraw/zinc/43/94/92/654439492.db2.gz JDVWJOIFKMNSNP-OCCSQVGLSA-N 1 1 388.515 1.303 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000752246209 654923781 /nfs/dbraw/zinc/92/37/81/654923781.db2.gz FVBLMJUVRWIPTO-UHFFFAOYSA-N 1 1 392.909 1.671 20 5 GDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)C[NH+]1CCOCC1 ZINC000798173497 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COc1ncnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164865948 721088955 /nfs/dbraw/zinc/08/89/55/721088955.db2.gz QEWDELGHKSJCIA-HUUCEWRRSA-N 1 1 386.412 1.268 20 5 GDBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cccc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164892221 721392873 /nfs/dbraw/zinc/39/28/73/721392873.db2.gz SEOSTPFHNYGUPR-LPHOPBHVSA-N 1 1 375.473 1.755 20 5 GDBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884485 721406095 /nfs/dbraw/zinc/40/60/95/721406095.db2.gz DIUGVAAKFXWIJC-VQIMIIECSA-N 1 1 390.488 1.459 20 5 GDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)c1 ZINC000174789527 530654694 /nfs/dbraw/zinc/65/46/94/530654694.db2.gz YADSKECDPFHRPQ-ZDUSSCGKSA-N 1 1 381.230 1.973 20 5 GDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3c(Br)cccc3C2)c1 ZINC000174789527 530654699 /nfs/dbraw/zinc/65/46/99/530654699.db2.gz YADSKECDPFHRPQ-ZDUSSCGKSA-N 1 1 381.230 1.973 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000104102772 530837166 /nfs/dbraw/zinc/83/71/66/530837166.db2.gz MTSGFEVIDICBPG-UHFFFAOYSA-N 1 1 392.909 1.671 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000186429664 530856604 /nfs/dbraw/zinc/85/66/04/530856604.db2.gz OVNCXQHFNZAUHH-UHFFFAOYSA-N 1 1 375.422 1.753 20 5 GDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[N@H+]1CCCOCC1 ZINC000189379969 530911784 /nfs/dbraw/zinc/91/17/84/530911784.db2.gz AAJGXJVKTQULDG-UHFFFAOYSA-N 1 1 386.246 1.738 20 5 GDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)CN1CC[NH+](C)CC1 ZINC000122458544 530972120 /nfs/dbraw/zinc/97/21/20/530972120.db2.gz QDDNBJRSDVTJLP-GFCCVEGCSA-N 1 1 399.289 1.971 20 5 GDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000125632279 531008514 /nfs/dbraw/zinc/00/85/14/531008514.db2.gz UCQRUPWHHYOQSN-VIFPVBQESA-N 1 1 389.193 1.881 20 5 GDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267493793 531429408 /nfs/dbraw/zinc/42/94/08/531429408.db2.gz XULMOJFXVXKXLU-GFCCVEGCSA-N 1 1 399.245 1.427 20 5 GDBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000490742499 531543245 /nfs/dbraw/zinc/54/32/45/531543245.db2.gz LLUHVYNZTOTPNP-LLVKDONJSA-N 1 1 375.422 1.753 20 5 GDBDMO C[C@H](O)C[N@@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558469733 531561867 /nfs/dbraw/zinc/56/18/67/531561867.db2.gz FVQZMZCZMBRGJU-VIFPVBQESA-N 1 1 380.182 1.375 20 5 GDBDMO Cc1c(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000281071385 531575681 /nfs/dbraw/zinc/57/56/81/531575681.db2.gz KTKIITRVNVEYSY-SNVBAGLBSA-N 1 1 399.245 1.672 20 5 GDBDMO Cc1c(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000281162013 531587591 /nfs/dbraw/zinc/58/75/91/531587591.db2.gz PTJNKNNLYHUWMR-UHFFFAOYSA-N 1 1 399.245 1.768 20 5 GDBDMO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590282190 531687741 /nfs/dbraw/zinc/68/77/41/531687741.db2.gz STMJHRYVXIKIGW-RNCFNFMXSA-N 1 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COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000108400095 644618396 /nfs/dbraw/zinc/61/83/96/644618396.db2.gz NQWDZDHDHJMBIC-LBPRGKRZSA-N 1 1 377.850 1.637 20 5 GDBDMO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000237060135 645082478 /nfs/dbraw/zinc/08/24/78/645082478.db2.gz JJGSHRYHBIUEFC-UHFFFAOYSA-N 1 1 385.467 1.871 20 5 GDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331321867 645498669 /nfs/dbraw/zinc/49/86/69/645498669.db2.gz KNWAIJZBAPQOFW-ZDUSSCGKSA-N 1 1 385.262 1.262 20 5 GDBDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000595194673 652396982 /nfs/dbraw/zinc/39/69/82/652396982.db2.gz SCJPWZQRGMFDDH-NSHDSACASA-N 1 1 399.245 1.896 20 5 GDBDMO Cc1sc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000595385191 652415875 /nfs/dbraw/zinc/41/58/75/652415875.db2.gz VQHPJLMVMIZJEU-LBPRGKRZSA-N 1 1 375.472 1.184 20 5 GDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000611515529 652919620 /nfs/dbraw/zinc/91/96/20/652919620.db2.gz CWBOMUDIEVFRIU-UHFFFAOYSA-N 1 1 386.246 1.886 20 5 GDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000751000355 654867648 /nfs/dbraw/zinc/86/76/48/654867648.db2.gz YYDXPMBORMFUSK-NWDGAFQWSA-N 1 1 384.230 1.950 20 5 GDBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000811478127 655197825 /nfs/dbraw/zinc/19/78/25/655197825.db2.gz BXBYMIOAUFYERJ-UHFFFAOYSA-N 1 1 398.268 1.653 20 5 GDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000813738429 655244417 /nfs/dbraw/zinc/24/44/17/655244417.db2.gz HKWLQSVZKDWWQQ-RNCFNFMXSA-N 1 1 390.259 1.682 20 5 GDBDMO COC(=O)[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000839629946 655258266 /nfs/dbraw/zinc/25/82/66/655258266.db2.gz DXTADLGGSOWMKL-GFCCVEGCSA-N 1 1 386.246 1.894 20 5 GDBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC(C[NH+]2CCOCC2)C1 ZINC000857266893 655732853 /nfs/dbraw/zinc/73/28/53/655732853.db2.gz ZYTCPEFJKBKOAR-UHFFFAOYSA-N 1 1 384.230 1.762 20 5 GDBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000908074485 659865447 /nfs/dbraw/zinc/86/54/47/659865447.db2.gz ZLWVDFRSYRFTJB-HWPZZCPQSA-N 1 1 398.257 1.697 20 5 GDBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599937063 677678997 /nfs/dbraw/zinc/67/89/97/677678997.db2.gz COFYQMYNAHWDNA-OLZOCXBDSA-N 1 1 398.257 1.947 20 5 GDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])C2 ZINC001164808600 720115874 /nfs/dbraw/zinc/11/58/74/720115874.db2.gz FVDFOKYZUVIWIJ-HNAYVOBHSA-N 1 1 391.472 1.887 20 5 GDBDMO O=[N+]([O-])c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741753 720811183 /nfs/dbraw/zinc/81/11/83/720811183.db2.gz BWIADELMOLYAGF-CGTJXYLNSA-N 1 1 383.456 1.961 20 5 GDBDMO Nc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164976566 722126585 /nfs/dbraw/zinc/12/65/85/722126585.db2.gz LVEYSRJHEFXDCQ-DOTOQJQBSA-N 1 1 384.440 1.694 20 5 GDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000037646997 530616881 /nfs/dbraw/zinc/61/68/81/530616881.db2.gz RMRCHLPPMOIIGO-VIFPVBQESA-N 1 1 389.193 1.881 20 5 GDBDMO CS(=O)(=O)CCOCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174512543 530649895 /nfs/dbraw/zinc/64/98/95/530649895.db2.gz WMZJKQKSDHZXTM-UHFFFAOYSA-N 1 1 385.467 1.869 20 5 GDBDMO CN1CC[NH+](CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176927501 530694917 /nfs/dbraw/zinc/69/49/17/530694917.db2.gz GYHQUGWKOXPISM-UHFFFAOYSA-N 1 1 385.262 1.725 20 5 GDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000066580205 530763920 /nfs/dbraw/zinc/76/39/20/530763920.db2.gz YSXYFBIRBGNPIK-JTQLQIEISA-N 1 1 392.275 1.977 20 5 GDBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181703451 530789586 /nfs/dbraw/zinc/78/95/86/530789586.db2.gz NYGWPAQWHCOZCI-QWRGUYRKSA-N 1 1 375.422 1.816 20 5 GDBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181703451 530789588 /nfs/dbraw/zinc/78/95/88/530789588.db2.gz NYGWPAQWHCOZCI-QWRGUYRKSA-N 1 1 375.422 1.816 20 5 GDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000193638287 530991019 /nfs/dbraw/zinc/99/10/19/530991019.db2.gz QQLHISBLBXOACF-AMIZOPFISA-N 1 1 385.218 1.410 20 5 GDBDMO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000123987512 530989900 /nfs/dbraw/zinc/98/99/00/530989900.db2.gz JSNKVZGNBZPMFQ-RKDXNWHRSA-N 1 1 378.248 1.728 20 5 GDBDMO COC[C@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262375656 531118580 /nfs/dbraw/zinc/11/85/80/531118580.db2.gz XEFAKVLJNLBWKS-CYBMUJFWSA-N 1 1 398.268 1.949 20 5 GDBDMO C[NH+](C)C1CN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000277708888 531304883 /nfs/dbraw/zinc/30/48/83/531304883.db2.gz GBKQNTAWTSFZJI-UHFFFAOYSA-N 1 1 382.211 1.431 20 5 GDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 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/nfs/dbraw/zinc/41/54/03/652415403.db2.gz CZZOVMQGCHWXEU-LBPRGKRZSA-N 1 1 389.861 1.468 20 5 GDBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597623893 652455148 /nfs/dbraw/zinc/45/51/48/652455148.db2.gz DCROTVASYHJQPJ-LBPRGKRZSA-N 1 1 383.246 1.477 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000599025060 652477930 /nfs/dbraw/zinc/47/79/30/652477930.db2.gz YHYJLEDYRIRWMY-CYBMUJFWSA-N 1 1 382.467 1.997 20 5 GDBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599361647 652486746 /nfs/dbraw/zinc/48/67/46/652486746.db2.gz WMUQSDIYYVSOBI-UHFFFAOYSA-N 1 1 386.246 1.886 20 5 GDBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599939252 652519042 /nfs/dbraw/zinc/51/90/42/652519042.db2.gz UCNLNLUYSUPUIT-VXGBXAGGSA-N 1 1 384.230 1.638 20 5 GDBDMO Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])s1 ZINC000601348318 652568932 /nfs/dbraw/zinc/56/89/32/652568932.db2.gz UTXLPTJLEWOPPL-CYBMUJFWSA-N 1 1 388.515 1.365 20 5 GDBDMO C[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000768881699 654439541 /nfs/dbraw/zinc/43/95/41/654439541.db2.gz JDVWJOIFKMNSNP-GXTWGEPZSA-N 1 1 388.515 1.303 20 5 GDBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000780867114 654796494 /nfs/dbraw/zinc/79/64/94/654796494.db2.gz ZGCHLIYQDJYEBK-LLVKDONJSA-N 1 1 377.850 1.556 20 5 GDBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000780867114 654796498 /nfs/dbraw/zinc/79/64/98/654796498.db2.gz ZGCHLIYQDJYEBK-LLVKDONJSA-N 1 1 377.850 1.556 20 5 GDBDMO C[N@H+]1CC[C@@H]2CN(CN3Cc4cc(Br)c([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000840132332 655277306 /nfs/dbraw/zinc/27/73/06/655277306.db2.gz KXKDZHNJJXEYNZ-BMIGLBTASA-N 1 1 395.257 1.907 20 5 GDBDMO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000858323579 655747288 /nfs/dbraw/zinc/74/72/88/655747288.db2.gz XXWYDRFKWGHUCA-MRVPVSSYSA-N 1 1 393.181 1.697 20 5 GDBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000859393271 655780564 /nfs/dbraw/zinc/78/05/64/655780564.db2.gz SNQQXUNEFFYUSN-VIFPVBQESA-N 1 1 378.248 1.730 20 5 GDBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCCC[NH+]1CCOCC1 ZINC000864414364 655897265 /nfs/dbraw/zinc/89/72/65/655897265.db2.gz PPRGYNLPIJXKOD-UHFFFAOYSA-N 1 1 386.246 1.738 20 5 GDBDMO CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+](C)CC1 ZINC000888989797 657965682 /nfs/dbraw/zinc/96/56/82/657965682.db2.gz ZGYGLTJBGCEGIJ-UHFFFAOYSA-N 1 1 399.289 1.606 20 5 GDBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896556798 658789488 /nfs/dbraw/zinc/78/94/88/658789488.db2.gz PTCCZBKXIMMEAW-IAQYHMDHSA-N 1 1 399.289 1.650 20 5 GDBDMO C[N@H+]1C[C@@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896914930 658813960 /nfs/dbraw/zinc/81/39/60/658813960.db2.gz QMAIBCUEPYNEPF-BMIGLBTASA-N 1 1 375.397 1.979 20 5 GDBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)CC[C@@H]2C1 ZINC001164853776 720880411 /nfs/dbraw/zinc/88/04/11/720880411.db2.gz CSZODODJVJSFJA-WBVHZDCISA-N 1 1 394.472 1.951 20 5 GDBDMO COc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164871379 721042141 /nfs/dbraw/zinc/04/21/41/721042141.db2.gz YKBWYFVVDNUDDA-LSDHHAIUSA-N 1 1 386.412 1.268 20 5 GDBDMO COc1ncnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164865946 721088511 /nfs/dbraw/zinc/08/85/11/721088511.db2.gz QEWDELGHKSJCIA-CABCVRRESA-N 1 1 386.412 1.268 20 5 GDBDMO Cc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c([N+](=O)[O-])c1 ZINC001164879233 721262501 /nfs/dbraw/zinc/26/25/01/721262501.db2.gz WSZOOYGDOZRLKA-UHFFFAOYSA-N 1 1 391.472 1.305 20 5 GDBDMO Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164971147 722152260 /nfs/dbraw/zinc/15/22/60/722152260.db2.gz AXDHXKVHINMGRE-AEFFLSMTSA-N 1 1 384.440 1.816 20 5 GDBDMO Cc1c(C)c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1[N+](=O)[O-] ZINC001164997555 722234238 /nfs/dbraw/zinc/23/42/38/722234238.db2.gz PRSBAHWCWHNPEK-UHFFFAOYSA-N 1 1 397.483 1.754 20 5 GDBDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000108400052 530857217 /nfs/dbraw/zinc/85/72/17/530857217.db2.gz CCDYKYPAWNOYAE-GFCCVEGCSA-N 1 1 377.850 1.637 20 5 GDBDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000108400052 530857220 /nfs/dbraw/zinc/85/72/20/530857220.db2.gz CCDYKYPAWNOYAE-GFCCVEGCSA-N 1 1 377.850 1.637 20 5 GDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000249114318 531084581 /nfs/dbraw/zinc/08/45/81/531084581.db2.gz RTPXBAKVEXOVDU-MNOVXSKESA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000249114318 531084582 /nfs/dbraw/zinc/08/45/82/531084582.db2.gz RTPXBAKVEXOVDU-MNOVXSKESA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000151795419 531142692 /nfs/dbraw/zinc/14/26/92/531142692.db2.gz PNPHQVUTIBLARU-RYUDHWBXSA-N 1 1 377.488 1.824 20 5 GDBDMO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C[C@H]1[NH+](C)C ZINC000270431233 531868617 /nfs/dbraw/zinc/86/86/17/531868617.db2.gz GCPOVYZJHRNXOI-ZIAGYGMSSA-N 1 1 387.483 1.116 20 5 GDBDMO Cc1sc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000298306542 531874965 /nfs/dbraw/zinc/87/49/65/531874965.db2.gz DVQNWTVKRGOABA-LLVKDONJSA-N 1 1 375.472 1.156 20 5 GDBDMO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3sc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285047863 532024091 /nfs/dbraw/zinc/02/40/91/532024091.db2.gz BESDDKUQSIWPQU-ZJUUUORDSA-N 1 1 390.259 1.964 20 5 GDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3sc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285047863 532024093 /nfs/dbraw/zinc/02/40/93/532024093.db2.gz BESDDKUQSIWPQU-ZJUUUORDSA-N 1 1 390.259 1.964 20 5 GDBDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[N@H+](C)C1 ZINC000285045158 532024755 /nfs/dbraw/zinc/02/47/55/532024755.db2.gz NKNZPXQTZJQLCN-RYUDHWBXSA-N 1 1 377.850 1.588 20 5 GDBDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[N@@H+](C)C1 ZINC000285045158 532024762 /nfs/dbraw/zinc/02/47/62/532024762.db2.gz NKNZPXQTZJQLCN-RYUDHWBXSA-N 1 1 377.850 1.588 20 5 GDBDMO COC(=O)[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000425466692 532140226 /nfs/dbraw/zinc/14/02/26/532140226.db2.gz BWEMZWXRWDBFOF-LBPRGKRZSA-N 1 1 386.246 1.894 20 5 GDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000273981863 532179041 /nfs/dbraw/zinc/17/90/41/532179041.db2.gz QOXLYWYZFBKEFA-UHFFFAOYSA-N 1 1 390.259 1.898 20 5 GDBDMO C[N@@H+](CCn1cc(Br)cn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000288825712 532308801 /nfs/dbraw/zinc/30/88/01/532308801.db2.gz NMDCRXDENWINOM-ZDUSSCGKSA-N 1 1 399.245 1.926 20 5 GDBDMO O=[N+]([O-])c1ccc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738370817 599044627 /nfs/dbraw/zinc/04/46/27/599044627.db2.gz QPDVFDJJJLPAGH-IBGZPJMESA-N 1 1 395.423 1.824 20 5 GDBDMO O=[N+]([O-])c1cnc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738375026 599044866 /nfs/dbraw/zinc/04/48/66/599044866.db2.gz XZOJHZZHANPLEA-GOSISDBHSA-N 1 1 396.411 1.219 20 5 GDBDMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1CC ZINC000736623195 598672394 /nfs/dbraw/zinc/67/23/94/598672394.db2.gz CECYXZFGCLVHHV-CYBMUJFWSA-N 1 1 375.433 1.712 20 5 GDBDMO C[C@H](Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H](C)[NH+]1CCOCC1 ZINC000820452129 599527792 /nfs/dbraw/zinc/52/77/92/599527792.db2.gz ZYRRRYBTWLPFOC-RYUDHWBXSA-N 1 1 398.427 1.844 20 5 GDBDMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000826182759 607466451 /nfs/dbraw/zinc/46/64/51/607466451.db2.gz SURYDTOTVSCZOF-AWEZNQCLSA-N 1 1 396.411 1.865 20 5 GDBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821114437 606644863 /nfs/dbraw/zinc/64/48/63/606644863.db2.gz SBFVGTCNZGNEPR-UHFFFAOYSA-N 1 1 388.432 1.177 20 5 GDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000826497800 609388060 /nfs/dbraw/zinc/38/80/60/609388060.db2.gz VHPXOYJOHOUTIU-MRXNPFEDSA-N 1 1 395.423 1.954 20 5 GDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@@H+]1C ZINC000110732366 644625647 /nfs/dbraw/zinc/62/56/47/644625647.db2.gz FCFNNOKHBTYAJU-SECBINFHSA-N 1 1 389.193 1.976 20 5 GDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@H+]1C ZINC000110732366 644625653 /nfs/dbraw/zinc/62/56/53/644625653.db2.gz FCFNNOKHBTYAJU-SECBINFHSA-N 1 1 389.193 1.976 20 5 GDBDMO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000463278667 647555984 /nfs/dbraw/zinc/55/59/84/647555984.db2.gz GWTDPFGUIHNLIL-UHFFFAOYSA-N 1 1 378.457 1.195 20 5 GDBDMO C[C@@H](O)C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)CO ZINC000577836953 651756640 /nfs/dbraw/zinc/75/66/40/651756640.db2.gz SKKYXQOXPMCZBU-NXEZZACHSA-N 1 1 394.209 1.763 20 5 GDBDMO C[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccsc2S1(=O)=O ZINC000578620080 651801157 /nfs/dbraw/zinc/80/11/57/651801157.db2.gz MXPAPWAPTKZNAD-GAFUQQFSSA-N 1 1 386.455 1.111 20 5 GDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000582316306 651988620 /nfs/dbraw/zinc/98/86/20/651988620.db2.gz KBKFVWOKYIKXOW-VHSXEESVSA-N 1 1 399.245 1.847 20 5 GDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000582316306 651988623 /nfs/dbraw/zinc/98/86/23/651988623.db2.gz KBKFVWOKYIKXOW-VHSXEESVSA-N 1 1 399.245 1.847 20 5 GDBDMO C[NH+]1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000597694835 652457181 /nfs/dbraw/zinc/45/71/81/652457181.db2.gz ONFUGIQWAZEGCT-UHFFFAOYSA-N 1 1 397.273 1.677 20 5 GDBDMO Cc1sc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000613475697 652958466 /nfs/dbraw/zinc/95/84/66/652958466.db2.gz XPRVJYQVEJKWEJ-ZDUSSCGKSA-N 1 1 388.515 1.365 20 5 GDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000836476458 655145384 /nfs/dbraw/zinc/14/53/84/655145384.db2.gz BVWGAVWYXZAJFD-JTQLQIEISA-N 1 1 387.234 1.888 20 5 GDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000836476458 655145387 /nfs/dbraw/zinc/14/53/87/655145387.db2.gz BVWGAVWYXZAJFD-JTQLQIEISA-N 1 1 387.234 1.888 20 5 GDBDMO COC(=O)[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840959105 655306267 /nfs/dbraw/zinc/30/62/67/655306267.db2.gz TYNSKSJUWFQSGD-LLVKDONJSA-N 1 1 386.246 1.894 20 5 GDBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000849447923 655537358 /nfs/dbraw/zinc/53/73/58/655537358.db2.gz WRQAFYCRROLYRV-UHFFFAOYSA-N 1 1 378.248 1.539 20 5 GDBDMO COCC[N@@H+](C)CCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864865237 655907379 /nfs/dbraw/zinc/90/73/79/655907379.db2.gz NNXWEQGWKJUYHZ-UHFFFAOYSA-N 1 1 388.262 1.984 20 5 GDBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1cc([N+](=O)[O-])ccc1Br ZINC000931488473 657102869 /nfs/dbraw/zinc/10/28/69/657102869.db2.gz SXCDEEOZNAZPFE-UHFFFAOYSA-N 1 1 385.262 1.563 20 5 GDBDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000882521921 657142344 /nfs/dbraw/zinc/14/23/44/657142344.db2.gz XPZZLUHKYYCELO-UHFFFAOYSA-N 1 1 390.893 1.554 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000892905702 658359409 /nfs/dbraw/zinc/35/94/09/658359409.db2.gz OJHWGVABUHHLAB-UHFFFAOYSA-N 1 1 379.891 1.716 20 5 GDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000898094223 658915610 /nfs/dbraw/zinc/91/56/10/658915610.db2.gz HOAIRQRXAOLXHW-UHFFFAOYSA-N 1 1 384.230 1.950 20 5 GDBDMO COc1ncnc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC001164649839 719310947 /nfs/dbraw/zinc/31/09/47/719310947.db2.gz SZIKTODGDKEABG-UHFFFAOYSA-N 1 1 375.433 1.795 20 5 GDBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1C1C[NH2+]C1 ZINC001164728967 720488519 /nfs/dbraw/zinc/48/85/19/720488519.db2.gz QENVTZXVVDPYMB-JKSUJKDBSA-N 1 1 381.440 1.320 20 5 GDBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746219 720642327 /nfs/dbraw/zinc/64/23/27/720642327.db2.gz WHHUZJVUFLUHFX-VXGBXAGGSA-N 1 1 376.804 1.775 20 5 GDBDMO Nc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164748251 720834652 /nfs/dbraw/zinc/83/46/52/720834652.db2.gz STWQRGAKNLXGFI-BZUAXINKSA-N 1 1 398.471 1.543 20 5 GDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC[C@H]2C1 ZINC001164852630 720867111 /nfs/dbraw/zinc/86/71/11/720867111.db2.gz DWJZDRHKPUOQMW-XJKSGUPXSA-N 1 1 375.429 1.645 20 5 GDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806085 721548681 /nfs/dbraw/zinc/54/86/81/721548681.db2.gz NSPZKSVYESEUCL-BPQIPLTHSA-N 1 1 384.440 1.956 20 5 GDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806085 721548682 /nfs/dbraw/zinc/54/86/82/721548682.db2.gz NSPZKSVYESEUCL-BPQIPLTHSA-N 1 1 384.440 1.956 20 5 GDBDMO O=C([O-])[C@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001594954204 954974232 /nfs/dbraw/zinc/97/42/32/954974232.db2.gz ZBBZAPYTEWBEQN-GOSISDBHSA-N 1 1 377.441 1.635 20 5 GDBDMO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000162223409 530566724 /nfs/dbraw/zinc/56/67/24/530566724.db2.gz MXSFKQOPCIFJJR-LBPRGKRZSA-N 1 1 399.289 1.971 20 5 GDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000108406570 530857261 /nfs/dbraw/zinc/85/72/61/530857261.db2.gz IMTIEJOWQSXXDQ-SNVBAGLBSA-N 1 1 392.275 1.977 20 5 GDBDMO C[NH+](C)CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000113447670 530890252 /nfs/dbraw/zinc/89/02/52/530890252.db2.gz TYEFHWSLMLSICJ-GFCCVEGCSA-N 1 1 389.861 1.439 20 5 GDBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@H+](C)CCO1 ZINC000157445959 531206549 /nfs/dbraw/zinc/20/65/49/531206549.db2.gz ZTDLYSYGYYUGBE-YGRLFVJLSA-N 1 1 386.246 1.735 20 5 GDBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@@H+](C)CCO1 ZINC000157445959 531206550 /nfs/dbraw/zinc/20/65/50/531206550.db2.gz ZTDLYSYGYYUGBE-YGRLFVJLSA-N 1 1 386.246 1.735 20 5 GDBDMO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000439250772 531318401 /nfs/dbraw/zinc/31/84/01/531318401.db2.gz VEVWBYYJUDPRNG-VIFPVBQESA-N 1 1 378.248 1.648 20 5 GDBDMO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000439250772 531318405 /nfs/dbraw/zinc/31/84/05/531318405.db2.gz VEVWBYYJUDPRNG-VIFPVBQESA-N 1 1 378.248 1.648 20 5 GDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488229539 531484543 /nfs/dbraw/zinc/48/45/43/531484543.db2.gz JTBVVQUIJRGVIW-HNNXBMFYSA-N 1 1 399.245 1.409 20 5 GDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000545464781 531492265 /nfs/dbraw/zinc/49/22/65/531492265.db2.gz KBDAKHDEZOEOLJ-UHFFFAOYSA-N 1 1 390.259 1.898 20 5 GDBDMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000581682037 531508972 /nfs/dbraw/zinc/50/89/72/531508972.db2.gz SHTIDYUJZYDKNZ-ONGXEEELSA-N 1 1 399.245 1.895 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364343448 531555438 /nfs/dbraw/zinc/55/54/38/531555438.db2.gz YKBOKHMHTIOJHI-RYUDHWBXSA-N 1 1 389.861 1.698 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364343448 531555448 /nfs/dbraw/zinc/55/54/48/531555448.db2.gz YKBOKHMHTIOJHI-RYUDHWBXSA-N 1 1 389.861 1.698 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000451674333 531664534 /nfs/dbraw/zinc/66/45/34/531664534.db2.gz YASBWQOLMSKMLF-LBPRGKRZSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000451674333 531664543 /nfs/dbraw/zinc/66/45/43/531664543.db2.gz YASBWQOLMSKMLF-LBPRGKRZSA-N 1 1 391.877 1.682 20 5 GDBDMO C[NH+](C)[C@@]1(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCSC1 ZINC000283205986 531839680 /nfs/dbraw/zinc/83/96/80/531839680.db2.gz MYFMAZAMXCTPIB-OAHLLOKOSA-N 1 1 387.483 1.165 20 5 GDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)C1 ZINC000301559709 532036896 /nfs/dbraw/zinc/03/68/96/532036896.db2.gz TXOPPWIEPKOYOQ-LBPRGKRZSA-N 1 1 384.278 1.969 20 5 GDBDMO C[N@@H+](CCn1cc(Br)cn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000288913602 532311220 /nfs/dbraw/zinc/31/12/20/532311220.db2.gz UHFFQGUBPBALCX-AWEZNQCLSA-N 1 1 399.245 1.926 20 5 GDBDMO Cn1cc(C[N@@H+]2CCCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)cn1 ZINC000737602168 598336938 /nfs/dbraw/zinc/33/69/38/598336938.db2.gz NSDHQTFYYDXXHL-UHFFFAOYSA-N 1 1 383.416 1.221 20 5 GDBDMO Cn1cc(C[N@H+]2CCCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)cn1 ZINC000737602168 598336939 /nfs/dbraw/zinc/33/69/39/598336939.db2.gz NSDHQTFYYDXXHL-UHFFFAOYSA-N 1 1 383.416 1.221 20 5 GDBDMO CCn1cc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cn1 ZINC000736721490 598501778 /nfs/dbraw/zinc/50/17/78/598501778.db2.gz CBKKNAUUPJNDHR-UHFFFAOYSA-N 1 1 398.431 1.099 20 5 GDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000738360292 598628823 /nfs/dbraw/zinc/62/88/23/598628823.db2.gz VFEYGMCFLAUWFY-GOSISDBHSA-N 1 1 395.423 1.631 20 5 GDBDMO CCOCC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1CC ZINC000736623663 598672882 /nfs/dbraw/zinc/67/28/82/598672882.db2.gz KNNOCKARZXJQND-CQSZACIVSA-N 1 1 375.433 1.712 20 5 GDBDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1-c1nn[nH]n1 ZINC000826194801 607521540 /nfs/dbraw/zinc/52/15/40/607521540.db2.gz WSIARNRARFGJGP-ZDUSSCGKSA-N 1 1 396.411 1.865 20 5 GDBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000826499301 607876830 /nfs/dbraw/zinc/87/68/30/607876830.db2.gz DHWBBEBDGDPCJY-HNNXBMFYSA-N 1 1 396.407 1.573 20 5 GDBDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000825933956 608034977 /nfs/dbraw/zinc/03/49/77/608034977.db2.gz JZMLHOGDDGMTAH-UHFFFAOYSA-N 1 1 387.404 1.024 20 5 GDBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H](C)[NH2+]1 ZINC000123881342 644700979 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CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000264145134 531170413 /nfs/dbraw/zinc/17/04/13/531170413.db2.gz QYLYGWGBEZQESD-UHFFFAOYSA-N 1 1 389.193 1.977 20 5 GDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000451630457 531652393 /nfs/dbraw/zinc/65/23/93/531652393.db2.gz LRGHNNGWYITMQJ-YGRLFVJLSA-N 1 1 383.246 1.932 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c(Cl)c1 ZINC000451653275 531654808 /nfs/dbraw/zinc/65/48/08/531654808.db2.gz AIPQGRSWJSPHNR-GFCCVEGCSA-N 1 1 377.850 1.373 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Cl)c1 ZINC000451653275 531654813 /nfs/dbraw/zinc/65/48/13/531654813.db2.gz AIPQGRSWJSPHNR-GFCCVEGCSA-N 1 1 377.850 1.373 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000451657887 531656836 /nfs/dbraw/zinc/65/68/36/531656836.db2.gz CBWCLNFYZJKBTB-GFCCVEGCSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000451657887 531656844 /nfs/dbraw/zinc/65/68/44/531656844.db2.gz CBWCLNFYZJKBTB-GFCCVEGCSA-N 1 1 391.877 1.682 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452104357 531764601 /nfs/dbraw/zinc/76/46/01/531764601.db2.gz LUXVOIARZRIYNZ-LLVKDONJSA-N 1 1 375.422 1.846 20 5 GDBDMO CS[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000456001329 531889617 /nfs/dbraw/zinc/88/96/17/531889617.db2.gz MKJUIZBPPMEFOV-KBPBESRZSA-N 1 1 387.483 1.116 20 5 GDBDMO O=[N+]([O-])c1cc(N2CC[NH+](CCOc3ccccc3)CC2)ccc1-c1nn[nH]n1 ZINC000823635346 607345394 /nfs/dbraw/zinc/34/53/94/607345394.db2.gz WGTLWNNOOQEIIB-UHFFFAOYSA-N 1 1 395.423 1.976 20 5 GDBDMO O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000738373650 598500208 /nfs/dbraw/zinc/50/02/08/598500208.db2.gz FAKCYPHDBYUZHX-UHFFFAOYSA-N 1 1 396.411 1.788 20 5 GDBDMO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000823651983 599317494 /nfs/dbraw/zinc/31/74/94/599317494.db2.gz USPKIAGOOFCCRT-UHFFFAOYSA-N 1 1 396.411 1.614 20 5 GDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)nc1 ZINC000823640121 607068996 /nfs/dbraw/zinc/06/89/96/607068996.db2.gz UCMQKQVTLHOKOK-CYBMUJFWSA-N 1 1 384.375 1.995 20 5 GDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533465845 650053239 /nfs/dbraw/zinc/05/32/39/650053239.db2.gz KWGJIHGQLISGLR-SNVBAGLBSA-N 1 1 392.275 1.977 20 5 GDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551476374 650607435 /nfs/dbraw/zinc/60/74/35/650607435.db2.gz SQKGVRBNDGOEMI-SNVBAGLBSA-N 1 1 399.245 1.848 20 5 GDBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000565836620 650817006 /nfs/dbraw/zinc/81/70/06/650817006.db2.gz VFBPUZJQIMQKKH-UHFFFAOYSA-N 1 1 399.245 1.251 20 5 GDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416288490 645900021 /nfs/dbraw/zinc/90/00/21/645900021.db2.gz DFXNDTKHZXRECS-GHMZBOCLSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416288490 645900027 /nfs/dbraw/zinc/90/00/27/645900027.db2.gz DFXNDTKHZXRECS-GHMZBOCLSA-N 1 1 386.246 1.884 20 5 GDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC(F)(F)F ZINC000420970365 645976577 /nfs/dbraw/zinc/97/65/77/645976577.db2.gz FJSRHHFRVNSBEN-NSHDSACASA-N 1 1 385.364 1.118 20 5 GDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000572504098 651098827 /nfs/dbraw/zinc/09/88/27/651098827.db2.gz ACRGJVRAXXQRCT-LLVKDONJSA-N 1 1 385.218 1.506 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595384060 652415388 /nfs/dbraw/zinc/41/53/88/652415388.db2.gz IMALSTWOGIJBFD-ZDUSSCGKSA-N 1 1 389.861 1.468 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(Cl)c1 ZINC000595384036 652415415 /nfs/dbraw/zinc/41/54/15/652415415.db2.gz HWZBEQXPNVYYCH-ZDUSSCGKSA-N 1 1 389.861 1.468 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599415743 652494095 /nfs/dbraw/zinc/49/40/95/652494095.db2.gz QRYGAOURNMZCDF-LLVKDONJSA-N 1 1 375.422 1.753 20 5 GDBDMO Cc1sc(S(=O)(=O)NCCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000603404741 652711798 /nfs/dbraw/zinc/71/17/98/652711798.db2.gz YNVQFEXKBYIHKC-UHFFFAOYSA-N 1 1 376.504 1.271 20 5 GDBDMO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCS(=O)(=O)CC1 ZINC000784399681 654885510 /nfs/dbraw/zinc/88/55/10/654885510.db2.gz RIRRQJRPPKSBNI-UHFFFAOYSA-N 1 1 390.845 1.848 20 5 GDBDMO C[NH+]1CCN(C(=O)CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000792896998 655100987 /nfs/dbraw/zinc/10/09/87/655100987.db2.gz KCOIGQKKFSYPAD-UHFFFAOYSA-N 1 1 397.273 1.489 20 5 GDBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000841524387 655336966 /nfs/dbraw/zinc/33/69/66/655336966.db2.gz MEYWAGDBUUAPEO-VIFPVBQESA-N 1 1 378.248 1.587 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1Cl ZINC000848486822 655493967 /nfs/dbraw/zinc/49/39/67/655493967.db2.gz MIOPVKSBGCVHTP-DTWKUNHWSA-N 1 1 396.252 1.341 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1Cl ZINC000848486822 655493968 /nfs/dbraw/zinc/49/39/68/655493968.db2.gz MIOPVKSBGCVHTP-DTWKUNHWSA-N 1 1 396.252 1.341 20 5 GDBDMO CC1(C)CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[NH2+]1 ZINC000850593220 655559879 /nfs/dbraw/zinc/55/98/79/655559879.db2.gz XYODKAHWDGCFRV-UHFFFAOYSA-N 1 1 378.248 1.730 20 5 GDBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214208 655842233 /nfs/dbraw/zinc/84/22/33/655842233.db2.gz JUNDMLFZJUPBFR-UHFFFAOYSA-N 1 1 399.245 1.689 20 5 GDBDMO C[N@@H+](CCO)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000899736658 659056879 /nfs/dbraw/zinc/05/68/79/659056879.db2.gz OBJKKHWYBUKPJF-UHFFFAOYSA-N 1 1 380.626 1.665 20 5 GDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1C1C[NH2+]C1 ZINC001164728960 720488730 /nfs/dbraw/zinc/48/87/30/720488730.db2.gz QENVTZXVVDPYMB-CVEARBPZSA-N 1 1 381.440 1.320 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164740880 720611571 /nfs/dbraw/zinc/61/15/71/720611571.db2.gz JNEHKBGNSQCTOH-QWHCGFSZSA-N 1 1 376.804 1.775 20 5 GDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164856861 720858178 /nfs/dbraw/zinc/85/81/78/720858178.db2.gz PQIXGLLFHFDWEV-TZMCWYRMSA-N 1 1 386.836 1.055 20 5 GDBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871033 721047190 /nfs/dbraw/zinc/04/71/90/721047190.db2.gz XZSKRQCIWUCTTP-KBPBESRZSA-N 1 1 390.831 1.913 20 5 GDBDMO COc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164868617 721062811 /nfs/dbraw/zinc/06/28/11/721062811.db2.gz OQRUTZLDWQBECQ-HOTGVXAUSA-N 1 1 385.424 1.873 20 5 GDBDMO Nc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164979028 722125880 /nfs/dbraw/zinc/12/58/80/722125880.db2.gz OTCITKPLHCXBSW-CRAIPNDOSA-N 1 1 384.440 1.694 20 5 GDBDMO Nc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979732 722137878 /nfs/dbraw/zinc/13/78/78/722137878.db2.gz LWRDXQISPVPWHW-CRAIPNDOSA-N 1 1 384.440 1.694 20 5 GDBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)CN1CC[NH+](C)CC1 ZINC000180576487 530767784 /nfs/dbraw/zinc/76/77/84/530767784.db2.gz SXPLPSSGGXQAFB-LBPRGKRZSA-N 1 1 399.289 1.971 20 5 GDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c(Cl)c1 ZINC000183741462 530820081 /nfs/dbraw/zinc/82/00/81/530820081.db2.gz UEDIIQGTLYWZSY-CQSZACIVSA-N 1 1 391.877 1.826 20 5 GDBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000190297463 530928413 /nfs/dbraw/zinc/92/84/13/530928413.db2.gz HYAQFWUZZCRRPF-UHFFFAOYSA-N 1 1 385.108 1.523 20 5 GDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000192374980 530967264 /nfs/dbraw/zinc/96/72/64/530967264.db2.gz QQHSHKYEXGNBRI-NSHDSACASA-N 1 1 386.246 1.886 20 5 GDBDMO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000151795345 531142649 /nfs/dbraw/zinc/14/26/49/531142649.db2.gz PNPHQVUTIBLARU-TXEJJXNPSA-N 1 1 377.488 1.824 20 5 GDBDMO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000151795345 531142653 /nfs/dbraw/zinc/14/26/53/531142653.db2.gz PNPHQVUTIBLARU-TXEJJXNPSA-N 1 1 377.488 1.824 20 5 GDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000267484939 531428060 /nfs/dbraw/zinc/42/80/60/531428060.db2.gz URTFGYFBYVXRCH-WDEREUQCSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000267484939 531428063 /nfs/dbraw/zinc/42/80/63/531428063.db2.gz URTFGYFBYVXRCH-WDEREUQCSA-N 1 1 386.246 1.884 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000365932509 531696353 /nfs/dbraw/zinc/69/63/53/531696353.db2.gz VQJYXVXWHIYPFJ-VXGBXAGGSA-N 1 1 389.861 1.698 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000365932509 531696362 /nfs/dbraw/zinc/69/63/62/531696362.db2.gz VQJYXVXWHIYPFJ-VXGBXAGGSA-N 1 1 389.861 1.698 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452104359 531764134 /nfs/dbraw/zinc/76/41/34/531764134.db2.gz LUXVOIARZRIYNZ-NSHDSACASA-N 1 1 375.422 1.846 20 5 GDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)s1 ZINC000596538603 531923809 /nfs/dbraw/zinc/92/38/09/531923809.db2.gz MQEWWOFYDYRYTC-NSHDSACASA-N 1 1 375.472 1.095 20 5 GDBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)s1 ZINC000596538603 531923817 /nfs/dbraw/zinc/92/38/17/531923817.db2.gz MQEWWOFYDYRYTC-NSHDSACASA-N 1 1 375.472 1.095 20 5 GDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000301671007 532038568 /nfs/dbraw/zinc/03/85/68/532038568.db2.gz FKKRUHQXQZGNMD-ZDUSSCGKSA-N 1 1 384.278 1.969 20 5 GDBDMO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273371544 532146604 /nfs/dbraw/zinc/14/66/04/532146604.db2.gz AQLBSTIJGHSWDM-LSDHHAIUSA-N 1 1 390.483 1.314 20 5 GDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000738359432 599044774 /nfs/dbraw/zinc/04/47/74/599044774.db2.gz RGGKBUUVBOVXFZ-LJQANCHMSA-N 1 1 395.423 1.824 20 5 GDBDMO CCn1cc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cn1 ZINC000736723630 598673771 /nfs/dbraw/zinc/67/37/71/598673771.db2.gz WQKYKHLBESCJQD-UHFFFAOYSA-N 1 1 397.443 1.704 20 5 GDBDMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551496431 650607740 /nfs/dbraw/zinc/60/77/40/650607740.db2.gz VBDHJCQDBSPELX-VIFPVBQESA-N 1 1 385.218 1.364 20 5 GDBDMO [NH3+]CC(F)(F)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000567732672 650917135 /nfs/dbraw/zinc/91/71/35/650917135.db2.gz MFAMBZWMRNJMSS-UHFFFAOYSA-N 1 1 385.108 1.523 20 5 GDBDMO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 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C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H](C)[N@H+]1CCO ZINC000839782496 655264798 /nfs/dbraw/zinc/26/47/98/655264798.db2.gz LEZDYIYHRFOEAO-PHIMTYICSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H](C)[N@@H+]1CCO ZINC000839782496 655264800 /nfs/dbraw/zinc/26/48/00/655264800.db2.gz LEZDYIYHRFOEAO-PHIMTYICSA-N 1 1 386.246 1.884 20 5 GDBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010175 655277616 /nfs/dbraw/zinc/27/76/16/655277616.db2.gz UVKMPMGAHMFIOW-UHFFFAOYSA-N 1 1 396.872 1.501 20 5 GDBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000849446918 655537250 /nfs/dbraw/zinc/53/72/50/655537250.db2.gz DVBCOOIZCVOMAY-UHFFFAOYSA-N 1 1 378.248 1.539 20 5 GDBDMO C[C@]12C[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC000877668640 656686589 /nfs/dbraw/zinc/68/65/89/656686589.db2.gz LUUNIWOTAUBJCN-GASCZTMLSA-N 1 1 382.214 1.842 20 5 GDBDMO C[C@]12C[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O 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720706866 /nfs/dbraw/zinc/70/68/66/720706866.db2.gz ALLIWKCSGDSHCR-NWDGAFQWSA-N 1 1 392.803 1.014 20 5 GDBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164738167 720721029 /nfs/dbraw/zinc/72/10/29/720721029.db2.gz DWSBFNCNIBMBRK-OLZOCXBDSA-N 1 1 381.396 1.603 20 5 GDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c21 ZINC001164745347 720800975 /nfs/dbraw/zinc/80/09/75/720800975.db2.gz JYZIOICLAMHPLY-ZIAGYGMSSA-N 1 1 393.407 1.670 20 5 GDBDMO COCC[N@H+]1CCO[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC[C@H]2C1 ZINC001164854748 720841760 /nfs/dbraw/zinc/84/17/60/720841760.db2.gz SCGZQPBUBVXDOH-KSSFIOAISA-N 1 1 387.440 1.712 20 5 GDBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164850998 720844916 /nfs/dbraw/zinc/84/49/16/720844916.db2.gz GGBRCJBNPIQPGT-DOMZBBRYSA-N 1 1 381.389 1.072 20 5 GDBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4F)C3)O2)CC1 ZINC001164886297 721402268 /nfs/dbraw/zinc/40/22/68/721402268.db2.gz ISIVODBOCJJCBW-VQIMIIECSA-N 1 1 393.463 1.894 20 5 GDBDMO Nc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164976573 722126201 /nfs/dbraw/zinc/12/62/01/722126201.db2.gz LVEYSRJHEFXDCQ-RDJZCZTQSA-N 1 1 384.440 1.694 20 5 GDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826498195 948412857 /nfs/dbraw/zinc/41/28/57/948412857.db2.gz KWUHRQLBWNYJQL-INIZCTEOSA-N 1 1 396.411 1.026 20 5 GDBDMO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000176367560 530682523 /nfs/dbraw/zinc/68/25/23/530682523.db2.gz INORMPSOASUWQJ-VIFPVBQESA-N 1 1 387.234 1.610 20 5 GDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000176367560 530682525 /nfs/dbraw/zinc/68/25/25/530682525.db2.gz INORMPSOASUWQJ-VIFPVBQESA-N 1 1 387.234 1.610 20 5 GDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000096474991 530818211 /nfs/dbraw/zinc/81/82/11/530818211.db2.gz OVEUTOWGQRBPDI-LLVKDONJSA-N 1 1 390.225 1.857 20 5 GDBDMO COCC[N@@H+](C)CCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110203008 530866563 /nfs/dbraw/zinc/86/65/63/530866563.db2.gz CYBLVMWKKBFWAZ-UHFFFAOYSA-N 1 1 381.401 1.971 20 5 GDBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000187249131 530869505 /nfs/dbraw/zinc/86/95/05/530869505.db2.gz HBZYYQHKWLFPFJ-LLVKDONJSA-N 1 1 375.422 1.705 20 5 GDBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000124811987 530999818 /nfs/dbraw/zinc/99/98/18/530999818.db2.gz DDYRQJITZUGBAA-AOOOYVTPSA-N 1 1 390.259 1.872 20 5 GDBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291915992 531322652 /nfs/dbraw/zinc/32/26/52/531322652.db2.gz LIHQNEVQJWKTKM-UHFFFAOYSA-N 1 1 389.239 1.796 20 5 GDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269304855 531640223 /nfs/dbraw/zinc/64/02/23/531640223.db2.gz ZRURITSDHBDMIP-ZDUSSCGKSA-N 1 1 399.245 1.427 20 5 GDBDMO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000564966879 531870560 /nfs/dbraw/zinc/87/05/60/531870560.db2.gz MUHKPBDKCLNHIA-VIFPVBQESA-N 1 1 383.257 1.084 20 5 GDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301712813 532037773 /nfs/dbraw/zinc/03/77/73/532037773.db2.gz YLXBYCPALRVBAB-SNVBAGLBSA-N 1 1 386.250 1.752 20 5 GDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301821600 532039366 /nfs/dbraw/zinc/03/93/66/532039366.db2.gz MFVAEUPZPZEPJD-ZDUSSCGKSA-N 1 1 398.261 1.671 20 5 GDBDMO C[N@@H+](CCn1cc(Br)cn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000288825709 532308789 /nfs/dbraw/zinc/30/87/89/532308789.db2.gz NMDCRXDENWINOM-CYBMUJFWSA-N 1 1 399.245 1.926 20 5 GDBDMO O=[N+]([O-])c1ccc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000826498804 607451287 /nfs/dbraw/zinc/45/12/87/607451287.db2.gz KICFNUFLUSPGGP-INIZCTEOSA-N 1 1 395.423 1.606 20 5 GDBDMO Cc1cc(N2CCC(Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)nc(C)[nH+]1 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ZINC000867680789 656101866 /nfs/dbraw/zinc/10/18/66/656101866.db2.gz GZQNJIWSNQKMNE-UHFFFAOYSA-N 1 1 375.422 1.847 20 5 GDBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931487507 657103086 /nfs/dbraw/zinc/10/30/86/657103086.db2.gz CQQHARPGSSFAAN-UHFFFAOYSA-N 1 1 385.262 1.563 20 5 GDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)[C@@H]1C[N@@H+](C)CCN1C ZINC000896540619 658787136 /nfs/dbraw/zinc/78/71/36/658787136.db2.gz GFNIPWPSVURRDC-SKDRFNHKSA-N 1 1 386.250 1.116 20 5 GDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896563647 658790323 /nfs/dbraw/zinc/79/03/23/658790323.db2.gz NRWOIWUOGQTLJF-IINYFYTJSA-N 1 1 385.262 1.721 20 5 GDBDMO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000898436430 658935828 /nfs/dbraw/zinc/93/58/28/658935828.db2.gz FDCHQJLBTNAULK-JGVFFNPUSA-N 1 1 378.187 1.932 20 5 GDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC000903215169 659302863 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RDQAQCSXQABMAD-UHFFFAOYSA-N 1 1 391.877 1.716 20 5 GDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000152664156 531154809 /nfs/dbraw/zinc/15/48/09/531154809.db2.gz RICQKMGQPSIJRX-LBPRGKRZSA-N 1 1 399.289 1.652 20 5 GDBDMO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000520778090 531235666 /nfs/dbraw/zinc/23/56/66/531235666.db2.gz XITGGBREBOMIAO-UHFFFAOYSA-N 1 1 377.488 1.824 20 5 GDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c(F)c1 ZINC000478238650 531341595 /nfs/dbraw/zinc/34/15/95/531341595.db2.gz WLUPXWPVJNPGFP-CQSZACIVSA-N 1 1 375.422 1.312 20 5 GDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ccc(Br)cc3C2)c1 ZINC000551750258 531546980 /nfs/dbraw/zinc/54/69/80/531546980.db2.gz PCEVUCICTNWZOG-HNNXBMFYSA-N 1 1 381.230 1.973 20 5 GDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccc(Br)cc3C2)c1 ZINC000551750258 531546987 /nfs/dbraw/zinc/54/69/87/531546987.db2.gz PCEVUCICTNWZOG-HNNXBMFYSA-N 1 1 381.230 1.973 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364343449 531555495 /nfs/dbraw/zinc/55/54/95/531555495.db2.gz YKBOKHMHTIOJHI-VXGBXAGGSA-N 1 1 389.861 1.698 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364343449 531555500 /nfs/dbraw/zinc/55/55/00/531555500.db2.gz YKBOKHMHTIOJHI-VXGBXAGGSA-N 1 1 389.861 1.698 20 5 GDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000366508385 531752626 /nfs/dbraw/zinc/75/26/26/531752626.db2.gz OOXIYYZNKUXART-GXTWGEPZSA-N 1 1 384.230 1.950 20 5 GDBDMO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599502659 532032371 /nfs/dbraw/zinc/03/23/71/532032371.db2.gz DOZMOBIWVXXAET-JTQLQIEISA-N 1 1 378.248 1.730 20 5 GDBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599502659 532032387 /nfs/dbraw/zinc/03/23/87/532032387.db2.gz DOZMOBIWVXXAET-JTQLQIEISA-N 1 1 378.248 1.730 20 5 GDBDMO CSC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH+](C)CC1 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NTUSBSJEZVCPPW-SNVBAGLBSA-N 1 1 399.245 1.754 20 5 GDBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000331193800 645477226 /nfs/dbraw/zinc/47/72/26/645477226.db2.gz SDOCZCOAKYBFNG-UHFFFAOYSA-N 1 1 386.246 1.886 20 5 GDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000371775807 645759897 /nfs/dbraw/zinc/75/98/97/645759897.db2.gz DYHQGCLLAZICOC-NEPJUHHUSA-N 1 1 384.230 1.950 20 5 GDBDMO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC1 ZINC000512708720 648413116 /nfs/dbraw/zinc/41/31/16/648413116.db2.gz SDENRLXVOSJYPM-UHFFFAOYSA-N 1 1 389.193 1.943 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594477387 652303979 /nfs/dbraw/zinc/30/39/79/652303979.db2.gz DGIOFZWEBKLCKV-VHSXEESVSA-N 1 1 396.252 1.341 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594477387 652303985 /nfs/dbraw/zinc/30/39/85/652303985.db2.gz DGIOFZWEBKLCKV-VHSXEESVSA-N 1 1 396.252 1.341 20 5 GDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000611515560 652919670 /nfs/dbraw/zinc/91/96/70/652919670.db2.gz DYXZNQFTIOFCFK-UHFFFAOYSA-N 1 1 386.246 1.886 20 5 GDBDMO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000810365219 655156680 /nfs/dbraw/zinc/15/66/80/655156680.db2.gz GTMSTXBGOXAPLP-JTQLQIEISA-N 1 1 397.229 1.649 20 5 GDBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000842859839 655381355 /nfs/dbraw/zinc/38/13/55/655381355.db2.gz VKFMJFAOAZCONV-GFCCVEGCSA-N 1 1 391.833 1.082 20 5 GDBDMO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847158576 655465827 /nfs/dbraw/zinc/46/58/27/655465827.db2.gz APUFDGXACRGEHE-WDEREUQCSA-N 1 1 385.218 1.640 20 5 GDBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000865059142 655911176 /nfs/dbraw/zinc/91/11/76/655911176.db2.gz LAVHHIQHEMYDMB-STQMWFEESA-N 1 1 398.257 1.879 20 5 GDBDMO 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GGOZPADQFJLTNI-RYUDHWBXSA-N 1 1 375.834 1.390 20 5 GDBDMO Cc1c(NC(=O)N2CC[NH+](CCO)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280826545 531546492 /nfs/dbraw/zinc/54/64/92/531546492.db2.gz UPAVCQBHYMSNAU-UHFFFAOYSA-N 1 1 387.234 1.808 20 5 GDBDMO C[C@H]1C[C@@H](Nc2c(I)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000418883601 531860289 /nfs/dbraw/zinc/86/02/89/531860289.db2.gz VGORMDWDROMKMG-IUCAKERBSA-N 1 1 376.198 1.911 20 5 GDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301519949 532034671 /nfs/dbraw/zinc/03/46/71/532034671.db2.gz GNPMIUDEWHTCIS-SNVBAGLBSA-N 1 1 386.250 1.752 20 5 GDBDMO CCC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000599498041 532033404 /nfs/dbraw/zinc/03/34/04/532033404.db2.gz ODULFOXHAJEWJT-UHFFFAOYSA-N 1 1 389.499 1.922 20 5 GDBDMO COC(=O)[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000425466688 532139945 /nfs/dbraw/zinc/13/99/45/532139945.db2.gz BWEMZWXRWDBFOF-GFCCVEGCSA-N 1 1 386.246 1.894 20 5 GDBDMO C[N@H+](CCn1cc(Br)cn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000288949912 532311970 /nfs/dbraw/zinc/31/19/70/532311970.db2.gz XKPWDCFXGOJYRY-UHFFFAOYSA-N 1 1 382.218 1.785 20 5 GDBDMO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000288949912 532311971 /nfs/dbraw/zinc/31/19/71/532311971.db2.gz XKPWDCFXGOJYRY-UHFFFAOYSA-N 1 1 382.218 1.785 20 5 GDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826502131 608463372 /nfs/dbraw/zinc/46/33/72/608463372.db2.gz VITKDMQMAHBTRP-UHFFFAOYSA-N 1 1 393.407 1.726 20 5 GDBDMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119685053 644660900 /nfs/dbraw/zinc/66/09/00/644660900.db2.gz SZILVDYOZBLGIZ-CYBMUJFWSA-N 1 1 390.531 1.693 20 5 GDBDMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119685053 644660903 /nfs/dbraw/zinc/66/09/03/644660903.db2.gz SZILVDYOZBLGIZ-CYBMUJFWSA-N 1 1 390.531 1.693 20 5 GDBDMO O=C(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)NCC1CC1 ZINC000568645257 650965968 /nfs/dbraw/zinc/96/59/68/650965968.db2.gz UHFNEPRKLGNCIX-UHFFFAOYSA-N 1 1 389.193 1.815 20 5 GDBDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[N@H+](C)C1 ZINC000330522670 645369888 /nfs/dbraw/zinc/36/98/88/645369888.db2.gz SJYRWHDFDHJCEQ-RYUDHWBXSA-N 1 1 377.850 1.588 20 5 GDBDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000330522670 645369891 /nfs/dbraw/zinc/36/98/91/645369891.db2.gz SJYRWHDFDHJCEQ-RYUDHWBXSA-N 1 1 377.850 1.588 20 5 GDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416288502 645900232 /nfs/dbraw/zinc/90/02/32/645900232.db2.gz DFXNDTKHZXRECS-QWRGUYRKSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416288502 645900235 /nfs/dbraw/zinc/90/02/35/645900235.db2.gz DFXNDTKHZXRECS-QWRGUYRKSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416309457 645902118 /nfs/dbraw/zinc/90/21/18/645902118.db2.gz NDEHXFUZIQRAAP-GHMZBOCLSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416309457 645902121 /nfs/dbraw/zinc/90/21/21/645902121.db2.gz NDEHXFUZIQRAAP-GHMZBOCLSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416309459 645902153 /nfs/dbraw/zinc/90/21/53/645902153.db2.gz NDEHXFUZIQRAAP-QWRGUYRKSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416309459 645902156 /nfs/dbraw/zinc/90/21/56/645902156.db2.gz NDEHXFUZIQRAAP-QWRGUYRKSA-N 1 1 386.246 1.884 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000920001916 660263067 /nfs/dbraw/zinc/26/30/67/660263067.db2.gz YBBUHYJXAWYRNT-RISCZKNCSA-N 1 1 390.893 1.469 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000920001916 660263068 /nfs/dbraw/zinc/26/30/68/660263068.db2.gz YBBUHYJXAWYRNT-RISCZKNCSA-N 1 1 390.893 1.469 20 5 GDBDMO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+]1CCCC1 ZINC000445716447 647271884 /nfs/dbraw/zinc/27/18/84/647271884.db2.gz QGKOKFPQCIMDIY-GHMZBOCLSA-N 1 1 377.513 1.857 20 5 GDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589926503 652121371 /nfs/dbraw/zinc/12/13/71/652121371.db2.gz VJLVREFBCZRRQR-BXKDBHETSA-N 1 1 390.259 1.682 20 5 GDBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000597624807 652455099 /nfs/dbraw/zinc/45/50/99/652455099.db2.gz LOZMHUOUZUNKGH-GFCCVEGCSA-N 1 1 383.246 1.477 20 5 GDBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599176756 652480064 /nfs/dbraw/zinc/48/00/64/652480064.db2.gz WSECIOQPNIKWRT-LLVKDONJSA-N 1 1 381.230 1.806 20 5 GDBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599910588 652517950 /nfs/dbraw/zinc/51/79/50/652517950.db2.gz OMTJNIPANAYDTD-LLVKDONJSA-N 1 1 383.246 1.477 20 5 GDBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000609418461 652844175 /nfs/dbraw/zinc/84/41/75/652844175.db2.gz LCHAZJIDRKHBOY-JTQLQIEISA-N 1 1 378.248 1.730 20 5 GDBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000609418461 652844178 /nfs/dbraw/zinc/84/41/78/652844178.db2.gz LCHAZJIDRKHBOY-JTQLQIEISA-N 1 1 378.248 1.730 20 5 GDBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000841524386 655336911 /nfs/dbraw/zinc/33/69/11/655336911.db2.gz MEYWAGDBUUAPEO-SECBINFHSA-N 1 1 378.248 1.587 20 5 GDBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc([N+](=O)[O-])cc1N)CCC2 ZINC001164813835 720235191 /nfs/dbraw/zinc/23/51/91/720235191.db2.gz PWHAICCUVSRPOM-UHFFFAOYSA-N 1 1 387.444 1.379 20 5 GDBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744366 720613237 /nfs/dbraw/zinc/61/32/37/720613237.db2.gz RUKMKRQDGAKJQK-GHMZBOCLSA-N 1 1 377.792 1.170 20 5 GDBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744371 720613594 /nfs/dbraw/zinc/61/35/94/720613594.db2.gz RUKMKRQDGAKJQK-QWRGUYRKSA-N 1 1 377.792 1.170 20 5 GDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cnc2c1 ZINC001164738628 720645470 /nfs/dbraw/zinc/64/54/70/720645470.db2.gz CGAGKSILIUOWBS-CABCVRRESA-N 1 1 393.407 1.670 20 5 GDBDMO O=[N+]([O-])c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741758 720810947 /nfs/dbraw/zinc/81/09/47/720810947.db2.gz BWIADELMOLYAGF-RYQLBKOJSA-N 1 1 383.456 1.961 20 5 GDBDMO O=[N+]([O-])c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741754 720811232 /nfs/dbraw/zinc/81/12/32/720811232.db2.gz BWIADELMOLYAGF-KBAYOESNSA-N 1 1 383.456 1.961 20 5 GDBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884481 721405929 /nfs/dbraw/zinc/40/59/29/721405929.db2.gz DIUGVAAKFXWIJC-LPHOPBHVSA-N 1 1 390.488 1.459 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164786528 721417287 /nfs/dbraw/zinc/41/72/87/721417287.db2.gz PCCVEBSSDVJBNX-QWRGUYRKSA-N 1 1 381.845 1.906 20 5 GDBDMO COc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c([N+](=O)[O-])c1 ZINC001164997183 722232801 /nfs/dbraw/zinc/23/28/01/722232801.db2.gz NPDNRNWQSHSRSW-UHFFFAOYSA-N 1 1 399.455 1.145 20 5 GDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000179414070 530740357 /nfs/dbraw/zinc/74/03/57/530740357.db2.gz GJHZJSSEPQGNBV-LLVKDONJSA-N 1 1 386.246 1.886 20 5 GDBDMO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000184685569 530830553 /nfs/dbraw/zinc/83/05/53/530830553.db2.gz AFYWRBCHPRCLAI-SNVBAGLBSA-N 1 1 399.245 1.672 20 5 GDBDMO Cc1c(Br)cc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000124185780 530992344 /nfs/dbraw/zinc/99/23/44/530992344.db2.gz YFEZGSMFESVEPI-QMMMGPOBSA-N 1 1 378.248 1.648 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC000124855839 531000504 /nfs/dbraw/zinc/00/05/04/531000504.db2.gz MLSCHDSTHKCBSW-AOOOYVTPSA-N 1 1 390.259 1.872 20 5 GDBDMO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)CS(C)(=O)=O ZINC000128634564 531043115 /nfs/dbraw/zinc/04/31/15/531043115.db2.gz YGRDMRGNPXIISN-LLVKDONJSA-N 1 1 375.422 1.818 20 5 GDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)CS(C)(=O)=O ZINC000128634564 531043118 /nfs/dbraw/zinc/04/31/18/531043118.db2.gz YGRDMRGNPXIISN-LLVKDONJSA-N 1 1 375.422 1.818 20 5 GDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000261825038 531100179 /nfs/dbraw/zinc/10/01/79/531100179.db2.gz YKKURAFNCVCUSV-CYBMUJFWSA-N 1 1 394.229 1.878 20 5 GDBDMO COc1c(S(=O)(=O)N2CC[NH2+]CC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000262817782 531131789 /nfs/dbraw/zinc/13/17/89/531131789.db2.gz ZXISMEBWMOFZGZ-UHFFFAOYSA-N 1 1 394.247 1.268 20 5 GDBDMO C[NH+]1CCN(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000473932929 531264189 /nfs/dbraw/zinc/26/41/89/531264189.db2.gz OANDOMLHLQKXJE-UHFFFAOYSA-N 1 1 397.284 1.427 20 5 GDBDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCO1 ZINC000277869240 531316850 /nfs/dbraw/zinc/31/68/50/531316850.db2.gz NKYHWVPAORBZFA-GFCCVEGCSA-N 1 1 375.422 1.513 20 5 GDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000294471427 531480927 /nfs/dbraw/zinc/48/09/27/531480927.db2.gz AXIZTXMOTDIQEH-QMTHXVAHSA-N 1 1 386.246 1.884 20 5 GDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488229540 531484461 /nfs/dbraw/zinc/48/44/61/531484461.db2.gz JTBVVQUIJRGVIW-OAHLLOKOSA-N 1 1 399.245 1.409 20 5 GDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295149419 531528381 /nfs/dbraw/zinc/52/83/81/531528381.db2.gz ARLXILXXXSWNMG-LBPRGKRZSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000295149419 531528387 /nfs/dbraw/zinc/52/83/87/531528387.db2.gz ARLXILXXXSWNMG-LBPRGKRZSA-N 1 1 391.877 1.682 20 5 GDBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000490742500 531542396 /nfs/dbraw/zinc/54/23/96/531542396.db2.gz LLUHVYNZTOTPNP-NSHDSACASA-N 1 1 375.422 1.753 20 5 GDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551765344 531547543 /nfs/dbraw/zinc/54/75/43/531547543.db2.gz GIGVQGRWOFITQC-GFCCVEGCSA-N 1 1 399.245 1.896 20 5 GDBDMO Cc1c(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000281167730 531587510 /nfs/dbraw/zinc/58/75/10/531587510.db2.gz QCFIDYFMRXQVCF-UHFFFAOYSA-N 1 1 399.245 1.815 20 5 GDBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCN(CCCO)C1 ZINC000451666503 531658532 /nfs/dbraw/zinc/65/85/32/531658532.db2.gz HEFICKZPRNUWLG-NSHDSACASA-N 1 1 377.850 1.373 20 5 GDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000591328823 531716917 /nfs/dbraw/zinc/71/69/17/531716917.db2.gz QDJPINBRBVHYMK-CABZTGNLSA-N 1 1 379.360 1.938 20 5 GDBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] 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C[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000123887971 530988614 /nfs/dbraw/zinc/98/86/14/530988614.db2.gz ABJLICKOENKBKZ-IUCAKERBSA-N 1 1 378.248 1.728 20 5 GDBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000265695313 531279880 /nfs/dbraw/zinc/27/98/80/531279880.db2.gz HVKKRYZDEFQQFZ-UHFFFAOYSA-N 1 1 399.245 1.298 20 5 GDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267947276 531463010 /nfs/dbraw/zinc/46/30/10/531463010.db2.gz VCOOGPWGNKCUPA-SNVBAGLBSA-N 1 1 390.209 1.947 20 5 GDBDMO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000281211418 531592715 /nfs/dbraw/zinc/59/27/15/531592715.db2.gz SLPFATQSYQYCIC-NSHDSACASA-N 1 1 399.245 1.815 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416553419 531675203 /nfs/dbraw/zinc/67/52/03/531675203.db2.gz IRLNTSLTNXHUAZ-NSHDSACASA-N 1 1 375.422 1.753 20 5 GDBDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 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O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826498196 948413279 /nfs/dbraw/zinc/41/32/79/948413279.db2.gz KWUHRQLBWNYJQL-MRXNPFEDSA-N 1 1 396.411 1.026 20 5 GDBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCO ZINC000188742960 530900196 /nfs/dbraw/zinc/90/01/96/530900196.db2.gz ZQZOVGMPUSOFCH-NSHDSACASA-N 1 1 386.246 1.425 20 5 GDBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1CCO ZINC000188742960 530900197 /nfs/dbraw/zinc/90/01/97/530900197.db2.gz ZQZOVGMPUSOFCH-NSHDSACASA-N 1 1 386.246 1.425 20 5 GDBDMO COCCC[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120508012 530941686 /nfs/dbraw/zinc/94/16/86/530941686.db2.gz FCNKKXQHJVUBJN-UHFFFAOYSA-N 1 1 388.262 1.984 20 5 GDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000290374903 531228680 /nfs/dbraw/zinc/22/86/80/531228680.db2.gz BLELBYFKCORDRC-UHFFFAOYSA-N 1 1 387.278 1.971 20 5 GDBDMO CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br)CC[NH+](C)C ZINC000290374903 531228687 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ZINC000737151061 598551299 /nfs/dbraw/zinc/55/12/99/598551299.db2.gz WURLDGGRLWASFZ-UHFFFAOYSA-N 1 1 396.411 1.501 20 5 GDBDMO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826158738 607553870 /nfs/dbraw/zinc/55/38/70/607553870.db2.gz ANRJZIYQUPZPNJ-GOSISDBHSA-N 1 1 398.423 1.957 20 5 GDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000823639563 606926912 /nfs/dbraw/zinc/92/69/12/606926912.db2.gz DRNUVSPSHRTFNZ-GOEBONIOSA-N 1 1 396.411 1.390 20 5 GDBDMO Cc1c(Br)c(NC[C@@](C)(O)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000544396504 650439341 /nfs/dbraw/zinc/43/93/41/650439341.db2.gz FUWVATAUUMOIJA-CQSZACIVSA-N 1 1 389.250 1.556 20 5 GDBDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000108400093 644618483 /nfs/dbraw/zinc/61/84/83/644618483.db2.gz NQWDZDHDHJMBIC-GFCCVEGCSA-N 1 1 377.850 1.637 20 5 GDBDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000108400093 644618486 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CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(Br)nc2[N+](=O)[O-])CC1 ZINC000871693665 656276840 /nfs/dbraw/zinc/27/68/40/656276840.db2.gz QGYPPJHRIHNNEW-SNVBAGLBSA-N 1 1 387.234 1.684 20 5 GDBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756843 658033857 /nfs/dbraw/zinc/03/38/57/658033857.db2.gz RCZZOZKVXSKLQB-OLZOCXBDSA-N 1 1 399.245 1.424 20 5 GDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896549086 658788593 /nfs/dbraw/zinc/78/85/93/658788593.db2.gz MPPVQXMCMHDYEK-GXFFZTMASA-N 1 1 385.262 1.721 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1Br ZINC000903213920 659303131 /nfs/dbraw/zinc/30/31/31/659303131.db2.gz QHKUDBVTYVSMKH-JTQLQIEISA-N 1 1 390.259 1.826 20 5 GDBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833335 720509326 /nfs/dbraw/zinc/50/93/26/720509326.db2.gz DFKHNFCDNKTIAR-RYQLBKOJSA-N 1 1 386.456 1.803 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164740878 720613398 /nfs/dbraw/zinc/61/33/98/720613398.db2.gz JNEHKBGNSQCTOH-OLZOCXBDSA-N 1 1 376.804 1.775 20 5 GDBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164737546 720659903 /nfs/dbraw/zinc/65/99/03/720659903.db2.gz GAZAGYZWFNFZNP-CHWSQXEVSA-N 1 1 387.356 1.030 20 5 GDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC[C@@H]2C1 ZINC001164854749 720841583 /nfs/dbraw/zinc/84/15/83/720841583.db2.gz SCGZQPBUBVXDOH-RDTXWAMCSA-N 1 1 387.440 1.712 20 5 GDBDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747116 720855453 /nfs/dbraw/zinc/85/54/53/720855453.db2.gz HYCWULGHJMGDNS-YESZJQIVSA-N 1 1 398.471 1.664 20 5 GDBDMO COCC[N@H+]1CCO[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164856857 720858109 /nfs/dbraw/zinc/85/81/09/720858109.db2.gz PQIXGLLFHFDWEV-JSGCOSHPSA-N 1 1 386.836 1.055 20 5 GDBDMO 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O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000533634883 650211547 /nfs/dbraw/zinc/21/15/47/650211547.db2.gz WENJUSROPGNWPJ-VIFPVBQESA-N 1 1 390.259 1.872 20 5 GDBDMO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119685193 644661713 /nfs/dbraw/zinc/66/17/13/644661713.db2.gz SZILVDYOZBLGIZ-ZDUSSCGKSA-N 1 1 390.531 1.693 20 5 GDBDMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119685193 644661726 /nfs/dbraw/zinc/66/17/26/644661726.db2.gz SZILVDYOZBLGIZ-ZDUSSCGKSA-N 1 1 390.531 1.693 20 5 GDBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000171406312 644875148 /nfs/dbraw/zinc/87/51/48/644875148.db2.gz URUVOSLLVWKTBN-UHFFFAOYSA-N 1 1 396.263 1.214 20 5 GDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000370337246 645684699 /nfs/dbraw/zinc/68/46/99/645684699.db2.gz IRBFXOTZWFMYIK-KGLIPLIRSA-N 1 1 398.257 1.879 20 5 GDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452384737 647322149 /nfs/dbraw/zinc/32/21/49/647322149.db2.gz CAQIEAFBSRQSCB-LBPRGKRZSA-N 1 1 386.246 1.934 20 5 GDBDMO C[NH+](C)CCOCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000471642350 647749874 /nfs/dbraw/zinc/74/98/74/647749874.db2.gz CDFHZLFXPZILHQ-UHFFFAOYSA-N 1 1 386.257 1.758 20 5 GDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000609450172 652844341 /nfs/dbraw/zinc/84/43/41/652844341.db2.gz GNBCTEFGJHFAID-SECBINFHSA-N 1 1 389.193 1.976 20 5 GDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000609450172 652844349 /nfs/dbraw/zinc/84/43/49/652844349.db2.gz GNBCTEFGJHFAID-SECBINFHSA-N 1 1 389.193 1.976 20 5 GDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610409237 652883388 /nfs/dbraw/zinc/88/33/88/652883388.db2.gz BCMCIGIPKKKGGS-SNVBAGLBSA-N 1 1 392.275 1.977 20 5 GDBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000733367964 654508771 /nfs/dbraw/zinc/50/87/71/654508771.db2.gz OUWDXUGXAAKNGS-GFCCVEGCSA-N 1 1 389.861 1.439 20 5 GDBDMO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000775576254 654668694 /nfs/dbraw/zinc/66/86/94/654668694.db2.gz NHBXNOURTDFRDJ-SECBINFHSA-N 1 1 378.248 1.730 20 5 GDBDMO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000775576254 654668696 /nfs/dbraw/zinc/66/86/96/654668696.db2.gz NHBXNOURTDFRDJ-SECBINFHSA-N 1 1 378.248 1.730 20 5 GDBDMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000779892414 654772089 /nfs/dbraw/zinc/77/20/89/654772089.db2.gz IJGWVQYTWLZPAT-GFCCVEGCSA-N 1 1 391.877 1.946 20 5 GDBDMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000779892414 654772091 /nfs/dbraw/zinc/77/20/91/654772091.db2.gz IJGWVQYTWLZPAT-GFCCVEGCSA-N 1 1 391.877 1.946 20 5 GDBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831973 655140137 /nfs/dbraw/zinc/14/01/37/655140137.db2.gz JXEZNDOKXOOZJH-UHFFFAOYSA-N 1 1 386.257 1.494 20 5 GDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000762720401 655175269 /nfs/dbraw/zinc/17/52/69/655175269.db2.gz VOYYATSMYIOPJU-CYBMUJFWSA-N 1 1 392.637 1.807 20 5 GDBDMO C[N@@H+]1CC[C@](O)(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000762816171 655177640 /nfs/dbraw/zinc/17/76/40/655177640.db2.gz NAYDUYGGHIENCM-LBPRGKRZSA-N 1 1 383.348 1.367 20 5 GDBDMO C[N@H+]1CC[C@](O)(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000762816171 655177641 /nfs/dbraw/zinc/17/76/41/655177641.db2.gz NAYDUYGGHIENCM-LBPRGKRZSA-N 1 1 383.348 1.367 20 5 GDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)[C@@H]2C1 ZINC000813738245 655244163 /nfs/dbraw/zinc/24/41/63/655244163.db2.gz DYJDHTWPIYYXGR-JOYOIKCWSA-N 1 1 390.259 1.682 20 5 GDBDMO COC(=O)[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000839629947 655258365 /nfs/dbraw/zinc/25/83/65/655258365.db2.gz DXTADLGGSOWMKL-LBPRGKRZSA-N 1 1 386.246 1.894 20 5 GDBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000865059136 655911156 /nfs/dbraw/zinc/91/11/56/655911156.db2.gz LAVHHIQHEMYDMB-OLZOCXBDSA-N 1 1 398.257 1.879 20 5 GDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865189330 655914107 /nfs/dbraw/zinc/91/41/07/655914107.db2.gz GFOKWPUDNVYYMV-LLVKDONJSA-N 1 1 386.246 1.425 20 5 GDBDMO C[NH+]1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000866213638 655936188 /nfs/dbraw/zinc/93/61/88/655936188.db2.gz ZDHJOBUZBBKUOZ-UHFFFAOYSA-N 1 1 384.278 1.969 20 5 GDBDMO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c([N+](=O)[O-])s1 ZINC000867859634 656126639 /nfs/dbraw/zinc/12/66/39/656126639.db2.gz VWZGAMUCJLABOZ-UHFFFAOYSA-N 1 1 389.499 1.698 20 5 GDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Br)C[C@@H](O)C[NH+]1CCOCC1 ZINC000929813305 656986366 /nfs/dbraw/zinc/98/63/66/656986366.db2.gz PKPDEZQXDFOCKZ-CQSZACIVSA-N 1 1 388.262 1.482 20 5 GDBDMO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000895763456 658726719 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CC[NH+]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000119602634 530928132 /nfs/dbraw/zinc/92/81/32/530928132.db2.gz VCLSYTUJVSOMIN-UHFFFAOYSA-N 1 1 389.193 1.977 20 5 GDBDMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000125796437 531010421 /nfs/dbraw/zinc/01/04/21/531010421.db2.gz KKHGBVHVIMLEKB-UHFFFAOYSA-N 1 1 378.248 1.684 20 5 GDBDMO C[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000125796437 531010426 /nfs/dbraw/zinc/01/04/26/531010426.db2.gz KKHGBVHVIMLEKB-UHFFFAOYSA-N 1 1 378.248 1.684 20 5 GDBDMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000520452095 531228451 /nfs/dbraw/zinc/22/84/51/531228451.db2.gz KNCCCZQGLXOJCR-UHFFFAOYSA-N 1 1 392.909 1.752 20 5 GDBDMO CN(CCCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000520452095 531228456 /nfs/dbraw/zinc/22/84/56/531228456.db2.gz KNCCCZQGLXOJCR-UHFFFAOYSA-N 1 1 392.909 1.752 20 5 GDBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)[NH2+]1 ZINC000440415975 531337831 /nfs/dbraw/zinc/33/78/31/531337831.db2.gz TTWGUKCREWQCJJ-RKDXNWHRSA-N 1 1 378.248 1.728 20 5 GDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269493885 531680180 /nfs/dbraw/zinc/68/01/80/531680180.db2.gz UTCYQARSHKEEEK-JTQLQIEISA-N 1 1 392.275 1.930 20 5 GDBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000590541984 531690492 /nfs/dbraw/zinc/69/04/92/531690492.db2.gz QUFHRPFNMGPLIH-CYBMUJFWSA-N 1 1 397.273 1.785 20 5 GDBDMO Cc1c(Br)cc(S(=O)(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000594845860 531860055 /nfs/dbraw/zinc/86/00/55/531860055.db2.gz FEVBXHVTRCTXFQ-UHFFFAOYSA-N 1 1 392.275 1.848 20 5 GDBDMO Cc1sc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000298306547 531873755 /nfs/dbraw/zinc/87/37/55/531873755.db2.gz DVQNWTVKRGOABA-NSHDSACASA-N 1 1 375.472 1.156 20 5 GDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599699842 532036821 /nfs/dbraw/zinc/03/68/21/532036821.db2.gz MLHUYCNWXWPCLZ-NSHDSACASA-N 1 1 386.246 1.886 20 5 GDBDMO Cc1c(NC(=O)C(=O)NCC[NH+]2CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000430312875 532245592 /nfs/dbraw/zinc/24/55/92/532245592.db2.gz RCYMRGICHPUEFA-UHFFFAOYSA-N 1 1 385.218 1.426 20 5 GDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000823651940 599229380 /nfs/dbraw/zinc/22/93/80/599229380.db2.gz SGKNYDKXTRKMSX-UHFFFAOYSA-N 1 1 396.411 1.371 20 5 GDBDMO C[C@@H]1C[N@H+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000820761299 599514267 /nfs/dbraw/zinc/51/42/67/599514267.db2.gz WWMUXDFVKROJAK-LLVKDONJSA-N 1 1 384.400 1.456 20 5 GDBDMO C[C@@H]1C[N@@H+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000820761299 599514269 /nfs/dbraw/zinc/51/42/69/599514269.db2.gz WWMUXDFVKROJAK-LLVKDONJSA-N 1 1 384.400 1.456 20 5 GDBDMO Cc1c(Br)cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000597624427 652455106 /nfs/dbraw/zinc/45/51/06/652455106.db2.gz IUKIMJAKYGMGCW-ZDUSSCGKSA-N 1 1 397.273 1.785 20 5 GDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610409375 652883414 /nfs/dbraw/zinc/88/34/14/652883414.db2.gz RUNGCAUHYIMZKF-SNVBAGLBSA-N 1 1 392.275 1.977 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000831805025 654998222 /nfs/dbraw/zinc/99/82/22/654998222.db2.gz RNBAITJIKSLAJH-LBPRGKRZSA-N 1 1 377.850 1.373 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000831805025 654998225 /nfs/dbraw/zinc/99/82/25/654998225.db2.gz RNBAITJIKSLAJH-LBPRGKRZSA-N 1 1 377.850 1.373 20 5 GDBDMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000810370411 655157197 /nfs/dbraw/zinc/15/71/97/655157197.db2.gz WMUKMIILYPAIRZ-KOLCDFICSA-N 1 1 399.245 1.895 20 5 GDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC([N@H+]3CCCOCC3)CC2)cs1 ZINC000867399569 656052515 /nfs/dbraw/zinc/05/25/15/656052515.db2.gz DDJIWEXAGLXYIP-UHFFFAOYSA-N 1 1 375.472 1.532 20 5 GDBDMO C[C@@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000867549686 656082055 /nfs/dbraw/zinc/08/20/55/656082055.db2.gz SBMNMQQUAOGVEU-LLVKDONJSA-N 1 1 386.246 1.425 20 5 GDBDMO C[C@@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000867549686 656082058 /nfs/dbraw/zinc/08/20/58/656082058.db2.gz SBMNMQQUAOGVEU-LLVKDONJSA-N 1 1 386.246 1.425 20 5 GDBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194303 656184748 /nfs/dbraw/zinc/18/47/48/656184748.db2.gz APHDDPGOUAJJTI-NWDGAFQWSA-N 1 1 384.230 1.177 20 5 GDBDMO COc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164731477 720381176 /nfs/dbraw/zinc/38/11/76/720381176.db2.gz ZZPZUTLKMSTQGT-UONOGXRCSA-N 1 1 386.412 1.650 20 5 GDBDMO COc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164731478 720382344 /nfs/dbraw/zinc/38/23/44/720382344.db2.gz ZZPZUTLKMSTQGT-ZIAGYGMSSA-N 1 1 386.412 1.650 20 5 GDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732049 720477915 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721561835 /nfs/dbraw/zinc/56/18/35/721561835.db2.gz NNTLGQRNSGYQKO-SZVBFZGTSA-N 1 1 384.440 1.835 20 5 GDBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)[C@@H]2CCCO[C@@H]12 ZINC001164805403 721561840 /nfs/dbraw/zinc/56/18/40/721561840.db2.gz NNTLGQRNSGYQKO-SZVBFZGTSA-N 1 1 384.440 1.835 20 5 GDBDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001165010670 721733843 /nfs/dbraw/zinc/73/38/43/721733843.db2.gz JTCCBCSRGPTWFX-UHFFFAOYSA-N 1 1 392.416 1.421 20 5 GDBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164975505 722100507 /nfs/dbraw/zinc/10/05/07/722100507.db2.gz CBWDTCMTRVNDHP-AEFFLSMTSA-N 1 1 385.424 1.351 20 5 GDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158359 947500392 /nfs/dbraw/zinc/50/03/92/947500392.db2.gz MAKWIHRDLZKKJW-UHFFFAOYSA-N 1 1 399.411 1.085 20 5 GDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000179414064 530740593 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CZCJZVPNHXMREA-UHFFFAOYSA-N 1 1 385.471 1.874 20 5 GDBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCN(CCCO)C1 ZINC000451666502 531658453 /nfs/dbraw/zinc/65/84/53/531658453.db2.gz HEFICKZPRNUWLG-LLVKDONJSA-N 1 1 377.850 1.373 20 5 GDBDMO C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC1 ZINC000296728208 531717591 /nfs/dbraw/zinc/71/75/91/531717591.db2.gz MJAZSJDFGWTWHF-UHFFFAOYSA-N 1 1 390.181 1.979 20 5 GDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])cc1Br ZINC000452374214 531774457 /nfs/dbraw/zinc/77/44/57/531774457.db2.gz WQINLHYVVGWLEO-GFCCVEGCSA-N 1 1 386.246 1.934 20 5 GDBDMO O=[N+]([O-])c1cncc(I)c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000418914356 531861274 /nfs/dbraw/zinc/86/12/74/531861274.db2.gz OPACRYGXIVODHS-SECBINFHSA-N 1 1 390.181 1.115 20 5 GDBDMO O=[N+]([O-])c1cncc(I)c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000418914356 531861276 /nfs/dbraw/zinc/86/12/76/531861276.db2.gz OPACRYGXIVODHS-SECBINFHSA-N 1 1 390.181 1.115 20 5 GDBDMO C[N@H+](C[C@H](O)c1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000298526571 531899096 /nfs/dbraw/zinc/89/90/96/531899096.db2.gz WDJGJIBILFUMGZ-GJZGRUSLSA-N 1 1 399.245 1.580 20 5 GDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000470063715 532082016 /nfs/dbraw/zinc/08/20/16/532082016.db2.gz AATGYJFEDNXUCR-LLVKDONJSA-N 1 1 386.246 1.886 20 5 GDBDMO C[N@H+]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000375373843 532162935 /nfs/dbraw/zinc/16/29/35/532162935.db2.gz QIXYGSFFOVLUSY-UHFFFAOYSA-N 1 1 385.218 1.460 20 5 GDBDMO Cc1cc(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)cc([N+](=O)[O-])c1F ZINC000288625463 532300035 /nfs/dbraw/zinc/30/00/35/532300035.db2.gz NCGMJKCWVSDKSK-UHFFFAOYSA-N 1 1 376.454 1.204 20 5 GDBDMO Cc1cc(S(=O)(=O)NCCCN(C)CC[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000288625463 532300038 /nfs/dbraw/zinc/30/00/38/532300038.db2.gz NCGMJKCWVSDKSK-UHFFFAOYSA-N 1 1 376.454 1.204 20 5 GDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1 ZINC000826499679 607553914 /nfs/dbraw/zinc/55/39/14/607553914.db2.gz SCUIWRDPYCPVTH-INIZCTEOSA-N 1 1 396.411 1.026 20 5 GDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826499911 607943335 /nfs/dbraw/zinc/94/33/35/607943335.db2.gz DMALOOYVMGFAJU-HNNXBMFYSA-N 1 1 396.407 1.573 20 5 GDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826499911 607943336 /nfs/dbraw/zinc/94/33/36/607943336.db2.gz DMALOOYVMGFAJU-HNNXBMFYSA-N 1 1 396.407 1.573 20 5 GDBDMO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1CCOC ZINC000825258339 608303187 /nfs/dbraw/zinc/30/31/87/608303187.db2.gz AKLITFHEIVYRQH-GFCCVEGCSA-N 1 1 376.421 1.107 20 5 GDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551476373 650607445 /nfs/dbraw/zinc/60/74/45/650607445.db2.gz SQKGVRBNDGOEMI-JTQLQIEISA-N 1 1 399.245 1.848 20 5 GDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916661883 660198319 /nfs/dbraw/zinc/19/83/19/660198319.db2.gz ILYBGCBUJROWPR-ZJUUUORDSA-N 1 1 377.825 1.960 20 5 GDBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000574761200 651566383 /nfs/dbraw/zinc/56/63/83/651566383.db2.gz QTYSAZLJMXLFQR-SKDRFNHKSA-N 1 1 390.259 1.682 20 5 GDBDMO C[C@@H](O)C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000577836955 651756754 /nfs/dbraw/zinc/75/67/54/651756754.db2.gz SKKYXQOXPMCZBU-VHSXEESVSA-N 1 1 394.209 1.763 20 5 GDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000589926623 652121242 /nfs/dbraw/zinc/12/12/42/652121242.db2.gz XVQKCXRPHOXLKU-BXKDBHETSA-N 1 1 390.259 1.682 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790048 652363721 /nfs/dbraw/zinc/36/37/21/652363721.db2.gz QHAIHEZMKDEZHK-SNVBAGLBSA-N 1 1 375.422 1.894 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790048 652363724 /nfs/dbraw/zinc/36/37/24/652363724.db2.gz QHAIHEZMKDEZHK-SNVBAGLBSA-N 1 1 375.422 1.894 20 5 GDBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1CCSCC1 ZINC000596123098 652436834 /nfs/dbraw/zinc/43/68/34/652436834.db2.gz NAKDPGMXYNOXIJ-UHFFFAOYSA-N 1 1 388.515 1.744 20 5 GDBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1C[N@H+](C)CCO1 ZINC000771761316 654546528 /nfs/dbraw/zinc/54/65/28/654546528.db2.gz YRQBQEGYEUIHIU-PELKAZGASA-N 1 1 390.209 1.945 20 5 GDBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1C[N@@H+](C)CCO1 ZINC000771761316 654546533 /nfs/dbraw/zinc/54/65/33/654546533.db2.gz YRQBQEGYEUIHIU-PELKAZGASA-N 1 1 390.209 1.945 20 5 GDBDMO COC1CC[NH+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000751124458 654873812 /nfs/dbraw/zinc/87/38/12/654873812.db2.gz SGVAVYJTNWIWEU-UHFFFAOYSA-N 1 1 377.850 1.637 20 5 GDBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000831106476 654972360 /nfs/dbraw/zinc/97/23/60/654972360.db2.gz YTNGZEPNENLDLS-LBPRGKRZSA-N 1 1 384.241 1.247 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000808334894 655106764 /nfs/dbraw/zinc/10/67/64/655106764.db2.gz ZIGCQBSUGZSMSM-UHFFFAOYSA-N 1 1 392.909 1.718 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)NCCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000808334894 655106766 /nfs/dbraw/zinc/10/67/66/655106766.db2.gz ZIGCQBSUGZSMSM-UHFFFAOYSA-N 1 1 392.909 1.718 20 5 GDBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000849447191 655537261 /nfs/dbraw/zinc/53/72/61/655537261.db2.gz LJKBGHSZXUYHDP-UHFFFAOYSA-N 1 1 378.248 1.539 20 5 GDBDMO CCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000850582933 655559052 /nfs/dbraw/zinc/55/90/52/655559052.db2.gz IAOJTDPKMFEPGI-NSHDSACASA-N 1 1 399.245 1.848 20 5 GDBDMO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000859915217 655791591 /nfs/dbraw/zinc/79/15/91/655791591.db2.gz XUXKMOYAFJMFPK-LLVKDONJSA-N 1 1 389.861 1.439 20 5 GDBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865201855 655914585 /nfs/dbraw/zinc/91/45/85/655914585.db2.gz FTDRDFGQOMUSLV-LBPRGKRZSA-N 1 1 399.289 1.652 20 5 GDBDMO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000900641659 659129746 /nfs/dbraw/zinc/12/97/46/659129746.db2.gz YPVMOGDYGWAEKT-GFCCVEGCSA-N 1 1 396.245 1.954 20 5 GDBDMO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000900641659 659129751 /nfs/dbraw/zinc/12/97/51/659129751.db2.gz YPVMOGDYGWAEKT-GFCCVEGCSA-N 1 1 396.245 1.954 20 5 GDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])c(OC)n1)C2 ZINC001164807957 720067934 /nfs/dbraw/zinc/06/79/34/720067934.db2.gz GQNQFJZJBUPHCL-KBXCAEBGSA-N 1 1 377.445 1.578 20 5 GDBDMO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164731476 720382231 /nfs/dbraw/zinc/38/22/31/720382231.db2.gz ZZPZUTLKMSTQGT-KGLIPLIRSA-N 1 1 386.412 1.650 20 5 GDBDMO O=[N+]([O-])c1ccc2ncc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2c1 ZINC001164745734 720632146 /nfs/dbraw/zinc/63/21/46/720632146.db2.gz WFRZXYSXIUENEI-HUUCEWRRSA-N 1 1 393.407 1.670 20 5 GDBDMO O=[N+]([O-])c1ccc2ncc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164745735 720633317 /nfs/dbraw/zinc/63/33/17/720633317.db2.gz WFRZXYSXIUENEI-LSDHHAIUSA-N 1 1 393.407 1.670 20 5 GDBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736844 720683521 /nfs/dbraw/zinc/68/35/21/720683521.db2.gz BNOLYXARKHGXJF-LSDHHAIUSA-N 1 1 393.407 1.670 20 5 GDBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164738164 720721498 /nfs/dbraw/zinc/72/14/98/720721498.db2.gz DWSBFNCNIBMBRK-CHWSQXEVSA-N 1 1 381.396 1.603 20 5 GDBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164853844 720833475 /nfs/dbraw/zinc/83/34/75/720833475.db2.gz PSJKPZGJHXWAOF-OLZOCXBDSA-N 1 1 385.852 1.520 20 5 GDBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@@H]2C1 ZINC001164852953 720886739 /nfs/dbraw/zinc/88/67/39/720886739.db2.gz ARIRMEZZKXYNEX-PBHICJAKSA-N 1 1 387.440 1.712 20 5 GDBDMO COc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164868616 721062366 /nfs/dbraw/zinc/06/23/66/721062366.db2.gz OQRUTZLDWQBECQ-CVEARBPZSA-N 1 1 385.424 1.873 20 5 GDBDMO COc1cc(C)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164770585 721119090 /nfs/dbraw/zinc/11/90/90/721119090.db2.gz RAOCQFKTNCQOSK-HOTGVXAUSA-N 1 1 386.456 1.999 20 5 GDBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cccc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164892226 721392925 /nfs/dbraw/zinc/39/29/25/721392925.db2.gz SEOSTPFHNYGUPR-VQIMIIECSA-N 1 1 375.473 1.755 20 5 GDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc(F)cc2[N+](=O)[O-])CC3)CC1 ZINC001164998180 722230872 /nfs/dbraw/zinc/23/08/72/722230872.db2.gz ZDYNXWNZWMYUAS-UHFFFAOYSA-N 1 1 387.419 1.276 20 5 GDBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186979089 530865164 /nfs/dbraw/zinc/86/51/64/530865164.db2.gz HDUKIYWLGUNZJS-NSHDSACASA-N 1 1 375.422 1.895 20 5 GDBDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000119696451 530929807 /nfs/dbraw/zinc/92/98/07/530929807.db2.gz FYCGJUSAMZFBPR-UHFFFAOYSA-N 1 1 375.422 1.201 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)cc1Br ZINC000191089825 530943685 /nfs/dbraw/zinc/94/36/85/530943685.db2.gz WBONXOYMZPAQNP-UHFFFAOYSA-N 1 1 390.259 1.826 20 5 GDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)CN1CC[NH+](C)CC1 ZINC000122458364 530972323 /nfs/dbraw/zinc/97/23/23/530972323.db2.gz QDDNBJRSDVTJLP-LBPRGKRZSA-N 1 1 399.289 1.971 20 5 GDBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000155516591 531200853 /nfs/dbraw/zinc/20/08/53/531200853.db2.gz MZSBLECLXUKDNT-UHFFFAOYSA-N 1 1 396.263 1.214 20 5 GDBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000155516591 531200855 /nfs/dbraw/zinc/20/08/55/531200855.db2.gz MZSBLECLXUKDNT-UHFFFAOYSA-N 1 1 396.263 1.214 20 5 GDBDMO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000276996088 531246446 /nfs/dbraw/zinc/24/64/46/531246446.db2.gz IYQGODMWHVLLFL-UHFFFAOYSA-N 1 1 382.389 1.118 20 5 GDBDMO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000611106936 531528570 /nfs/dbraw/zinc/52/85/70/531528570.db2.gz CSOZNEYRPCAUGC-SNVBAGLBSA-N 1 1 390.259 1.872 20 5 GDBDMO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000611106936 531528580 /nfs/dbraw/zinc/52/85/80/531528580.db2.gz CSOZNEYRPCAUGC-SNVBAGLBSA-N 1 1 390.259 1.872 20 5 GDBDMO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619532386 531710196 /nfs/dbraw/zinc/71/01/96/531710196.db2.gz AYHXTPQDDXUIEC-LLVKDONJSA-N 1 1 399.245 1.815 20 5 GDBDMO C[C@@H]1C[C@H](Nc2c(I)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000418883602 531860595 /nfs/dbraw/zinc/86/05/95/531860595.db2.gz VGORMDWDROMKMG-RKDXNWHRSA-N 1 1 376.198 1.911 20 5 GDBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000370575864 531993600 /nfs/dbraw/zinc/99/36/00/531993600.db2.gz MYHUCICLNLWGMA-LLVKDONJSA-N 1 1 399.245 1.547 20 5 GDBDMO C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302344971 532046365 /nfs/dbraw/zinc/04/63/65/532046365.db2.gz APQKIIJOENLGSH-SNVBAGLBSA-N 1 1 391.209 1.702 20 5 GDBDMO C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302344971 532046371 /nfs/dbraw/zinc/04/63/71/532046371.db2.gz APQKIIJOENLGSH-SNVBAGLBSA-N 1 1 391.209 1.702 20 5 GDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000285716895 532107914 /nfs/dbraw/zinc/10/79/14/532107914.db2.gz JPFKDGRQHVJYRN-KBPBESRZSA-N 1 1 384.230 1.902 20 5 GDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ncc(I)s2)c1 ZINC000286437857 532150209 /nfs/dbraw/zinc/15/02/09/532150209.db2.gz JETKJACMJBLABX-UHFFFAOYSA-N 1 1 379.183 1.642 20 5 GDBDMO NC(=O)[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737987 599088006 /nfs/dbraw/zinc/08/80/06/599088006.db2.gz TWEOKFXRLUFIAP-OAHLLOKOSA-N 1 1 382.384 1.003 20 5 GDBDMO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCOCC1 ZINC000820276189 599565636 /nfs/dbraw/zinc/56/56/36/599565636.db2.gz UFISGRBUWJOEII-GFCCVEGCSA-N 1 1 398.427 1.703 20 5 GDBDMO COc1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826192830 608034839 /nfs/dbraw/zinc/03/48/39/608034839.db2.gz DHPJCCUCTIRZOU-UHFFFAOYSA-N 1 1 387.404 1.153 20 5 GDBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(-c2nn[nH]n2)c1 ZINC000826498638 609388641 /nfs/dbraw/zinc/38/86/41/609388641.db2.gz DDVDUYYTCWXTNX-INIZCTEOSA-N 1 1 395.423 1.954 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(C(F)(F)F)c1 ZINC000564454783 650758234 /nfs/dbraw/zinc/75/82/34/650758234.db2.gz YSEDNIWUEDHFBY-SNVBAGLBSA-N 1 1 389.302 1.889 20 5 GDBDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000120882466 644675756 /nfs/dbraw/zinc/67/57/56/644675756.db2.gz QZRUTPUIAUDXML-LBPRGKRZSA-N 1 1 375.422 1.431 20 5 GDBDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000120882466 644675760 /nfs/dbraw/zinc/67/57/60/644675760.db2.gz QZRUTPUIAUDXML-LBPRGKRZSA-N 1 1 375.422 1.431 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000920001008 660262669 /nfs/dbraw/zinc/26/26/69/660262669.db2.gz QZZKNNXDGJOUAQ-BXUZGUMPSA-N 1 1 390.893 1.469 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000920001008 660262673 /nfs/dbraw/zinc/26/26/73/660262673.db2.gz QZZKNNXDGJOUAQ-BXUZGUMPSA-N 1 1 390.893 1.469 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000920001915 660263040 /nfs/dbraw/zinc/26/30/40/660263040.db2.gz YBBUHYJXAWYRNT-FZMZJTMJSA-N 1 1 390.893 1.469 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000920001915 660263042 /nfs/dbraw/zinc/26/30/42/660263042.db2.gz YBBUHYJXAWYRNT-FZMZJTMJSA-N 1 1 390.893 1.469 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000445559730 647270790 /nfs/dbraw/zinc/27/07/90/647270790.db2.gz VDHGRASXCNCXQP-AOOOYVTPSA-N 1 1 390.259 1.872 20 5 GDBDMO CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000595101931 652391232 /nfs/dbraw/zinc/39/12/32/652391232.db2.gz GOHIHMWKNYTAJJ-GFCCVEGCSA-N 1 1 399.245 1.848 20 5 GDBDMO C[NH+]1CCN(CC2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)CC1 ZINC000597693050 652456841 /nfs/dbraw/zinc/45/68/41/652456841.db2.gz ABJAIQPMWAUXLF-UHFFFAOYSA-N 1 1 397.273 1.677 20 5 GDBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000602196093 652623730 /nfs/dbraw/zinc/62/37/30/652623730.db2.gz VIBZDSIDSLCOJH-UHFFFAOYSA-N 1 1 399.245 1.203 20 5 GDBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000745942676 654751828 /nfs/dbraw/zinc/75/18/28/654751828.db2.gz QCEUYSLNVFJMDJ-JTQLQIEISA-N 1 1 392.275 1.977 20 5 GDBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000750983695 654866183 /nfs/dbraw/zinc/86/61/83/654866183.db2.gz LHIRYVGFRSLXOC-UHFFFAOYSA-N 1 1 385.218 1.037 20 5 GDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000831804350 654997935 /nfs/dbraw/zinc/99/79/35/654997935.db2.gz GICRBKSOEXKVND-GFCCVEGCSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000831804350 654997936 /nfs/dbraw/zinc/99/79/36/654997936.db2.gz GICRBKSOEXKVND-GFCCVEGCSA-N 1 1 391.877 1.682 20 5 GDBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808334813 655106725 /nfs/dbraw/zinc/10/67/25/655106725.db2.gz WSOZSIDIKCPFRW-UHFFFAOYSA-N 1 1 378.882 1.410 20 5 GDBDMO CN(CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC[NH+](C)C ZINC000808334813 655106727 /nfs/dbraw/zinc/10/67/27/655106727.db2.gz WSOZSIDIKCPFRW-UHFFFAOYSA-N 1 1 378.882 1.410 20 5 GDBDMO CN(CC(=O)NC[C@H]1CC[N@@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795415987 655176116 /nfs/dbraw/zinc/17/61/16/655176116.db2.gz RYKQGIQJKQTVCQ-LLVKDONJSA-N 1 1 385.262 1.861 20 5 GDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000811543218 655199944 /nfs/dbraw/zinc/19/99/44/655199944.db2.gz SLKDFGGHCINKMS-UHFFFAOYSA-N 1 1 387.278 1.971 20 5 GDBDMO CN(CCCNC(=O)c1cccc([N+](=O)[O-])c1Br)CC[NH+](C)C ZINC000811543218 655199947 /nfs/dbraw/zinc/19/99/47/655199947.db2.gz SLKDFGGHCINKMS-UHFFFAOYSA-N 1 1 387.278 1.971 20 5 GDBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000842859840 655381373 /nfs/dbraw/zinc/38/13/73/655381373.db2.gz VKFMJFAOAZCONV-LBPRGKRZSA-N 1 1 391.833 1.082 20 5 GDBDMO C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000924990692 656690242 /nfs/dbraw/zinc/69/02/42/656690242.db2.gz WSLKWKQOKFRDNW-IUCAKERBSA-N 1 1 376.182 1.291 20 5 GDBDMO C[NH+](C)C1(CS(=O)(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000882666555 657183577 /nfs/dbraw/zinc/18/35/77/657183577.db2.gz LPPNVGZVANBKFB-UHFFFAOYSA-N 1 1 392.275 1.871 20 5 GDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3ncc(I)c3C2)c1 ZINC000933112421 657257135 /nfs/dbraw/zinc/25/71/35/657257135.db2.gz UAYHWOBQRPQIQQ-UHFFFAOYSA-N 1 1 388.169 1.108 20 5 GDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCn3ncc(I)c3C2)c1 ZINC000933112421 657257140 /nfs/dbraw/zinc/25/71/40/657257140.db2.gz UAYHWOBQRPQIQQ-UHFFFAOYSA-N 1 1 388.169 1.108 20 5 GDBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756842 658033567 /nfs/dbraw/zinc/03/35/67/658033567.db2.gz RCZZOZKVXSKLQB-CHWSQXEVSA-N 1 1 399.245 1.424 20 5 GDBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896556800 658789383 /nfs/dbraw/zinc/78/93/83/658789383.db2.gz PTCCZBKXIMMEAW-XHDPSFHLSA-N 1 1 399.289 1.650 20 5 GDBDMO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900803092 659146925 /nfs/dbraw/zinc/14/69/25/659146925.db2.gz HJQJWSFAUXVSDS-MFKMUULPSA-N 1 1 385.262 1.721 20 5 GDBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599937064 677678992 /nfs/dbraw/zinc/67/89/92/677678992.db2.gz COFYQMYNAHWDNA-QWHCGFSZSA-N 1 1 398.257 1.947 20 5 GDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c(C)c3C)C2)C1 ZINC001164718351 720257427 /nfs/dbraw/zinc/25/74/27/720257427.db2.gz FHCBNBIWDVAIPX-IBGZPJMESA-N 1 1 391.472 1.271 20 5 GDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c(C)c3C)C2)C1 ZINC001164718351 720257434 /nfs/dbraw/zinc/25/74/34/720257434.db2.gz FHCBNBIWDVAIPX-IBGZPJMESA-N 1 1 391.472 1.271 20 5 GDBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736841 720681350 /nfs/dbraw/zinc/68/13/50/720681350.db2.gz BNOLYXARKHGXJF-CABCVRRESA-N 1 1 393.407 1.670 20 5 GDBDMO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164782837 721400823 /nfs/dbraw/zinc/40/08/23/721400823.db2.gz FZSWXQCZZNLCQV-GHMZBOCLSA-N 1 1 376.398 1.923 20 5 GDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787129 721410033 /nfs/dbraw/zinc/41/00/33/721410033.db2.gz PFLDXJDLXLNRCM-TXEJJXNPSA-N 1 1 376.442 1.727 20 5 GDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787129 721410035 /nfs/dbraw/zinc/41/00/35/721410035.db2.gz PFLDXJDLXLNRCM-TXEJJXNPSA-N 1 1 376.442 1.727 20 5 GDBDMO COc1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2cc1[N+](=O)[O-] ZINC001164928596 721864502 /nfs/dbraw/zinc/86/45/02/721864502.db2.gz YWFSYYOHYYVWNS-JKSUJKDBSA-N 1 1 386.456 1.761 20 5 GDBDMO COc1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2cc1[N+](=O)[O-] ZINC001164928596 721864505 /nfs/dbraw/zinc/86/45/05/721864505.db2.gz YWFSYYOHYYVWNS-JKSUJKDBSA-N 1 1 386.456 1.761 20 5 GDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826498098 948413388 /nfs/dbraw/zinc/41/33/88/948413388.db2.gz HPJICMRJOKEEQG-SFHVURJKSA-N 1 1 395.423 1.631 20 5 GDBDMO NS(=O)(=O)c1ccc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053580133 530694281 /nfs/dbraw/zinc/69/42/81/530694281.db2.gz GZPVZMNPIPITPQ-UHFFFAOYSA-N 1 1 382.467 1.774 20 5 GDBDMO NS(=O)(=O)c1ccc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053580133 530694285 /nfs/dbraw/zinc/69/42/85/530694285.db2.gz GZPVZMNPIPITPQ-UHFFFAOYSA-N 1 1 382.467 1.774 20 5 GDBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)CN1CC[NH+](C)CC1 ZINC000180576506 530767874 /nfs/dbraw/zinc/76/78/74/530767874.db2.gz SXPLPSSGGXQAFB-GFCCVEGCSA-N 1 1 399.289 1.971 20 5 GDBDMO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000183643842 530818735 /nfs/dbraw/zinc/81/87/35/530818735.db2.gz YINPQTNBPYUSHX-ZDUSSCGKSA-N 1 1 387.234 1.656 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000187008771 530866240 /nfs/dbraw/zinc/86/62/40/530866240.db2.gz HDBAIPSDXUZGGE-NSHDSACASA-N 1 1 375.422 1.705 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187177131 530868182 /nfs/dbraw/zinc/86/81/82/530868182.db2.gz MGNXEMCZLSQVDL-QWRGUYRKSA-N 1 1 375.422 1.846 20 5 GDBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000112362238 530881308 /nfs/dbraw/zinc/88/13/08/530881308.db2.gz NGPUYMZHTJVMKP-UHFFFAOYSA-N 1 1 378.882 1.362 20 5 GDBDMO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000127625583 531031714 /nfs/dbraw/zinc/03/17/14/531031714.db2.gz XIEAAQXHSUPVDV-UHFFFAOYSA-N 1 1 390.893 1.554 20 5 GDBDMO C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000291259521 531281890 /nfs/dbraw/zinc/28/18/90/531281890.db2.gz KMCSOCGIMMGGQS-UHFFFAOYSA-N 1 1 385.218 1.460 20 5 GDBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000444165231 531396217 /nfs/dbraw/zinc/39/62/17/531396217.db2.gz HISQWIBGFPAFND-UHFFFAOYSA-N 1 1 396.263 1.214 20 5 GDBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000444165231 531396219 /nfs/dbraw/zinc/39/62/19/531396219.db2.gz HISQWIBGFPAFND-UHFFFAOYSA-N 1 1 396.263 1.214 20 5 GDBDMO O=C(NCCC[NH+]1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267984993 531465239 /nfs/dbraw/zinc/46/52/39/531465239.db2.gz YVHGDGVUSJITCH-UHFFFAOYSA-N 1 1 390.209 1.949 20 5 GDBDMO C[N@H+]1CCN(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000281717773 531651662 /nfs/dbraw/zinc/65/16/62/531651662.db2.gz VBGHLLOJUJDHHS-UHFFFAOYSA-N 1 1 376.504 1.498 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451658401 531657168 /nfs/dbraw/zinc/65/71/68/531657168.db2.gz CYIPEGWHSUCMMB-LBPRGKRZSA-N 1 1 377.850 1.373 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000451658401 531657175 /nfs/dbraw/zinc/65/71/75/531657175.db2.gz CYIPEGWHSUCMMB-LBPRGKRZSA-N 1 1 377.850 1.373 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000451674332 531664300 /nfs/dbraw/zinc/66/43/00/531664300.db2.gz YASBWQOLMSKMLF-GFCCVEGCSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000451674332 531664306 /nfs/dbraw/zinc/66/43/06/531664306.db2.gz YASBWQOLMSKMLF-GFCCVEGCSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc([N+](=O)[O-])c1F ZINC000296394405 531689809 /nfs/dbraw/zinc/68/98/09/531689809.db2.gz ZAPCUAFHWBGFFU-LBPRGKRZSA-N 1 1 375.422 1.167 20 5 GDBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc([N+](=O)[O-])c1F ZINC000296394405 531689821 /nfs/dbraw/zinc/68/98/21/531689821.db2.gz ZAPCUAFHWBGFFU-LBPRGKRZSA-N 1 1 375.422 1.167 20 5 GDBDMO O=C(NCC(=O)N1CC[NH2+]C[C@H]1C(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367385885 531832864 /nfs/dbraw/zinc/83/28/64/531832864.db2.gz MMYLPZXQDQXFBK-JTQLQIEISA-N 1 1 376.747 1.044 20 5 GDBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000594846951 531860102 /nfs/dbraw/zinc/86/01/02/531860102.db2.gz MMXSWRMETSWHJD-UHFFFAOYSA-N 1 1 378.248 1.539 20 5 GDBDMO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000599480325 532031652 /nfs/dbraw/zinc/03/16/52/532031652.db2.gz BHESEDUPBBNNCK-GFCCVEGCSA-N 1 1 399.289 1.971 20 5 GDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000274539476 532216780 /nfs/dbraw/zinc/21/67/80/532216780.db2.gz KKEWLNRYYVQRIZ-UHFFFAOYSA-N 1 1 378.198 1.540 20 5 GDBDMO O=[N+]([O-])c1cnc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738375028 599044424 /nfs/dbraw/zinc/04/44/24/599044424.db2.gz XZOJHZZHANPLEA-SFHVURJKSA-N 1 1 396.411 1.219 20 5 GDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000738359429 599044482 /nfs/dbraw/zinc/04/44/82/599044482.db2.gz RGGKBUUVBOVXFZ-IBGZPJMESA-N 1 1 395.423 1.824 20 5 GDBDMO CC[C@H]1C[N@@H+](CCn2cccn2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736409515 598673120 /nfs/dbraw/zinc/67/31/20/598673120.db2.gz WCCSTEQIKWGOFG-AWEZNQCLSA-N 1 1 397.443 1.572 20 5 GDBDMO C[C@H](O)C[N@H+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000820480354 599530574 /nfs/dbraw/zinc/53/05/74/599530574.db2.gz KFQDFYCVVDCJFM-NEPJUHHUSA-N 1 1 398.427 1.214 20 5 GDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000826033751 607451831 /nfs/dbraw/zinc/45/18/31/607451831.db2.gz JGQMEXVDQZJUBE-HNNXBMFYSA-N 1 1 386.460 1.381 20 5 GDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823648031 606845011 /nfs/dbraw/zinc/84/50/11/606845011.db2.gz SCYDHJUTNNMZJK-SFHVURJKSA-N 1 1 395.423 1.631 20 5 GDBDMO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824562578 608563272 /nfs/dbraw/zinc/56/32/72/608563272.db2.gz HIIRKCMIIBFKSH-GFCCVEGCSA-N 1 1 381.396 1.742 20 5 GDBDMO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(-c2nn[nH]n2)c1 ZINC000826500606 609388824 /nfs/dbraw/zinc/38/88/24/609388824.db2.gz FBMMYNHBFDIFOV-HNNXBMFYSA-N 1 1 396.411 1.349 20 5 GDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000367290178 645599528 /nfs/dbraw/zinc/59/95/28/645599528.db2.gz HAYNKNWZCWPWSZ-NSHDSACASA-N 1 1 378.173 1.965 20 5 GDBDMO CNC(=O)[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420962823 645975800 /nfs/dbraw/zinc/97/58/00/645975800.db2.gz LMEBILLTZXMQOF-JTQLQIEISA-N 1 1 389.193 1.767 20 5 GDBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420962823 645975805 /nfs/dbraw/zinc/97/58/05/645975805.db2.gz LMEBILLTZXMQOF-JTQLQIEISA-N 1 1 389.193 1.767 20 5 GDBDMO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000578241439 651783775 /nfs/dbraw/zinc/78/37/75/651783775.db2.gz GPWBMLYHIBYDFY-GFCCVEGCSA-N 1 1 382.467 1.842 20 5 GDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000582316304 651988487 /nfs/dbraw/zinc/98/84/87/651988487.db2.gz KBKFVWOKYIKXOW-NXEZZACHSA-N 1 1 399.245 1.847 20 5 GDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000582316304 651988489 /nfs/dbraw/zinc/98/84/89/651988489.db2.gz KBKFVWOKYIKXOW-NXEZZACHSA-N 1 1 399.245 1.847 20 5 GDBDMO CN1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCC1=O ZINC000593995483 652266282 /nfs/dbraw/zinc/26/62/82/652266282.db2.gz UDCRXWUIDWLMDH-NSHDSACASA-N 1 1 399.245 1.848 20 5 GDBDMO CN1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCC1=O ZINC000593995483 652266286 /nfs/dbraw/zinc/26/62/86/652266286.db2.gz UDCRXWUIDWLMDH-NSHDSACASA-N 1 1 399.245 1.848 20 5 GDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCCc3scnc32)c1 ZINC000599024202 652477954 /nfs/dbraw/zinc/47/79/54/652477954.db2.gz MZKRPIGHIKBRJM-ZDUSSCGKSA-N 1 1 382.467 1.997 20 5 GDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000601440503 652582325 /nfs/dbraw/zinc/58/23/25/652582325.db2.gz QYQSHYQHDLGXDJ-NSHDSACASA-N 1 1 375.422 1.847 20 5 GDBDMO C[N@H+]1CCC[C@@H](N2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)C1 ZINC000738210760 654651446 /nfs/dbraw/zinc/65/14/46/654651446.db2.gz FIWNSICIRTUKMR-GFCCVEGCSA-N 1 1 387.282 1.223 20 5 GDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000779891532 654772102 /nfs/dbraw/zinc/77/21/02/654772102.db2.gz IEXOIIGSBSLQTE-UHFFFAOYSA-N 1 1 392.909 1.671 20 5 GDBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000754794234 654980363 /nfs/dbraw/zinc/98/03/63/654980363.db2.gz SVSTXZBRQSGOIQ-SECBINFHSA-N 1 1 390.259 1.872 20 5 GDBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000754794234 654980364 /nfs/dbraw/zinc/98/03/64/654980364.db2.gz SVSTXZBRQSGOIQ-SECBINFHSA-N 1 1 390.259 1.872 20 5 GDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000823784004 655467949 /nfs/dbraw/zinc/46/79/49/655467949.db2.gz OSZCIUBKTUVZEH-KOLCDFICSA-N 1 1 383.246 1.963 20 5 GDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865706715 655924691 /nfs/dbraw/zinc/92/46/91/655924691.db2.gz ZZXMODUAKVTKPN-GFCCVEGCSA-N 1 1 385.262 1.262 20 5 GDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000869780684 656207505 /nfs/dbraw/zinc/20/75/05/656207505.db2.gz OZPRYSKURDPNHE-JTQLQIEISA-N 1 1 386.246 1.932 20 5 GDBDMO CCOc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164738205 720735915 /nfs/dbraw/zinc/73/59/15/720735915.db2.gz FCJXROBGPVCVRH-UONOGXRCSA-N 1 1 386.412 1.520 20 5 GDBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc([N+](=O)[O-])c(N)n4)C3)O2)CC1 ZINC001164883463 721419762 /nfs/dbraw/zinc/41/97/62/721419762.db2.gz AAKGQJCLFWDLNJ-BEFAXECRSA-N 1 1 390.488 1.337 20 5 GDBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@H]2CCCO[C@H]12 ZINC001164796164 721527055 /nfs/dbraw/zinc/52/70/55/721527055.db2.gz WWEMRYYPOQCJPQ-SCTDSRPQSA-N 1 1 385.424 1.491 20 5 GDBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@H]2CCCO[C@H]12 ZINC001164796164 721527061 /nfs/dbraw/zinc/52/70/61/721527061.db2.gz WWEMRYYPOQCJPQ-SCTDSRPQSA-N 1 1 385.424 1.491 20 5 GDBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981669 722112278 /nfs/dbraw/zinc/11/22/78/722112278.db2.gz UTMQBGCEZMJCRE-FUHWJXTLSA-N 1 1 384.440 1.816 20 5 GDBDMO Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164971160 722152014 /nfs/dbraw/zinc/15/20/14/722152014.db2.gz AXDHXKVHINMGRE-SJLPKXTDSA-N 1 1 384.440 1.816 20 5 GDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(Br)cn3)CC2)n1 ZINC000176208343 530678976 /nfs/dbraw/zinc/67/89/76/530678976.db2.gz UCIXYKPKISZQDL-UHFFFAOYSA-N 1 1 381.234 1.771 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000111404944 530875163 /nfs/dbraw/zinc/87/51/63/530875163.db2.gz AJWKMOVIWBSFML-CQSZACIVSA-N 1 1 391.877 1.826 20 5 GDBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000610260777 531499957 /nfs/dbraw/zinc/49/99/57/531499957.db2.gz FOBCTJGHCJZJAE-UHFFFAOYSA-N 1 1 386.499 1.630 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000280644434 531521529 /nfs/dbraw/zinc/52/15/29/531521529.db2.gz VGVZOZFHOVADOX-LLVKDONJSA-N 1 1 375.422 1.894 20 5 GDBDMO Cc1c(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000593206158 531821929 /nfs/dbraw/zinc/82/19/29/531821929.db2.gz JSNVGHFUKXWSGP-GFCCVEGCSA-N 1 1 399.245 1.948 20 5 GDBDMO Cc1c(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000593206158 531821930 /nfs/dbraw/zinc/82/19/30/531821930.db2.gz JSNVGHFUKXWSGP-GFCCVEGCSA-N 1 1 399.245 1.948 20 5 GDBDMO COc1ccc(CSCC(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000368010259 531884568 /nfs/dbraw/zinc/88/45/68/531884568.db2.gz ZRTLUNYCBPGLOJ-GFCCVEGCSA-N 1 1 375.397 1.902 20 5 GDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301977226 532043687 /nfs/dbraw/zinc/04/36/87/532043687.db2.gz WLUCUFOPXHYSML-LBPRGKRZSA-N 1 1 398.261 1.671 20 5 GDBDMO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602534584 532079528 /nfs/dbraw/zinc/07/95/28/532079528.db2.gz JUSGMSJDJWCHPX-QMMMGPOBSA-N 1 1 398.304 1.932 20 5 GDBDMO C[N@@H+](CCOCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289344478 532321859 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MFOOCGOHOIZQCD-JKSUJKDBSA-N 1 1 385.511 1.637 20 5 GDBDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000582316307 651988515 /nfs/dbraw/zinc/98/85/15/651988515.db2.gz KBKFVWOKYIKXOW-ZJUUUORDSA-N 1 1 399.245 1.847 20 5 GDBDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000582316307 651988517 /nfs/dbraw/zinc/98/85/17/651988517.db2.gz KBKFVWOKYIKXOW-ZJUUUORDSA-N 1 1 399.245 1.847 20 5 GDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589926517 652121394 /nfs/dbraw/zinc/12/13/94/652121394.db2.gz VJLVREFBCZRRQR-JOYOIKCWSA-N 1 1 390.259 1.682 20 5 GDBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856796 652254965 /nfs/dbraw/zinc/25/49/65/652254965.db2.gz QDSCOPSEXKJRGC-GFCCVEGCSA-N 1 1 384.230 1.557 20 5 GDBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856796 652254967 /nfs/dbraw/zinc/25/49/67/652254967.db2.gz QDSCOPSEXKJRGC-GFCCVEGCSA-N 1 1 384.230 1.557 20 5 GDBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000597681784 652456287 /nfs/dbraw/zinc/45/62/87/652456287.db2.gz HFMGAHBRXIUYBG-UHFFFAOYSA-N 1 1 384.230 1.762 20 5 GDBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000597681430 652456421 /nfs/dbraw/zinc/45/64/21/652456421.db2.gz AZPVHASACVCNGX-UHFFFAOYSA-N 1 1 384.230 1.762 20 5 GDBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610902651 652899094 /nfs/dbraw/zinc/89/90/94/652899094.db2.gz GRHNVGKMORNTDY-UHFFFAOYSA-N 1 1 399.245 1.203 20 5 GDBDMO C[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000741755619 654692171 /nfs/dbraw/zinc/69/21/71/654692171.db2.gz FOBDZKPCAHKKQU-UHFFFAOYSA-N 1 1 378.248 1.730 20 5 GDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000745943205 654752151 /nfs/dbraw/zinc/75/21/51/654752151.db2.gz YGSOPLOQTAIKAL-SNVBAGLBSA-N 1 1 392.275 1.977 20 5 GDBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000825294030 655487516 /nfs/dbraw/zinc/48/75/16/655487516.db2.gz YOWWCLPXSCFUMB-UHFFFAOYSA-N 1 1 389.239 1.748 20 5 GDBDMO NC(=O)C[NH+]1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000858243737 655746298 /nfs/dbraw/zinc/74/62/98/655746298.db2.gz NBGTWPLFAUPBMZ-UHFFFAOYSA-N 1 1 385.218 1.037 20 5 GDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000863832547 655882769 /nfs/dbraw/zinc/88/27/69/655882769.db2.gz ZHOXZAGLGITYLX-VIFPVBQESA-N 1 1 376.182 1.293 20 5 GDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@@H+](C)CCN1C ZINC000896563645 658790094 /nfs/dbraw/zinc/79/00/94/658790094.db2.gz NRWOIWUOGQTLJF-HZMBPMFUSA-N 1 1 385.262 1.721 20 5 GDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC000903215170 659303478 /nfs/dbraw/zinc/30/34/78/659303478.db2.gz ZDOMEHLSRANIBQ-NSHDSACASA-N 1 1 390.259 1.826 20 5 GDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000906231408 659526180 /nfs/dbraw/zinc/52/61/80/659526180.db2.gz WGCAMALMPJQKKS-SECBINFHSA-N 1 1 375.166 1.633 20 5 GDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000906231408 659526190 /nfs/dbraw/zinc/52/61/90/659526190.db2.gz WGCAMALMPJQKKS-SECBINFHSA-N 1 1 375.166 1.633 20 5 GDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732058 720478923 /nfs/dbraw/zinc/47/89/23/720478923.db2.gz YIVKQZBPBDXBTE-JKSUJKDBSA-N 1 1 397.439 1.900 20 5 GDBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746217 720642609 /nfs/dbraw/zinc/64/26/09/720642609.db2.gz WHHUZJVUFLUHFX-RYUDHWBXSA-N 1 1 376.804 1.775 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736751 720672575 /nfs/dbraw/zinc/67/25/75/720672575.db2.gz AZINRIOSNNXBPT-CHWSQXEVSA-N 1 1 376.804 1.775 20 5 GDBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)ncc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772194 721075744 /nfs/dbraw/zinc/07/57/44/721075744.db2.gz USLFTKVNDDOETN-CHWSQXEVSA-N 1 1 377.836 1.730 20 5 GDBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cccc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164892219 721392847 /nfs/dbraw/zinc/39/28/47/721392847.db2.gz SEOSTPFHNYGUPR-APWZRJJASA-N 1 1 375.473 1.755 20 5 GDBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)[C@@H]2CCCO[C@@H]12 ZINC001164799549 721562407 /nfs/dbraw/zinc/56/24/07/721562407.db2.gz CJKOLQOQWMBXHT-QGPMSJSTSA-N 1 1 384.440 1.835 20 5 GDBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)[C@@H]2CCCO[C@@H]12 ZINC001164799549 721562409 /nfs/dbraw/zinc/56/24/09/721562409.db2.gz CJKOLQOQWMBXHT-QGPMSJSTSA-N 1 1 384.440 1.835 20 5 GDBDMO COc1nc(N2CC[NH+](CCOc3ccccc3)CC2)nc(OC)c1[N+](=O)[O-] ZINC001165045339 721956086 /nfs/dbraw/zinc/95/60/86/721956086.db2.gz SIFLWHSERJIUFL-UHFFFAOYSA-N 1 1 389.412 1.603 20 5 GDBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981662 722112040 /nfs/dbraw/zinc/11/20/40/722112040.db2.gz UTMQBGCEZMJCRE-AEFFLSMTSA-N 1 1 384.440 1.816 20 5 GDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000826498407 948413601 /nfs/dbraw/zinc/41/36/01/948413601.db2.gz SWHJTSZAJSUPRD-INIZCTEOSA-N 1 1 396.411 1.026 20 5 GDBDMO C[N@@H+]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000038039662 530616698 /nfs/dbraw/zinc/61/66/98/530616698.db2.gz UQMKOKJAZYZLCJ-UHFFFAOYSA-N 1 1 378.248 1.684 20 5 GDBDMO C[N@H+]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000038039662 530616699 /nfs/dbraw/zinc/61/66/99/530616699.db2.gz UQMKOKJAZYZLCJ-UHFFFAOYSA-N 1 1 378.248 1.684 20 5 GDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000174819777 530655168 /nfs/dbraw/zinc/65/51/68/530655168.db2.gz LRIPKQKKKPJWEV-UHFFFAOYSA-N 1 1 381.234 1.771 20 5 GDBDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000119695552 530929569 /nfs/dbraw/zinc/92/95/69/530929569.db2.gz JCPVURDZQWZSDY-UHFFFAOYSA-N 1 1 391.877 1.716 20 5 GDBDMO Cc1sc(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000123103487 530979397 /nfs/dbraw/zinc/97/93/97/530979397.db2.gz XBZKONCSZJJWQZ-UHFFFAOYSA-N 1 1 376.504 1.271 20 5 GDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1cccc(Br)c1 ZINC000245879875 531061750 /nfs/dbraw/zinc/06/17/50/531061750.db2.gz IACYBMAEQJFOGG-HUUCEWRRSA-N 1 1 399.245 1.580 20 5 GDBDMO COC[C@@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262375657 531118646 /nfs/dbraw/zinc/11/86/46/531118646.db2.gz XEFAKVLJNLBWKS-ZDUSSCGKSA-N 1 1 398.268 1.949 20 5 GDBDMO O=[N+]([O-])c1nn(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Br ZINC000152294108 531149384 /nfs/dbraw/zinc/14/93/84/531149384.db2.gz KWBHVYMXFNAWDU-ZDUSSCGKSA-N 1 1 381.230 1.973 20 5 GDBDMO Cc1c(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435328797 531260917 /nfs/dbraw/zinc/26/09/17/531260917.db2.gz MWNJDBRNRKZHBB-CQSZACIVSA-N 1 1 387.234 1.854 20 5 GDBDMO Cn1ncc(Br)c1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000278511296 531365054 /nfs/dbraw/zinc/36/50/54/531365054.db2.gz OXXHXTSTCHEJPS-TZMCWYRMSA-N 1 1 385.218 1.275 20 5 GDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000483247650 531410025 /nfs/dbraw/zinc/41/00/25/531410025.db2.gz OJGCXEBUZMUYQD-GWCFXTLKSA-N 1 1 375.212 1.782 20 5 GDBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000590541985 531689746 /nfs/dbraw/zinc/68/97/46/531689746.db2.gz QUFHRPFNMGPLIH-ZDUSSCGKSA-N 1 1 397.273 1.785 20 5 GDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000269960744 531814391 /nfs/dbraw/zinc/81/43/91/531814391.db2.gz JAIVTJLIKWUOSR-LLVKDONJSA-N 1 1 386.250 1.725 20 5 GDBDMO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C[C@H]1[NH+](C)C ZINC000270431230 531868171 /nfs/dbraw/zinc/86/81/71/531868171.db2.gz GCPOVYZJHRNXOI-KGLIPLIRSA-N 1 1 387.483 1.116 20 5 GDBDMO O=[N+]([O-])c1cncc(I)c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000418942043 531868779 /nfs/dbraw/zinc/86/87/79/531868779.db2.gz WAIZVRAYONRXIJ-QMMMGPOBSA-N 1 1 385.165 1.640 20 5 GDBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)c1sc2c(c1Br)C[NH2+]C2 ZINC000595249670 531872915 /nfs/dbraw/zinc/87/29/15/531872915.db2.gz IAMSJIBSXCMRED-UHFFFAOYSA-N 1 1 386.231 1.649 20 5 GDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+](C)CCN(C)C ZINC000288667056 532302045 /nfs/dbraw/zinc/30/20/45/532302045.db2.gz SELMEVQKGHHUTI-UHFFFAOYSA-N 1 1 376.454 1.204 20 5 GDBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCCN(C)CC[NH+](C)C ZINC000288667056 532302048 /nfs/dbraw/zinc/30/20/48/532302048.db2.gz SELMEVQKGHHUTI-UHFFFAOYSA-N 1 1 376.454 1.204 20 5 GDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737117497 599489249 /nfs/dbraw/zinc/48/92/49/599489249.db2.gz XDTNBHLIDABRDF-UHFFFAOYSA-N 1 1 380.368 1.721 20 5 GDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826499395 607531286 /nfs/dbraw/zinc/53/12/86/607531286.db2.gz HHJMISFRVVHUIV-SFHVURJKSA-N 1 1 395.423 1.631 20 5 GDBDMO CC(C)[NH+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)C ZINC000824288437 607579977 /nfs/dbraw/zinc/57/99/77/607579977.db2.gz GDSCLAOWRGOQPR-UHFFFAOYSA-N 1 1 397.461 1.172 20 5 GDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)nc1 ZINC000823639840 606975310 /nfs/dbraw/zinc/97/53/10/606975310.db2.gz INOPTHIUBWVZDI-LBPRGKRZSA-N 1 1 384.375 1.995 20 5 GDBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(-c2nn[nH]n2)c1 ZINC000826498639 609388348 /nfs/dbraw/zinc/38/83/48/609388348.db2.gz DDVDUYYTCWXTNX-MRXNPFEDSA-N 1 1 395.423 1.954 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000533634882 650211410 /nfs/dbraw/zinc/21/14/10/650211410.db2.gz WENJUSROPGNWPJ-SECBINFHSA-N 1 1 390.259 1.872 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000533634882 650211415 /nfs/dbraw/zinc/21/14/15/650211415.db2.gz WENJUSROPGNWPJ-SECBINFHSA-N 1 1 390.259 1.872 20 5 GDBDMO C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000124023047 644702763 /nfs/dbraw/zinc/70/27/63/644702763.db2.gz KIJFSIHUQIQPKY-IUCAKERBSA-N 1 1 378.248 1.728 20 5 GDBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCOCC(F)(F)F ZINC000420996371 645978224 /nfs/dbraw/zinc/97/82/24/645978224.db2.gz ASDHVKSLCGUBAI-UHFFFAOYSA-N 1 1 385.364 1.384 20 5 GDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCOCC(F)(F)F ZINC000420996371 645978230 /nfs/dbraw/zinc/97/82/30/645978230.db2.gz ASDHVKSLCGUBAI-UHFFFAOYSA-N 1 1 385.364 1.384 20 5 GDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000919980670 660260923 /nfs/dbraw/zinc/26/09/23/660260923.db2.gz FHJHGRQEDBSUNE-BXUZGUMPSA-N 1 1 390.893 1.469 20 5 GDBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000919980670 660260926 /nfs/dbraw/zinc/26/09/26/660260926.db2.gz FHJHGRQEDBSUNE-BXUZGUMPSA-N 1 1 390.893 1.469 20 5 GDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452384736 647322522 /nfs/dbraw/zinc/32/25/22/647322522.db2.gz CAQIEAFBSRQSCB-GFCCVEGCSA-N 1 1 386.246 1.934 20 5 GDBDMO CC[N@H+](CCOCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000503433935 648186416 /nfs/dbraw/zinc/18/64/16/648186416.db2.gz JQCWGLIEEXZDQA-UHFFFAOYSA-N 1 1 390.234 1.627 20 5 GDBDMO CC[N@@H+](CCOCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000503433935 648186420 /nfs/dbraw/zinc/18/64/20/648186420.db2.gz JQCWGLIEEXZDQA-UHFFFAOYSA-N 1 1 390.234 1.627 20 5 GDBDMO COC(=O)[C@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+](C)C1 ZINC000602694613 652645459 /nfs/dbraw/zinc/64/54/59/652645459.db2.gz KBYNUAGAYKJCSJ-SECBINFHSA-N 1 1 392.275 1.955 20 5 GDBDMO COC(=O)[C@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+](C)C1 ZINC000602694613 652645462 /nfs/dbraw/zinc/64/54/62/652645462.db2.gz KBYNUAGAYKJCSJ-SECBINFHSA-N 1 1 392.275 1.955 20 5 GDBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000609134278 652835987 /nfs/dbraw/zinc/83/59/87/652835987.db2.gz CMJAFQFWZDSCKS-JTQLQIEISA-N 1 1 378.248 1.730 20 5 GDBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000609134278 652835991 /nfs/dbraw/zinc/83/59/91/652835991.db2.gz CMJAFQFWZDSCKS-JTQLQIEISA-N 1 1 378.248 1.730 20 5 GDBDMO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000775576256 654668793 /nfs/dbraw/zinc/66/87/93/654668793.db2.gz NHBXNOURTDFRDJ-VIFPVBQESA-N 1 1 378.248 1.730 20 5 GDBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000775576256 654668795 /nfs/dbraw/zinc/66/87/95/654668795.db2.gz NHBXNOURTDFRDJ-VIFPVBQESA-N 1 1 378.248 1.730 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)ccc1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000777924450 654726128 /nfs/dbraw/zinc/72/61/28/654726128.db2.gz YHMWFBGMGOJYBO-UHFFFAOYSA-N 1 1 386.905 1.977 20 5 GDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000765193862 655233870 /nfs/dbraw/zinc/23/38/70/655233870.db2.gz DGNGFTDNZFKLGD-SNVBAGLBSA-N 1 1 392.275 1.977 20 5 GDBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842860132 655381415 /nfs/dbraw/zinc/38/14/15/655381415.db2.gz ZQEAKOPIYUDRQQ-GFCCVEGCSA-N 1 1 391.833 1.082 20 5 GDBDMO C[NH+]1CCN(CC2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)CC1 ZINC000863918046 655883641 /nfs/dbraw/zinc/88/36/41/655883641.db2.gz CPUFCAKTEDZFNM-UHFFFAOYSA-N 1 1 397.273 1.677 20 5 GDBDMO CN1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888979485 657962915 /nfs/dbraw/zinc/96/29/15/657962915.db2.gz VFEXXQYQHSMHBT-UHFFFAOYSA-N 1 1 385.262 1.677 20 5 GDBDMO CN1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888979485 657962916 /nfs/dbraw/zinc/96/29/16/657962916.db2.gz VFEXXQYQHSMHBT-UHFFFAOYSA-N 1 1 385.262 1.677 20 5 GDBDMO Nc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164748254 720835081 /nfs/dbraw/zinc/83/50/81/720835081.db2.gz STWQRGAKNLXGFI-HRCADAONSA-N 1 1 398.471 1.543 20 5 GDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164857110 720850620 /nfs/dbraw/zinc/85/06/20/720850620.db2.gz 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Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000439250771 531318331 /nfs/dbraw/zinc/31/83/31/531318331.db2.gz VEVWBYYJUDPRNG-SECBINFHSA-N 1 1 378.248 1.648 20 5 GDBDMO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000439250771 531318337 /nfs/dbraw/zinc/31/83/37/531318337.db2.gz VEVWBYYJUDPRNG-SECBINFHSA-N 1 1 378.248 1.648 20 5 GDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c(F)c1 ZINC000478238645 531340858 /nfs/dbraw/zinc/34/08/58/531340858.db2.gz WLUPXWPVJNPGFP-AWEZNQCLSA-N 1 1 375.422 1.312 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000280644436 531521552 /nfs/dbraw/zinc/52/15/52/531521552.db2.gz VGVZOZFHOVADOX-NSHDSACASA-N 1 1 375.422 1.894 20 5 GDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc([N+](=O)[O-])c1F ZINC000296394400 531689636 /nfs/dbraw/zinc/68/96/36/531689636.db2.gz ZAPCUAFHWBGFFU-GFCCVEGCSA-N 1 1 375.422 1.167 20 5 GDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc([N+](=O)[O-])c1F ZINC000296394400 531689651 /nfs/dbraw/zinc/68/96/51/531689651.db2.gz ZAPCUAFHWBGFFU-GFCCVEGCSA-N 1 1 375.422 1.167 20 5 GDBDMO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000599480326 532031531 /nfs/dbraw/zinc/03/15/31/532031531.db2.gz BHESEDUPBBNNCK-LBPRGKRZSA-N 1 1 399.289 1.971 20 5 GDBDMO C[N@@H+](CCn1cc(Br)cn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000288913604 532311279 /nfs/dbraw/zinc/31/12/79/532311279.db2.gz UHFFQGUBPBALCX-CQSZACIVSA-N 1 1 399.245 1.926 20 5 GDBDMO Cc1nc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n[nH]1 ZINC000289647022 532329944 /nfs/dbraw/zinc/32/99/44/532329944.db2.gz XZOPERLISNHXGI-UHFFFAOYSA-N 1 1 387.181 1.958 20 5 GDBDMO Cc1nnc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)[nH]1 ZINC000289647022 532329945 /nfs/dbraw/zinc/32/99/45/532329945.db2.gz XZOPERLISNHXGI-UHFFFAOYSA-N 1 1 387.181 1.958 20 5 GDBDMO Cc1cc(C2=CC[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)CC2)cc([N+](=O)[O-])c1N ZINC000359875847 209197965 /nfs/dbraw/zinc/19/79/65/209197965.db2.gz NYTLEXFGAHLIID-UHFFFAOYSA-N 1 1 385.424 1.172 20 5 GDBDMO O=[N+]([O-])c1cnn(CCN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000738373746 599124838 /nfs/dbraw/zinc/12/48/38/599124838.db2.gz GQMMTFRICDCLRM-UHFFFAOYSA-N 1 1 397.443 1.179 20 5 GDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000738360294 598628880 /nfs/dbraw/zinc/62/88/80/598628880.db2.gz VFEYGMCFLAUWFY-SFHVURJKSA-N 1 1 395.423 1.631 20 5 GDBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000825981124 607876198 /nfs/dbraw/zinc/87/61/98/607876198.db2.gz PGZJAFBNFUGQNT-CQSZACIVSA-N 1 1 384.396 1.647 20 5 GDBDMO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000551495130 650607726 /nfs/dbraw/zinc/60/77/26/650607726.db2.gz DNODMHIGHUEFMW-VIFPVBQESA-N 1 1 399.245 1.895 20 5 GDBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000565802259 650815201 /nfs/dbraw/zinc/81/52/01/650815201.db2.gz CAZMRSJOMPDMFD-CYBMUJFWSA-N 1 1 392.193 1.783 20 5 GDBDMO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000124023283 644702659 /nfs/dbraw/zinc/70/26/59/644702659.db2.gz KIJFSIHUQIQPKY-RKDXNWHRSA-N 1 1 378.248 1.728 20 5 GDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)S(C)(=O)=O ZINC000129594724 644735213 /nfs/dbraw/zinc/73/52/13/644735213.db2.gz ZZXZAPXKIDIYQL-UHFFFAOYSA-N 1 1 375.422 1.818 20 5 GDBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000569316084 650994177 /nfs/dbraw/zinc/99/41/77/650994177.db2.gz PABBZPMEZUQNOF-UHFFFAOYSA-N 1 1 377.182 1.895 20 5 GDBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000569316084 650994181 /nfs/dbraw/zinc/99/41/81/650994181.db2.gz PABBZPMEZUQNOF-UHFFFAOYSA-N 1 1 377.182 1.895 20 5 GDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331321866 645498823 /nfs/dbraw/zinc/49/88/23/645498823.db2.gz KNWAIJZBAPQOFW-CYBMUJFWSA-N 1 1 385.262 1.262 20 5 GDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446049613 647278575 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[NH3+]CC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000190290486 530927511 /nfs/dbraw/zinc/92/75/11/530927511.db2.gz XPCZWAFSPBSIGS-UHFFFAOYSA-N 1 1 385.108 1.523 20 5 GDBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292130344 531335848 /nfs/dbraw/zinc/33/58/48/531335848.db2.gz IREFQPOPHRQRBX-NSHDSACASA-N 1 1 392.275 1.823 20 5 GDBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292130344 531335850 /nfs/dbraw/zinc/33/58/50/531335850.db2.gz IREFQPOPHRQRBX-NSHDSACASA-N 1 1 392.275 1.823 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000363689486 531501522 /nfs/dbraw/zinc/50/15/22/531501522.db2.gz GGOZPADQFJLTNI-NEPJUHHUSA-N 1 1 375.834 1.390 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000363689486 531501533 /nfs/dbraw/zinc/50/15/33/531501533.db2.gz GGOZPADQFJLTNI-NEPJUHHUSA-N 1 1 375.834 1.390 20 5 GDBDMO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 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MKJUIZBPPMEFOV-ZIAGYGMSSA-N 1 1 387.483 1.116 20 5 GDBDMO CCN(C)C(=O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289451892 532324944 /nfs/dbraw/zinc/32/49/44/532324944.db2.gz GZGGLFIQQJWJOI-UHFFFAOYSA-N 1 1 377.182 1.767 20 5 GDBDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000289828909 532332847 /nfs/dbraw/zinc/33/28/47/532332847.db2.gz ANBCKUICWVOYPN-UHFFFAOYSA-N 1 1 399.245 1.850 20 5 GDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169894 599567037 /nfs/dbraw/zinc/56/70/37/599567037.db2.gz HVYJVNKRJDKSFZ-LRDDRELGSA-N 1 1 386.416 1.415 20 5 GDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cn1 ZINC000823639557 607059593 /nfs/dbraw/zinc/05/95/93/607059593.db2.gz DNRMGECXPFOAJF-UHFFFAOYSA-N 1 1 384.375 1.631 20 5 GDBDMO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000825976993 609490329 /nfs/dbraw/zinc/49/03/29/609490329.db2.gz VBOAWNKDTWWSCZ-OAHLLOKOSA-N 1 1 384.396 1.647 20 5 GDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@@H+]1C ZINC000110732368 644625692 /nfs/dbraw/zinc/62/56/92/644625692.db2.gz FCFNNOKHBTYAJU-VIFPVBQESA-N 1 1 389.193 1.976 20 5 GDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@H+]1C ZINC000110732368 644625693 /nfs/dbraw/zinc/62/56/93/644625693.db2.gz FCFNNOKHBTYAJU-VIFPVBQESA-N 1 1 389.193 1.976 20 5 GDBDMO C[N@H+]1CCC[C@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000570618738 651047070 /nfs/dbraw/zinc/04/70/70/651047070.db2.gz PPVLZABIIQILPH-SECBINFHSA-N 1 1 376.198 1.770 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c(Br)c1 ZINC000468984530 647689599 /nfs/dbraw/zinc/68/95/99/647689599.db2.gz OCEOIAKRMISHSD-UHFFFAOYSA-N 1 1 390.259 1.826 20 5 GDBDMO O=C(NCC[N@H+]1CC=CCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000577209890 651715727 /nfs/dbraw/zinc/71/57/27/651715727.db2.gz SRIFETPSNUIFKR-UHFFFAOYSA-N 1 1 397.229 1.674 20 5 GDBDMO O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000577209890 651715730 /nfs/dbraw/zinc/71/57/30/651715730.db2.gz SRIFETPSNUIFKR-UHFFFAOYSA-N 1 1 397.229 1.674 20 5 GDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000599024201 652477962 /nfs/dbraw/zinc/47/79/62/652477962.db2.gz MZKRPIGHIKBRJM-CYBMUJFWSA-N 1 1 382.467 1.997 20 5 GDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCc2scnc21 ZINC000599034036 652478372 /nfs/dbraw/zinc/47/83/72/652478372.db2.gz YNEBMEJJJGANIP-LLVKDONJSA-N 1 1 382.467 1.997 20 5 GDBDMO COC1CC[NH+](CCNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000771769062 654546825 /nfs/dbraw/zinc/54/68/25/654546825.db2.gz MXWMZEIGVNJOGH-UHFFFAOYSA-N 1 1 375.422 1.431 20 5 GDBDMO COC1CC[NH+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000778017045 654729533 /nfs/dbraw/zinc/72/95/33/654729533.db2.gz CZCDRGRKHJXJRG-UHFFFAOYSA-N 1 1 375.422 1.431 20 5 GDBDMO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000784681201 654894125 /nfs/dbraw/zinc/89/41/25/654894125.db2.gz MODVDKAOIVGPCC-JTQLQIEISA-N 1 1 399.245 1.815 20 5 GDBDMO C[C@@]1(C(N)=O)CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795455627 655177863 /nfs/dbraw/zinc/17/78/63/655177863.db2.gz JTVUEHSCCTUIHY-OAHLLOKOSA-N 1 1 397.229 1.468 20 5 GDBDMO C[C@@]1(C(N)=O)CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795455627 655177866 /nfs/dbraw/zinc/17/78/66/655177866.db2.gz JTVUEHSCCTUIHY-OAHLLOKOSA-N 1 1 397.229 1.468 20 5 GDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000813738431 655244289 /nfs/dbraw/zinc/24/42/89/655244289.db2.gz HKWLQSVZKDWWQQ-TVQRCGJNSA-N 1 1 390.259 1.682 20 5 GDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000813740578 655244503 /nfs/dbraw/zinc/24/45/03/655244503.db2.gz CESRAIPTAUFYEB-CABZTGNLSA-N 1 1 390.259 1.682 20 5 GDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)[C@H]2C1 ZINC000813741833 655244928 /nfs/dbraw/zinc/24/49/28/655244928.db2.gz VHVODUBQFQOCIW-RNCFNFMXSA-N 1 1 390.259 1.682 20 5 GDBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843065567 655387742 /nfs/dbraw/zinc/38/77/42/655387742.db2.gz NRXNOFKNWBAUEZ-GFCCVEGCSA-N 1 1 397.273 1.754 20 5 GDBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000849447975 655537530 /nfs/dbraw/zinc/53/75/30/655537530.db2.gz YEVVKYTZFRJOHK-UHFFFAOYSA-N 1 1 392.275 1.848 20 5 GDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000928554188 656915621 /nfs/dbraw/zinc/91/56/21/656915621.db2.gz HHWVZOHJTYZGET-SNVBAGLBSA-N 1 1 375.166 1.633 20 5 GDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000928554188 656915622 /nfs/dbraw/zinc/91/56/22/656915622.db2.gz HHWVZOHJTYZGET-SNVBAGLBSA-N 1 1 375.166 1.633 20 5 GDBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@]2(C)C1 ZINC000907566274 659785444 /nfs/dbraw/zinc/78/54/44/659785444.db2.gz ZBZJMRPATGGHNG-OTYXRUKQSA-N 1 1 377.825 1.960 20 5 GDBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])CC2 ZINC001164686041 719716782 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BWEZQKQFTKCTMJ-UKRRQHHQSA-N 1 1 389.387 1.874 20 5 GDBDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001165011308 721741663 /nfs/dbraw/zinc/74/16/63/721741663.db2.gz UZRLQCLOCQWRQG-UHFFFAOYSA-N 1 1 397.863 1.405 20 5 GDBDMO COC(=O)c1nc(Cl)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164965802 722069241 /nfs/dbraw/zinc/06/92/41/722069241.db2.gz NUXPDPOVNSUOHF-PHIMTYICSA-N 1 1 397.819 1.124 20 5 GDBDMO COC(=O)c1nc(Cl)nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164965802 722069242 /nfs/dbraw/zinc/06/92/42/722069242.db2.gz NUXPDPOVNSUOHF-PHIMTYICSA-N 1 1 397.819 1.124 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000161716899 530563271 /nfs/dbraw/zinc/56/32/71/530563271.db2.gz NSQLGBDDYLLIJI-ZDUSSCGKSA-N 1 1 391.877 1.763 20 5 GDBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000173430583 530629665 /nfs/dbraw/zinc/62/96/65/530629665.db2.gz JNUNNBZRRSOCKC-UHFFFAOYSA-N 1 1 379.866 1.803 20 5 GDBDMO Cc1c(Br)cc(S(=O)(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000186989897 530866324 /nfs/dbraw/zinc/86/63/24/530866324.db2.gz RTWROOHGHIKUJY-UHFFFAOYSA-N 1 1 388.190 1.538 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187177118 530868198 /nfs/dbraw/zinc/86/81/98/530868198.db2.gz MGNXEMCZLSQVDL-MNOVXSKESA-N 1 1 375.422 1.846 20 5 GDBDMO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000114458683 530895086 /nfs/dbraw/zinc/89/50/86/530895086.db2.gz MTEZCVZTQIPVQT-UHFFFAOYSA-N 1 1 387.234 1.752 20 5 GDBDMO Cc1c(Br)cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000193356804 530984925 /nfs/dbraw/zinc/98/49/25/530984925.db2.gz MXVCCCARBIWSNQ-MRVPVSSYSA-N 1 1 378.248 1.648 20 5 GDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000151635967 531140980 /nfs/dbraw/zinc/14/09/80/531140980.db2.gz XKFNPOICLLRXAS-GFCCVEGCSA-N 1 1 398.261 1.495 20 5 GDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000473917969 531263891 /nfs/dbraw/zinc/26/38/91/531263891.db2.gz FRZKUNOAIDJRLV-UHFFFAOYSA-N 1 1 378.248 1.731 20 5 GDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000457088993 531945601 /nfs/dbraw/zinc/94/56/01/531945601.db2.gz CLEDVRNMUMIJPG-LLVKDONJSA-N 1 1 386.246 1.425 20 5 GDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000457088993 531945609 /nfs/dbraw/zinc/94/56/09/531945609.db2.gz CLEDVRNMUMIJPG-LLVKDONJSA-N 1 1 386.246 1.425 20 5 GDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270982212 531951023 /nfs/dbraw/zinc/95/10/23/531951023.db2.gz SBWXNVJYBQPZQA-LBPRGKRZSA-N 1 1 398.261 1.495 20 5 GDBDMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1CC ZINC000736623196 598672504 /nfs/dbraw/zinc/67/25/04/598672504.db2.gz CECYXZFGCLVHHV-ZDUSSCGKSA-N 1 1 375.433 1.712 20 5 GDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC000738370029 599358523 /nfs/dbraw/zinc/35/85/23/599358523.db2.gz MUFQKPQBDWZMAM-CQSZACIVSA-N 1 1 396.411 1.735 20 5 GDBDMO C[C@H]1C[N@H+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000820761300 599514357 /nfs/dbraw/zinc/51/43/57/599514357.db2.gz WWMUXDFVKROJAK-NSHDSACASA-N 1 1 384.400 1.456 20 5 GDBDMO C[C@H]1C[N@@H+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000820761300 599514359 /nfs/dbraw/zinc/51/43/59/599514359.db2.gz WWMUXDFVKROJAK-NSHDSACASA-N 1 1 384.400 1.456 20 5 GDBDMO CC[N@@H+]1CCO[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821277756 599541844 /nfs/dbraw/zinc/54/18/44/599541844.db2.gz XGHNYZGKSHVDOS-GFCCVEGCSA-N 1 1 384.400 1.456 20 5 GDBDMO CC[N@H+]1CCO[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821277756 599541846 /nfs/dbraw/zinc/54/18/46/599541846.db2.gz XGHNYZGKSHVDOS-GFCCVEGCSA-N 1 1 384.400 1.456 20 5 GDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826499394 607531186 /nfs/dbraw/zinc/53/11/86/607531186.db2.gz HHJMISFRVVHUIV-GOSISDBHSA-N 1 1 395.423 1.631 20 5 GDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826499912 607943496 /nfs/dbraw/zinc/94/34/96/607943496.db2.gz DMALOOYVMGFAJU-OAHLLOKOSA-N 1 1 396.407 1.573 20 5 GDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826499912 607943497 /nfs/dbraw/zinc/94/34/97/607943497.db2.gz DMALOOYVMGFAJU-OAHLLOKOSA-N 1 1 396.407 1.573 20 5 GDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000370337248 645684732 /nfs/dbraw/zinc/68/47/32/645684732.db2.gz IRBFXOTZWFMYIK-ZIAGYGMSSA-N 1 1 398.257 1.879 20 5 GDBDMO Cc1c(Br)cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593855414 652254349 /nfs/dbraw/zinc/25/43/49/652254349.db2.gz PKUCYVCRKKZBCD-GFCCVEGCSA-N 1 1 384.230 1.557 20 5 GDBDMO Cc1c(Br)cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593855414 652254356 /nfs/dbraw/zinc/25/43/56/652254356.db2.gz PKUCYVCRKKZBCD-GFCCVEGCSA-N 1 1 384.230 1.557 20 5 GDBDMO Cc1sc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000595385190 652415832 /nfs/dbraw/zinc/41/58/32/652415832.db2.gz VQHPJLMVMIZJEU-GFCCVEGCSA-N 1 1 375.472 1.184 20 5 GDBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597625552 652455371 /nfs/dbraw/zinc/45/53/71/652455371.db2.gz PHALVOOWPKBCAC-CQSZACIVSA-N 1 1 383.246 1.477 20 5 GDBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599939332 652519112 /nfs/dbraw/zinc/51/91/12/652519112.db2.gz HJZIJZHXAOICHY-WDEREUQCSA-N 1 1 384.230 1.638 20 5 GDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1CC([NH+]2CCOCC2)C1 ZINC000600066210 652525272 /nfs/dbraw/zinc/52/52/72/652525272.db2.gz HTBZESGFRUGGLK-UHFFFAOYSA-N 1 1 398.257 1.879 20 5 GDBDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000603404729 652711672 /nfs/dbraw/zinc/71/16/72/652711672.db2.gz YFTIOUPPELRCHM-UHFFFAOYSA-N 1 1 390.893 1.554 20 5 GDBDMO COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@@H+](C)C1 ZINC000839630193 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CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000602196128 652623715 /nfs/dbraw/zinc/62/37/15/652623715.db2.gz WTYSUNLNMHXVOD-UHFFFAOYSA-N 1 1 399.245 1.203 20 5 GDBDMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000609279037 652839975 /nfs/dbraw/zinc/83/99/75/652839975.db2.gz BWYVPYIFDGKJIJ-LBPRGKRZSA-N 1 1 391.877 1.946 20 5 GDBDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000609279037 652839976 /nfs/dbraw/zinc/83/99/76/652839976.db2.gz BWYVPYIFDGKJIJ-LBPRGKRZSA-N 1 1 391.877 1.946 20 5 GDBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000769900332 654491309 /nfs/dbraw/zinc/49/13/09/654491309.db2.gz QBSJUBSFPGYTBS-UHFFFAOYSA-N 1 1 387.849 1.835 20 5 GDBDMO C[N@H+]1CCC[C@H](N2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)C1 ZINC000738210763 654651482 /nfs/dbraw/zinc/65/14/82/654651482.db2.gz FIWNSICIRTUKMR-LBPRGKRZSA-N 1 1 387.282 1.223 20 5 GDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 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376.804 1.775 20 5 GDBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743020 720615230 /nfs/dbraw/zinc/61/52/30/720615230.db2.gz NZCOOOVXDWAFOM-RYUDHWBXSA-N 1 1 376.804 1.775 20 5 GDBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745745 720641561 /nfs/dbraw/zinc/64/15/61/720641561.db2.gz WHHUZJVUFLUHFX-NWDGAFQWSA-N 1 1 376.804 1.775 20 5 GDBDMO CCOc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164738200 720737676 /nfs/dbraw/zinc/73/76/76/720737676.db2.gz FCJXROBGPVCVRH-KBPBESRZSA-N 1 1 386.412 1.520 20 5 GDBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871037 721046657 /nfs/dbraw/zinc/04/66/57/721046657.db2.gz XZSKRQCIWUCTTP-UONOGXRCSA-N 1 1 390.831 1.913 20 5 GDBDMO Cc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164891314 721444754 /nfs/dbraw/zinc/44/47/54/721444754.db2.gz GDAHRJGAYYUZNP-APWZRJJASA-N 1 1 390.488 1.459 20 5 GDBDMO 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/nfs/dbraw/zinc/97/29/89/954972989.db2.gz ZBBZAPYTEWBEQN-SFHVURJKSA-N 1 1 377.441 1.635 20 5 GDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c(Cl)c1 ZINC000183741444 530819780 /nfs/dbraw/zinc/81/97/80/530819780.db2.gz UEDIIQGTLYWZSY-AWEZNQCLSA-N 1 1 391.877 1.826 20 5 GDBDMO C[NH+](C)CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000113447673 530889630 /nfs/dbraw/zinc/88/96/30/530889630.db2.gz TYEFHWSLMLSICJ-LBPRGKRZSA-N 1 1 389.861 1.439 20 5 GDBDMO COCC[N@@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000119912796 530933123 /nfs/dbraw/zinc/93/31/23/530933123.db2.gz IOVIVGSVACNTLB-UHFFFAOYSA-N 1 1 388.262 1.984 20 5 GDBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000189724147 530919465 /nfs/dbraw/zinc/91/94/65/530919465.db2.gz YYTLKGPRSRRUCK-NSHDSACASA-N 1 1 386.246 1.425 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000122511399 530973046 /nfs/dbraw/zinc/97/30/46/530973046.db2.gz SPXRQPRZLVDVCC-UHFFFAOYSA-N 1 1 397.284 1.475 20 5 GDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158176121 531207809 /nfs/dbraw/zinc/20/78/09/531207809.db2.gz XJIOHKUYLONUGY-CYBMUJFWSA-N 1 1 389.239 1.954 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)c(Br)c1 ZINC000473912724 531263160 /nfs/dbraw/zinc/26/31/60/531263160.db2.gz RFCIKXOYXKJHTL-UHFFFAOYSA-N 1 1 378.248 1.731 20 5 GDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000265765415 531284919 /nfs/dbraw/zinc/28/49/19/531284919.db2.gz HENWSYDHTLABLT-CYBMUJFWSA-N 1 1 399.245 1.427 20 5 GDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000279527744 531438759 /nfs/dbraw/zinc/43/87/59/531438759.db2.gz OXYYFYQEXJUPTR-AWEZNQCLSA-N 1 1 385.511 1.963 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363371078 531483302 /nfs/dbraw/zinc/48/33/02/531483302.db2.gz XUOOZSWQULKPKN-RYUDHWBXSA-N 1 1 375.834 1.390 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363371078 531483305 /nfs/dbraw/zinc/48/33/05/531483305.db2.gz XUOOZSWQULKPKN-RYUDHWBXSA-N 1 1 375.834 1.390 20 5 GDBDMO C[N@H+]1CCN(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000282435785 531753513 /nfs/dbraw/zinc/75/35/13/531753513.db2.gz GHYMXAQXJFRSMM-UHFFFAOYSA-N 1 1 390.893 1.553 20 5 GDBDMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000282567358 531771833 /nfs/dbraw/zinc/77/18/33/531771833.db2.gz ORDFTYNIOLJAFP-UHFFFAOYSA-N 1 1 390.893 1.553 20 5 GDBDMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593203917 531822517 /nfs/dbraw/zinc/82/25/17/531822517.db2.gz AZIXTQUULFPFSB-CYBMUJFWSA-N 1 1 385.218 1.640 20 5 GDBDMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593203917 531822521 /nfs/dbraw/zinc/82/25/21/531822521.db2.gz AZIXTQUULFPFSB-CYBMUJFWSA-N 1 1 385.218 1.640 20 5 GDBDMO COCC[N@@H+](C)CCCNc1c(I)cncc1[N+](=O)[O-] ZINC000418832343 531849068 /nfs/dbraw/zinc/84/90/68/531849068.db2.gz KARWYXCWJGXOJU-UHFFFAOYSA-N 1 1 394.213 1.397 20 5 GDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1cccc(Br)c1 ZINC000298526576 531898967 /nfs/dbraw/zinc/89/89/67/531898967.db2.gz WDJGJIBILFUMGZ-LSDHHAIUSA-N 1 1 399.245 1.580 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420446379 532012330 /nfs/dbraw/zinc/01/23/30/532012330.db2.gz BKMSHYYRNCPRHZ-VIFPVBQESA-N 1 1 384.241 1.558 20 5 GDBDMO NC(=O)[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737984 599088251 /nfs/dbraw/zinc/08/82/51/599088251.db2.gz TWEOKFXRLUFIAP-HNNXBMFYSA-N 1 1 382.384 1.003 20 5 GDBDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825934284 608037084 /nfs/dbraw/zinc/03/70/84/608037084.db2.gz LWANUBURGURYNJ-UHFFFAOYSA-N 1 1 391.823 1.798 20 5 GDBDMO COc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1O ZINC000532615974 650027973 /nfs/dbraw/zinc/02/79/73/650027973.db2.gz QTBYQSZRTYQBQZ-UHFFFAOYSA-N 1 1 387.439 1.439 20 5 GDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533465844 650053372 /nfs/dbraw/zinc/05/33/72/650053372.db2.gz KWGJIHGQLISGLR-JTQLQIEISA-N 1 1 392.275 1.977 20 5 GDBDMO COC1CC[NH+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000124536620 644708394 /nfs/dbraw/zinc/70/83/94/644708394.db2.gz YMVFWMRNCHHYKY-UHFFFAOYSA-N 1 1 391.877 1.946 20 5 GDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000578758378 651811635 /nfs/dbraw/zinc/81/16/35/651811635.db2.gz OLBFAWPLZAOTBD-CYBMUJFWSA-N 1 1 394.229 1.878 20 5 GDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000589926629 652121254 /nfs/dbraw/zinc/12/12/54/652121254.db2.gz XVQKCXRPHOXLKU-JOYOIKCWSA-N 1 1 390.259 1.682 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799648 652366897 /nfs/dbraw/zinc/36/68/97/652366897.db2.gz OGZWTWONSSYVLI-JTQLQIEISA-N 1 1 375.422 1.894 20 5 GDBDMO Cc1c(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599785237 652514261 /nfs/dbraw/zinc/51/42/61/652514261.db2.gz LSXACIGJOZXKEP-NSHDSACASA-N 1 1 387.234 1.854 20 5 GDBDMO COC1CC[NH+](CCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000610574656 652887063 /nfs/dbraw/zinc/88/70/63/652887063.db2.gz UNFFIVQOZDQOGA-UHFFFAOYSA-N 1 1 391.877 1.946 20 5 GDBDMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742283926 654699890 /nfs/dbraw/zinc/69/98/90/654699890.db2.gz XITYXHHFVHNTJL-SECBINFHSA-N 1 1 378.248 1.730 20 5 GDBDMO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742283926 654699892 /nfs/dbraw/zinc/69/98/92/654699892.db2.gz XITYXHHFVHNTJL-SECBINFHSA-N 1 1 378.248 1.730 20 5 GDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825708373 655492765 /nfs/dbraw/zinc/49/27/65/655492765.db2.gz HDDDKUPUQRYOFK-JTQLQIEISA-N 1 1 387.234 1.593 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000851851679 655599704 /nfs/dbraw/zinc/59/97/04/655599704.db2.gz DFPQBRKURCBZEG-CYBMUJFWSA-N 1 1 389.861 1.468 20 5 GDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000869779862 656207358 /nfs/dbraw/zinc/20/73/58/656207358.db2.gz KVBFNHSGLVIICT-LBPRGKRZSA-N 1 1 386.246 1.932 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1Br ZINC000903213921 659302899 /nfs/dbraw/zinc/30/28/99/659302899.db2.gz QHKUDBVTYVSMKH-SNVBAGLBSA-N 1 1 390.259 1.826 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736752 720673336 /nfs/dbraw/zinc/67/33/36/720673336.db2.gz AZINRIOSNNXBPT-OLZOCXBDSA-N 1 1 376.804 1.775 20 5 GDBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164786236 721412822 /nfs/dbraw/zinc/41/28/22/721412822.db2.gz OINLYEJWNICHAN-GHMZBOCLSA-N 1 1 381.845 1.906 20 5 GDBDMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164803400 721587956 /nfs/dbraw/zinc/58/79/56/721587956.db2.gz HYSWXAZNNJMHRT-RYQLBKOJSA-N 1 1 384.440 1.956 20 5 GDBDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164803400 721587958 /nfs/dbraw/zinc/58/79/58/721587958.db2.gz HYSWXAZNNJMHRT-RYQLBKOJSA-N 1 1 384.440 1.956 20 5 GDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165042824 721953044 /nfs/dbraw/zinc/95/30/44/721953044.db2.gz RYXUQJUUYVBAIY-UHFFFAOYSA-N 1 1 386.408 1.977 20 5 GDBDMO COc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ccc1[N+](=O)[O-] ZINC001164998095 722230610 /nfs/dbraw/zinc/23/06/10/722230610.db2.gz XIHKBFBAYCYEPA-UHFFFAOYSA-N 1 1 399.455 1.145 20 5 GDBDMO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000177283938 530700554 /nfs/dbraw/zinc/70/05/54/530700554.db2.gz YMUPQMRLDSJIKJ-LBPRGKRZSA-N 1 1 399.289 1.971 20 5 GDBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000184339531 530827291 /nfs/dbraw/zinc/82/72/91/530827291.db2.gz HKXYNGYBXNJQSZ-UHFFFAOYSA-N 1 1 385.364 1.206 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187177090 530867922 /nfs/dbraw/zinc/86/79/22/530867922.db2.gz MGNXEMCZLSQVDL-GHMZBOCLSA-N 1 1 375.422 1.846 20 5 GDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1Br ZINC000124636893 530998327 /nfs/dbraw/zinc/99/83/27/530998327.db2.gz KPABBGVRIAQHEB-AOOOYVTPSA-N 1 1 390.259 1.872 20 5 GDBDMO C[NH+](C)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000136469909 531114564 /nfs/dbraw/zinc/11/45/64/531114564.db2.gz WNDRUGYPAUXJEK-CYBMUJFWSA-N 1 1 389.861 1.439 20 5 GDBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291254760 531281357 /nfs/dbraw/zinc/28/13/57/531281357.db2.gz OELJLQJOHZFIJC-UHFFFAOYSA-N 1 1 389.239 1.842 20 5 GDBDMO C[N@@H+]1C[C@H]2CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278701153 531380701 /nfs/dbraw/zinc/38/07/01/531380701.db2.gz IIFPOSDPNSNIHO-AOOOYVTPSA-N 1 1 379.360 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GDBDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000290821592 531257712 /nfs/dbraw/zinc/25/77/12/531257712.db2.gz ORSICGVOTUTUFQ-VIFPVBQESA-N 1 1 399.245 1.895 20 5 GDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000267484936 531428136 /nfs/dbraw/zinc/42/81/36/531428136.db2.gz URTFGYFBYVXRCH-QWRGUYRKSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000267484936 531428140 /nfs/dbraw/zinc/42/81/40/531428140.db2.gz URTFGYFBYVXRCH-QWRGUYRKSA-N 1 1 386.246 1.884 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000296398968 531691631 /nfs/dbraw/zinc/69/16/31/531691631.db2.gz ZKMRILMBKDJXAX-LBPRGKRZSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000296398968 531691638 /nfs/dbraw/zinc/69/16/38/531691638.db2.gz ZKMRILMBKDJXAX-LBPRGKRZSA-N 1 1 391.877 1.682 20 5 GDBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000591328824 531717006 /nfs/dbraw/zinc/71/70/06/531717006.db2.gz QDJPINBRBVHYMK-JOYOIKCWSA-N 1 1 379.360 1.938 20 5 GDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452365133 531775175 /nfs/dbraw/zinc/77/51/75/531775175.db2.gz NJLGKOKPFDOMPM-CYBMUJFWSA-N 1 1 386.246 1.934 20 5 GDBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599200104 532010488 /nfs/dbraw/zinc/01/04/88/532010488.db2.gz WSECIOQPNIKWRT-NSHDSACASA-N 1 1 381.230 1.806 20 5 GDBDMO C[N@@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000602715491 532082005 /nfs/dbraw/zinc/08/20/05/532082005.db2.gz NWGKQKWJFAFCFA-CYBMUJFWSA-N 1 1 391.209 1.308 20 5 GDBDMO C[N@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000602715491 532082011 /nfs/dbraw/zinc/08/20/11/532082011.db2.gz NWGKQKWJFAFCFA-CYBMUJFWSA-N 1 1 391.209 1.308 20 5 GDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285723525 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DVTXIEGKIQKHCB-UHFFFAOYSA-N 1 1 386.246 1.738 20 5 GDBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000155534436 531201264 /nfs/dbraw/zinc/20/12/64/531201264.db2.gz LCDMWXCHZMBFFH-UHFFFAOYSA-N 1 1 396.263 1.214 20 5 GDBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000155534436 531201265 /nfs/dbraw/zinc/20/12/65/531201265.db2.gz LCDMWXCHZMBFFH-UHFFFAOYSA-N 1 1 396.263 1.214 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363371025 531483109 /nfs/dbraw/zinc/48/31/09/531483109.db2.gz WPDQNUDTFMARSO-VXGBXAGGSA-N 1 1 375.834 1.390 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363371025 531483110 /nfs/dbraw/zinc/48/31/10/531483110.db2.gz WPDQNUDTFMARSO-VXGBXAGGSA-N 1 1 375.834 1.390 20 5 GDBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416474142 531633996 /nfs/dbraw/zinc/63/39/96/531633996.db2.gz QQRUIYPFMAALMB-UHFFFAOYSA-N 1 1 385.364 1.470 20 5 GDBDMO 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COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164853842 720833719 /nfs/dbraw/zinc/83/37/19/720833719.db2.gz PSJKPZGJHXWAOF-CHWSQXEVSA-N 1 1 385.852 1.520 20 5 GDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC[C@@H]2C1 ZINC001164852628 720866044 /nfs/dbraw/zinc/86/60/44/720866044.db2.gz DWJZDRHKPUOQMW-CZUORRHYSA-N 1 1 375.429 1.645 20 5 GDBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164773914 721142060 /nfs/dbraw/zinc/14/20/60/721142060.db2.gz ZDJYCHXWELOBDM-KBPBESRZSA-N 1 1 392.847 1.573 20 5 GDBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(F)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164887167 721393126 /nfs/dbraw/zinc/39/31/26/721393126.db2.gz HGKZSLNWLIQWDS-APWZRJJASA-N 1 1 393.463 1.894 20 5 GDBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4N)C3)O2)CC1 ZINC001164892301 721431579 /nfs/dbraw/zinc/43/15/79/721431579.db2.gz IBYWMZBFZGUIRE-APWZRJJASA-N 1 1 390.488 1.337 20 5 GDBDMO 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Cc1cc(Br)c(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000162051061 530565857 /nfs/dbraw/zinc/56/58/57/530565857.db2.gz VNPCVDYHLWQHED-UHFFFAOYSA-N 1 1 399.245 1.768 20 5 GDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000174707245 530652953 /nfs/dbraw/zinc/65/29/53/530652953.db2.gz WAPDQWXTZISQKI-ZDUSSCGKSA-N 1 1 385.877 1.685 20 5 GDBDMO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181702655 530789550 /nfs/dbraw/zinc/78/95/50/530789550.db2.gz SZBQTNPCRIVDTH-NSHDSACASA-N 1 1 375.422 1.818 20 5 GDBDMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181702655 530789553 /nfs/dbraw/zinc/78/95/53/530789553.db2.gz SZBQTNPCRIVDTH-NSHDSACASA-N 1 1 375.422 1.818 20 5 GDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248837360 531082465 /nfs/dbraw/zinc/08/24/65/531082465.db2.gz HBQCAQHAYRBUGW-QWRGUYRKSA-N 1 1 386.246 1.884 20 5 GDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248837360 531082466 /nfs/dbraw/zinc/08/24/66/531082466.db2.gz HBQCAQHAYRBUGW-QWRGUYRKSA-N 1 1 386.246 1.884 20 5 GDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000151603702 531140612 /nfs/dbraw/zinc/14/06/12/531140612.db2.gz MFSHXEPPGAKPBJ-ZDUSSCGKSA-N 1 1 398.261 1.495 20 5 GDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000153685673 531170825 /nfs/dbraw/zinc/17/08/25/531170825.db2.gz KTEFWRGOCVUQGZ-AWEZNQCLSA-N 1 1 386.246 1.886 20 5 GDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000157579297 531206893 /nfs/dbraw/zinc/20/68/93/531206893.db2.gz BPIBTVTXSKZGTQ-UHFFFAOYSA-N 1 1 385.471 1.296 20 5 GDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291537998 531297574 /nfs/dbraw/zinc/29/75/74/531297574.db2.gz ONRLPKVVZIFAQN-LBPRGKRZSA-N 1 1 389.239 1.971 20 5 GDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000534287175 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OMALCZZMKHNLOM-UHFFFAOYSA-N 1 1 384.483 1.872 20 5 GDBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000416498147 531648794 /nfs/dbraw/zinc/64/87/94/531648794.db2.gz WRLYJSHFSBJKAC-SECBINFHSA-N 1 1 378.248 1.587 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000451657893 531657891 /nfs/dbraw/zinc/65/78/91/531657891.db2.gz CBWCLNFYZJKBTB-LBPRGKRZSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000451657893 531657896 /nfs/dbraw/zinc/65/78/96/531657896.db2.gz CBWCLNFYZJKBTB-LBPRGKRZSA-N 1 1 391.877 1.682 20 5 GDBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457088120 531944414 /nfs/dbraw/zinc/94/44/14/531944414.db2.gz BRJBNQSDPFZIMZ-SNVBAGLBSA-N 1 1 386.246 1.804 20 5 GDBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457088120 531944420 /nfs/dbraw/zinc/94/44/20/531944420.db2.gz BRJBNQSDPFZIMZ-SNVBAGLBSA-N 1 1 386.246 1.804 20 5 GDBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000425423651 532138958 /nfs/dbraw/zinc/13/89/58/532138958.db2.gz ODTKBUSLDACGPW-CQSZACIVSA-N 1 1 388.262 1.482 20 5 GDBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000425423651 532138962 /nfs/dbraw/zinc/13/89/62/532138962.db2.gz ODTKBUSLDACGPW-CQSZACIVSA-N 1 1 388.262 1.482 20 5 GDBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000289351147 532321990 /nfs/dbraw/zinc/32/19/90/532321990.db2.gz LACACHUSRFMFPR-UHFFFAOYSA-N 1 1 394.209 1.622 20 5 GDBDMO CCS(=O)(=O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290049307 532335960 /nfs/dbraw/zinc/33/59/60/532335960.db2.gz WWQQQNGVMSXXPR-UHFFFAOYSA-N 1 1 398.222 1.724 20 5 GDBDMO Cc1ccnc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000737436164 599040117 /nfs/dbraw/zinc/04/01/17/599040117.db2.gz FYEIVOXCEPHCFA-UHFFFAOYSA-N 1 1 380.412 1.801 20 5 GDBDMO C[C@H]1COCC[N@@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820814466 599525850 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C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810400104 655158952 /nfs/dbraw/zinc/15/89/52/655158952.db2.gz CXYNHHCJYLHIGR-NXEZZACHSA-N 1 1 399.245 1.847 20 5 GDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810400104 655158954 /nfs/dbraw/zinc/15/89/54/655158954.db2.gz CXYNHHCJYLHIGR-NXEZZACHSA-N 1 1 399.245 1.847 20 5 GDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000817402469 655351676 /nfs/dbraw/zinc/35/16/76/655351676.db2.gz UKVKRSYBYUSWIE-NSHDSACASA-N 1 1 399.245 1.848 20 5 GDBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000851851680 655599740 /nfs/dbraw/zinc/59/97/40/655599740.db2.gz DFPQBRKURCBZEG-ZDUSSCGKSA-N 1 1 389.861 1.468 20 5 GDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000863322579 655865920 /nfs/dbraw/zinc/86/59/20/655865920.db2.gz ZHOXZAGLGITYLX-SECBINFHSA-N 1 1 376.182 1.293 20 5 GDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896549088 658788474 /nfs/dbraw/zinc/78/84/74/658788474.db2.gz MPPVQXMCMHDYEK-ZWNOBZJWSA-N 1 1 385.262 1.721 20 5 GDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c(C)c3C)C2)C1 ZINC001164718352 720257911 /nfs/dbraw/zinc/25/79/11/720257911.db2.gz FHCBNBIWDVAIPX-LJQANCHMSA-N 1 1 391.472 1.271 20 5 GDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c(C)c3C)C2)C1 ZINC001164718352 720257920 /nfs/dbraw/zinc/25/79/20/720257920.db2.gz FHCBNBIWDVAIPX-LJQANCHMSA-N 1 1 391.472 1.271 20 5 GDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164747132 720725688 /nfs/dbraw/zinc/72/56/88/720725688.db2.gz ZZJCWRMZRHDNQV-OLZOCXBDSA-N 1 1 392.803 1.014 20 5 GDBDMO COC(=O)c1cnc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164791560 721402479 /nfs/dbraw/zinc/40/24/79/721402479.db2.gz ZEEJZAIFKROFNP-BETUJISGSA-N 1 1 389.437 1.801 20 5 GDBDMO COC(=O)c1cnc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164791560 721402481 /nfs/dbraw/zinc/40/24/81/721402481.db2.gz ZEEJZAIFKROFNP-BETUJISGSA-N 1 1 389.437 1.801 20 5 GDBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)[C@H]2CCCO[C@@H]12 ZINC001164799553 721562673 /nfs/dbraw/zinc/56/26/73/721562673.db2.gz CJKOLQOQWMBXHT-YXJHDRRASA-N 1 1 384.440 1.835 20 5 GDBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)[C@H]2CCCO[C@@H]12 ZINC001164799553 721562679 /nfs/dbraw/zinc/56/26/79/721562679.db2.gz CJKOLQOQWMBXHT-YXJHDRRASA-N 1 1 384.440 1.835 20 5 GDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010306 721741613 /nfs/dbraw/zinc/74/16/13/721741613.db2.gz LNCOIGYHQKVKRW-UHFFFAOYSA-N 1 1 377.445 1.060 20 5 GDBDMO Nc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164979034 722125486 /nfs/dbraw/zinc/12/54/86/722125486.db2.gz OTCITKPLHCXBSW-YJBOKZPZSA-N 1 1 384.440 1.694 20 5 GDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000179420751 530740572 /nfs/dbraw/zinc/74/05/72/530740572.db2.gz ZJCXULILSKAVPJ-LBPRGKRZSA-N 1 1 386.246 1.886 20 5 GDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000108406572 530857707 /nfs/dbraw/zinc/85/77/07/530857707.db2.gz IMTIEJOWQSXXDQ-JTQLQIEISA-N 1 1 392.275 1.977 20 5 GDBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000519546890 531214860 /nfs/dbraw/zinc/21/48/60/531214860.db2.gz SLKDXNULOQHJTP-UHFFFAOYSA-N 1 1 399.245 1.251 20 5 GDBDMO C[N@@H+](CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000290780015 531255891 /nfs/dbraw/zinc/25/58/91/531255891.db2.gz LQQUHHKTBWZJHJ-UHFFFAOYSA-N 1 1 385.218 1.506 20 5 GDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1nc2c(s1)CCC2 ZINC000611314519 531532003 /nfs/dbraw/zinc/53/20/03/531532003.db2.gz WQDCDEIBAQEJOP-UHFFFAOYSA-N 1 1 382.467 1.608 20 5 GDBDMO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000281071378 531576482 /nfs/dbraw/zinc/57/64/82/531576482.db2.gz KTKIITRVNVEYSY-JTQLQIEISA-N 1 1 399.245 1.672 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000365932507 531695844 /nfs/dbraw/zinc/69/58/44/531695844.db2.gz VQJYXVXWHIYPFJ-NWDGAFQWSA-N 1 1 389.861 1.698 20 5 GDBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000365932507 531695850 /nfs/dbraw/zinc/69/58/50/531695850.db2.gz VQJYXVXWHIYPFJ-NWDGAFQWSA-N 1 1 389.861 1.698 20 5 GDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301915535 532041226 /nfs/dbraw/zinc/04/12/26/532041226.db2.gz DJEQPESGGOUVMZ-GFCCVEGCSA-N 1 1 398.261 1.671 20 5 GDBDMO C[C@H](O)C[NH+]1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000302371058 532046420 /nfs/dbraw/zinc/04/64/20/532046420.db2.gz FGXXIMWNDDCNEY-JTQLQIEISA-N 1 1 391.209 1.702 20 5 GDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000272574707 532105691 /nfs/dbraw/zinc/10/56/91/532105691.db2.gz XGLQPPXQSWLBHM-UHFFFAOYSA-N 1 1 387.849 1.835 20 5 GDBDMO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000289391264 532322908 /nfs/dbraw/zinc/32/29/08/532322908.db2.gz MOSBJJFFDRACJW-GFCCVEGCSA-N 1 1 389.193 1.910 20 5 GDBDMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000289391264 532322910 /nfs/dbraw/zinc/32/29/10/532322910.db2.gz MOSBJJFFDRACJW-GFCCVEGCSA-N 1 1 389.193 1.910 20 5 GDBDMO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821104448 599303168 /nfs/dbraw/zinc/30/31/68/599303168.db2.gz DGDYYPWBFVNUJA-INIZCTEOSA-N 1 1 386.416 1.245 20 5 GDBDMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)[C@H]2C1 ZINC000549482545 650577942 /nfs/dbraw/zinc/57/79/42/650577942.db2.gz LEMCCVJLCCUOKQ-QWHCGFSZSA-N 1 1 375.472 1.448 20 5 GDBDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)[C@H]2C1 ZINC000549482545 650577943 /nfs/dbraw/zinc/57/79/43/650577943.db2.gz LEMCCVJLCCUOKQ-QWHCGFSZSA-N 1 1 375.472 1.448 20 5 GDBDMO C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H](C)[NH2+]1 ZINC000123912407 644701249 /nfs/dbraw/zinc/70/12/49/644701249.db2.gz GAFNGVVBIMNUFB-RKDXNWHRSA-N 1 1 378.248 1.728 20 5 GDBDMO COCC[N@H+](C)CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000171070457 644872975 /nfs/dbraw/zinc/87/29/75/644872975.db2.gz NXXRTUXVYBGHJS-UHFFFAOYSA-N 1 1 385.364 1.878 20 5 GDBDMO COCC[N@@H+](C)CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000171070457 644872978 /nfs/dbraw/zinc/87/29/78/644872978.db2.gz NXXRTUXVYBGHJS-UHFFFAOYSA-N 1 1 385.364 1.878 20 5 GDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1Br ZINC000193757619 645054989 /nfs/dbraw/zinc/05/49/89/645054989.db2.gz CLCRQHWEYWKZHR-UHFFFAOYSA-N 1 1 378.248 1.731 20 5 GDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000578758379 651811724 /nfs/dbraw/zinc/81/17/24/651811724.db2.gz OLBFAWPLZAOTBD-ZDUSSCGKSA-N 1 1 394.229 1.878 20 5 GDBDMO O=[N+]([O-])c1cc(I)ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599176017 652480002 /nfs/dbraw/zinc/48/00/02/652480002.db2.gz OIOREWHMIKKOFK-SNVBAGLBSA-N 1 1 377.182 1.678 20 5 GDBDMO COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599415757 652494069 /nfs/dbraw/zinc/49/40/69/652494069.db2.gz QRYGAOURNMZCDF-NSHDSACASA-N 1 1 375.422 1.753 20 5 GDBDMO Cc1sc(S(=O)(=O)N2CCC([N@H+]3CCCOCC3)CC2)cc1[N+](=O)[O-] ZINC000601440724 652582358 /nfs/dbraw/zinc/58/23/58/652582358.db2.gz WMLPGGCROHWYCN-UHFFFAOYSA-N 1 1 389.499 1.840 20 5 GDBDMO C[NH+]1CCN(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000803545994 654979432 /nfs/dbraw/zinc/97/94/32/654979432.db2.gz VFWLAGPUGYBJOC-UHFFFAOYSA-N 1 1 397.273 1.489 20 5 GDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc([N+](=O)[O-])c1F ZINC000831805400 654998153 /nfs/dbraw/zinc/99/81/53/654998153.db2.gz WMFPYZPFZYDQEM-GFCCVEGCSA-N 1 1 375.422 1.167 20 5 GDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cc([N+](=O)[O-])c1F ZINC000831805400 654998155 /nfs/dbraw/zinc/99/81/55/654998155.db2.gz WMFPYZPFZYDQEM-GFCCVEGCSA-N 1 1 375.422 1.167 20 5 GDBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)[C@@H]2C1 ZINC000813741831 655244887 /nfs/dbraw/zinc/24/48/87/655244887.db2.gz VHVODUBQFQOCIW-NOZJJQNGSA-N 1 1 390.259 1.682 20 5 GDBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856256811 655711020 /nfs/dbraw/zinc/71/10/20/655711020.db2.gz OJQZYFUILCQOAI-LLVKDONJSA-N 1 1 399.245 1.424 20 5 GDBDMO Cn1cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c(Br)n1 ZINC000858139439 655744791 /nfs/dbraw/zinc/74/47/91/655744791.db2.gz USWWUSQKLDCIDH-CHWSQXEVSA-N 1 1 385.218 1.275 20 5 GDBDMO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000859915218 655791530 /nfs/dbraw/zinc/79/15/30/655791530.db2.gz XUXKMOYAFJMFPK-NSHDSACASA-N 1 1 389.861 1.439 20 5 GDBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865201785 655914569 /nfs/dbraw/zinc/91/45/69/655914569.db2.gz FTDRDFGQOMUSLV-GFCCVEGCSA-N 1 1 399.289 1.652 20 5 GDBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC1CC([NH+]2CCOCC2)C1 ZINC000869103352 656179372 /nfs/dbraw/zinc/17/93/72/656179372.db2.gz YAYNCCHVOFEHAH-UHFFFAOYSA-N 1 1 398.257 1.879 20 5 GDBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000879355715 656789367 /nfs/dbraw/zinc/78/93/67/656789367.db2.gz KLFROEYOLVVAQA-UHFFFAOYSA-N 1 1 385.262 1.563 20 5 GDBDMO CN1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000888982457 657963899 /nfs/dbraw/zinc/96/38/99/657963899.db2.gz SLJDJMPOEMWPBW-UHFFFAOYSA-N 1 1 399.289 1.606 20 5 GDBDMO CON(C)C(=O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000895046150 658652998 /nfs/dbraw/zinc/65/29/98/658652998.db2.gz BXYGFHZNXRBJQL-UHFFFAOYSA-N 1 1 379.154 1.309 20 5 GDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896540617 658786925 /nfs/dbraw/zinc/78/69/25/658786925.db2.gz GFNIPWPSVURRDC-JOYOIKCWSA-N 1 1 386.250 1.116 20 5 GDBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164737537 720734366 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